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: -1513.05, 112.704, 162.527, 79.9534, 688.983, -652.18, -1913.5, 6.03703, 2.4186 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.799118E-03,0.492351,1.30849,42.8085,5.140065E-03,0.463238 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 54, 22 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.618 -7.239 -19.743 1.00 32.31 ATOM 2 CB MET 1 2.088 -6.982 -21.818 1.00 71.45 ATOM 3 HB1 MET 1 1.145 -7.346 -22.201 1.00 37.35 ATOM 4 HB2 MET 1 2.878 -7.281 -22.492 1.00 53.22 ATOM 5 CG MET 1 2.036 -5.462 -21.798 1.00 23.03 ATOM 6 HG1 MET 1 2.986 -5.084 -21.443 1.00 37.35 ATOM 7 HG2 MET 1 1.252 -5.149 -21.125 1.00 23.51 ATOM 8 SD MET 1 1.707 -4.759 -23.428 1.00 40.20 ATOM 9 CE MET 1 0.093 -5.457 -23.792 1.00 14.25 ATOM 10 HE1 MET 1 0.160 -6.534 -23.801 1.00 23.35 ATOM 11 HE2 MET 1 -0.239 -5.110 -24.760 1.00 32.03 ATOM 12 HE3 MET 1 -0.614 -5.145 -23.037 1.00 62.43 ATOM 13 C MET 1 2.163 -9.140 -20.558 1.00 10.33 ATOM 14 O MET 1 3.106 -9.869 -20.856 1.00 34.21 ATOM 15 N MET 1 3.699 -7.261 -19.943 1.00 12.12 ATOM 16 HT1 MET 1 3.868 -7.707 -19.020 1.00 37.35 ATOM 17 HT2 MET 1 3.779 -6.230 -19.829 1.00 37.35 ATOM 18 HT3 MET 1 4.430 -7.581 -20.609 1.00 37.35 ATOM 19 CA MET 1 2.344 -7.621 -20.446 1.00 13.53 ATOM 20 N GLY 2 0.943 -9.608 -20.313 1.00 32.21 ATOM 21 HN GLY 2 0.246 -8.988 -20.006 1.00 37.35 ATOM 22 CA GLY 2 0.625 -11.020 -20.492 1.00 65.20 ATOM 23 HA1 GLY 2 1.091 -11.368 -21.404 1.00 37.35 ATOM 24 HA2 GLY 2 -0.444 -11.116 -20.600 1.00 61.44 ATOM 25 C GLY 2 1.078 -11.913 -19.341 1.00 63.30 ATOM 26 O GLY 2 0.255 -12.400 -18.564 1.00 60.50 ATOM 27 N HIS 3 2.387 -12.127 -19.221 1.00 42.13 ATOM 28 HN HIS 3 3.008 -11.627 -19.798 1.00 37.35 ATOM 29 CA HIS 3 2.923 -13.074 -18.237 1.00 14.13 ATOM 30 HA HIS 3 2.313 -13.966 -18.283 1.00 54.24 ATOM 31 CB HIS 3 4.365 -13.459 -18.593 1.00 0.44 ATOM 32 HB1 HIS 3 4.739 -14.159 -17.857 1.00 37.35 ATOM 33 HB2 HIS 3 4.984 -12.574 -18.586 1.00 63.31 ATOM 34 CG HIS 3 4.488 -14.098 -19.942 1.00 74.02 ATOM 35 ND1 HIS 3 4.547 -15.462 -20.126 1.00 40.44 ATOM 36 HD1 HIS 3 4.521 -16.138 -19.415 1.00 73.45 ATOM 37 CD2 HIS 3 4.547 -13.555 -21.179 1.00 42.53 ATOM 38 HD2 HIS 3 4.523 -12.500 -21.418 1.00 51.44 ATOM 39 CE1 HIS 3 4.638 -15.728 -21.412 1.00 31.21 ATOM 40 HE1 HIS 3 4.699 -16.714 -21.850 1.00 13.21 ATOM 41 NE2 HIS 3 4.639 -14.590 -22.073 1.00 23.14 ATOM 42 HE2 HIS 3 4.880 -14.495 -23.021 1.00 37.35 ATOM 43 C HIS 3 2.857 -12.520 -16.805 1.00 13.42 ATOM 44 O HIS 3 3.737 -11.776 -16.368 1.00 11.23 ATOM 45 N HIS 4 1.791 -12.867 -16.090 1.00 21.22 ATOM 46 HN HIS 4 1.070 -13.370 -16.527 1.00 37.35 ATOM 47 CA HIS 4 1.657 -12.516 -14.674 1.00 34.33 ATOM 48 HA HIS 4 2.421 -11.787 -14.435 1.00 42.41 ATOM 49 CB HIS 4 0.278 -11.905 -14.404 1.00 11.13 ATOM 50 HB1 HIS 4 0.237 -11.559 -13.381 1.00 37.35 ATOM 51 HB2 HIS 4 -0.479 -12.661 -14.552 1.00 33.10 ATOM 52 CG HIS 4 -0.048 -10.747 -15.298 1.00 34.41 ATOM 53 ND1 HIS 4 -0.839 -10.867 -16.420 1.00 32.41 ATOM 54 HD1 HIS 4 -1.251 -11.696 -16.745 1.00 24.13 ATOM 55 CD2 HIS 4 0.316 -9.442 -15.238 1.00 13.54 ATOM 56 HD2 HIS 4 0.940 -8.984 -14.484 1.00 61.32 ATOM 57 CE1 HIS 4 -0.947 -9.695 -17.009 1.00 20.33 ATOM 58 HE1 HIS 4 -1.508 -9.491 -17.910 1.00 42.13 ATOM 59 NE2 HIS 4 -0.258 -8.811 -16.316 1.00 22.04 ATOM 60 HE2 HIS 4 0.013 -7.931 -16.658 1.00 37.35 ATOM 61 C HIS 4 1.870 -13.763 -13.802 1.00 44.54 ATOM 62 O HIS 4 1.280 -14.811 -14.053 1.00 73.32 ATOM 63 N HIS 5 2.703 -13.644 -12.774 1.00 22.44 ATOM 64 HN HIS 5 3.061 -12.755 -12.553 1.00 37.35 ATOM 65 CA HIS 5 3.095 -14.803 -11.956 1.00 24.35 ATOM 66 HA HIS 5 2.965 -15.690 -12.559 1.00 70.13 ATOM 67 CB HIS 5 4.578 -14.683 -11.575 1.00 12.15 ATOM 68 HB1 HIS 5 5.177 -14.714 -12.474 1.00 37.35 ATOM 69 HB2 HIS 5 4.849 -15.515 -10.941 1.00 40.14 ATOM 70 CG HIS 5 4.907 -13.417 -10.844 1.00 1.41 ATOM 71 ND1 HIS 5 5.379 -12.287 -11.472 1.00 12.03 ATOM 72 HD1 HIS 5 5.572 -12.198 -12.435 1.00 45.43 ATOM 73 CD2 HIS 5 4.818 -13.102 -9.529 1.00 20.21 ATOM 74 HD2 HIS 5 4.476 -13.752 -8.736 1.00 25.10 ATOM 75 CE1 HIS 5 5.563 -11.335 -10.583 1.00 35.53 ATOM 76 HE1 HIS 5 5.925 -10.340 -10.793 1.00 53.51 ATOM 77 NE2 HIS 5 5.231 -11.798 -9.395 1.00 20.41 ATOM 78 HE2 HIS 5 5.051 -11.235 -8.615 1.00 37.35 ATOM 79 C HIS 5 2.230 -14.949 -10.690 1.00 54.13 ATOM 80 O HIS 5 2.661 -15.552 -9.707 1.00 60.44 ATOM 81 N HIS 6 1.002 -14.429 -10.726 1.00 12.11 ATOM 82 HN HIS 6 0.679 -14.027 -11.559 1.00 37.35 ATOM 83 CA HIS 6 0.120 -14.463 -9.549 1.00 42.24 ATOM 84 HA HIS 6 0.664 -14.010 -8.732 1.00 50.51 ATOM 85 CB HIS 6 -1.160 -13.644 -9.786 1.00 74.14 ATOM 86 HB1 HIS 6 -1.874 -13.869 -9.006 1.00 37.35 ATOM 87 HB2 HIS 6 -1.585 -13.916 -10.741 1.00 4.12 ATOM 88 CG HIS 6 -0.935 -12.162 -9.787 1.00 31.43 ATOM 89 ND1 HIS 6 -0.723 -11.437 -8.635 1.00 25.40 ATOM 90 HD1 HIS 6 -0.686 -11.803 -7.722 1.00 70.14 ATOM 91 CD2 HIS 6 -0.906 -11.265 -10.801 1.00 53.52 ATOM 92 HD2 HIS 6 -1.035 -11.480 -11.852 1.00 34.42 ATOM 93 CE1 HIS 6 -0.574 -10.166 -8.937 1.00 1.51 ATOM 94 HE1 HIS 6 -0.399 -9.367 -8.233 1.00 20.30 ATOM 95 NE2 HIS 6 -0.680 -10.029 -10.243 1.00 13.42 ATOM 96 HE2 HIS 6 -0.839 -9.173 -10.696 1.00 37.35 ATOM 97 C HIS 6 -0.245 -15.901 -9.135 1.00 1.24 ATOM 98 O HIS 6 -1.154 -16.513 -9.699 1.00 2.32 ATOM 99 N HIS 7 0.498 -16.430 -8.159 1.00 33.33 ATOM 100 HN HIS 7 1.270 -15.919 -7.833 1.00 37.35 ATOM 101 CA HIS 7 0.220 -17.743 -7.555 1.00 64.44 ATOM 102 HA HIS 7 0.976 -17.911 -6.801 1.00 63.12 ATOM 103 CB HIS 7 -1.151 -17.720 -6.866 1.00 32.44 ATOM 104 HB1 HIS 7 -1.336 -18.680 -6.403 1.00 37.35 ATOM 105 HB2 HIS 7 -1.917 -17.525 -7.602 1.00 72.11 ATOM 106 CG HIS 7 -1.249 -16.667 -5.805 1.00 0.40 ATOM 107 ND1 HIS 7 -2.246 -15.717 -5.771 1.00 42.03 ATOM 108 HD1 HIS 7 -2.983 -15.635 -6.412 1.00 31.40 ATOM 109 CD2 HIS 7 -0.460 -16.416 -4.732 1.00 10.35 ATOM 110 HD2 HIS 7 0.422 -16.968 -4.440 1.00 33.55 ATOM 111 CE1 HIS 7 -2.066 -14.926 -4.732 1.00 54.11 ATOM 112 HE1 HIS 7 -2.695 -14.093 -4.455 1.00 51.35 ATOM 113 NE2 HIS 7 -0.993 -15.329 -4.087 1.00 35.32 ATOM 114 HE2 HIS 7 -0.614 -14.892 -3.293 1.00 37.35 ATOM 115 C HIS 7 0.302 -18.895 -8.572 1.00 43.31 ATOM 116 O HIS 7 -0.387 -19.908 -8.438 1.00 55.22 ATOM 117 N HIS 8 1.162 -18.745 -9.577 1.00 12.34 ATOM 118 HN HIS 8 1.657 -17.901 -9.657 1.00 37.35 ATOM 119 CA HIS 8 1.400 -19.813 -10.557 1.00 50.33 ATOM 120 HA HIS 8 0.553 -20.487 -10.521 1.00 14.33 ATOM 121 CB HIS 8 1.512 -19.240 -11.976 1.00 4.42 ATOM 122 HB1 HIS 8 1.765 -20.038 -12.661 1.00 37.35 ATOM 123 HB2 HIS 8 2.293 -18.494 -11.998 1.00 71.33 ATOM 124 CG HIS 8 0.252 -18.598 -12.467 1.00 12.13 ATOM 125 ND1 HIS 8 -1.002 -19.124 -12.239 1.00 64.41 ATOM 126 HD1 HIS 8 -1.200 -19.950 -11.741 1.00 52.23 ATOM 127 CD2 HIS 8 0.055 -17.467 -13.181 1.00 43.45 ATOM 128 HD2 HIS 8 0.820 -16.793 -13.536 1.00 54.41 ATOM 129 CE1 HIS 8 -1.910 -18.348 -12.792 1.00 20.22 ATOM 130 HE1 HIS 8 -2.978 -18.512 -12.771 1.00 41.45 ATOM 131 NE2 HIS 8 -1.297 -17.336 -13.369 1.00 45.34 ATOM 132 HE2 HIS 8 -1.719 -16.713 -13.997 1.00 37.35 ATOM 133 C HIS 8 2.668 -20.608 -10.206 1.00 30.32 ATOM 134 O HIS 8 3.699 -20.029 -9.842 1.00 13.21 ATOM 135 N SER 9 2.582 -21.933 -10.309 1.00 44.23 ATOM 136 HN SER 9 1.737 -22.331 -10.607 1.00 37.35 ATOM 137 CA SER 9 3.710 -22.819 -9.985 1.00 20.10 ATOM 138 HA SER 9 4.211 -22.407 -9.118 1.00 12.22 ATOM 139 CB SER 9 3.206 -24.233 -9.635 1.00 33.34 ATOM 140 HB1 SER 9 2.536 -24.172 -8.789 1.00 37.35 ATOM 141 HB2 SER 9 4.049 -24.861 -9.379 1.00 72.11 ATOM 142 OG SER 9 2.509 -24.833 -10.722 1.00 63.12 ATOM 143 HG SER 9 3.024 -25.585 -11.052 1.00 12.11 ATOM 144 C SER 9 4.720 -22.897 -11.140 1.00 71.34 ATOM 145 O SER 9 4.414 -23.409 -12.222 1.00 71.43 ATOM 146 N HIS 10 5.920 -22.370 -10.910 1.00 4.44 ATOM 147 HN HIS 10 6.087 -21.930 -10.052 1.00 37.35 ATOM 148 CA HIS 10 7.001 -22.431 -11.899 1.00 3.42 ATOM 149 HA HIS 10 6.552 -22.536 -12.879 1.00 41.22 ATOM 150 CB HIS 10 7.825 -21.137 -11.865 1.00 21.35 ATOM 151 HB1 HIS 10 8.256 -21.017 -10.881 1.00 37.35 ATOM 152 HB2 HIS 10 7.174 -20.298 -12.069 1.00 73.30 ATOM 153 CG HIS 10 8.942 -21.106 -12.865 1.00 73.42 ATOM 154 ND1 HIS 10 10.222 -21.524 -12.573 1.00 50.34 ATOM 155 HD1 HIS 10 10.528 -21.869 -11.705 1.00 32.15 ATOM 156 CD2 HIS 10 8.968 -20.707 -14.159 1.00 41.42 ATOM 157 HD2 HIS 10 8.137 -20.317 -14.728 1.00 44.32 ATOM 158 CE1 HIS 10 10.984 -21.384 -13.637 1.00 73.24 ATOM 159 HE1 HIS 10 12.033 -21.630 -13.697 1.00 34.42 ATOM 160 NE2 HIS 10 10.251 -20.892 -14.611 1.00 0.31 ATOM 161 HE2 HIS 10 10.596 -20.593 -15.482 1.00 37.35 ATOM 162 C HIS 10 7.908 -23.644 -11.636 1.00 13.33 ATOM 163 O HIS 10 8.466 -23.776 -10.545 1.00 14.11 ATOM 164 N MET 11 8.051 -24.512 -12.649 1.00 70.33 ATOM 165 HN MET 11 7.615 -24.307 -13.505 1.00 37.35 ATOM 166 CA MET 11 8.810 -25.775 -12.529 1.00 20.44 ATOM 167 HA MET 11 8.962 -26.157 -13.529 1.00 40.53 ATOM 168 CB MET 11 10.186 -25.541 -11.864 1.00 3.34 ATOM 169 HB1 MET 11 10.029 -25.267 -10.831 1.00 37.35 ATOM 170 HB2 MET 11 10.680 -24.723 -12.368 1.00 34.32 ATOM 171 CG MET 11 11.115 -26.751 -11.899 1.00 24.24 ATOM 172 HG1 MET 11 11.421 -26.924 -12.921 1.00 37.35 ATOM 173 HG2 MET 11 10.578 -27.614 -11.537 1.00 34.15 ATOM 174 SD MET 11 12.594 -26.538 -10.888 1.00 54.44 ATOM 175 CE MET 11 11.895 -26.608 -9.237 1.00 71.11 ATOM 176 HE1 MET 11 11.422 -27.567 -9.088 1.00 30.43 ATOM 177 HE2 MET 11 11.163 -25.823 -9.122 1.00 43.01 ATOM 178 HE3 MET 11 12.679 -26.475 -8.506 1.00 60.44 ATOM 179 C MET 11 7.999 -26.810 -11.724 1.00 71.23 ATOM 180 O MET 11 7.294 -26.445 -10.788 1.00 2.14 ATOM 181 N PRO 12 8.050 -28.112 -12.099 1.00 21.10 ATOM 182 CA PRO 12 7.348 -29.181 -11.355 1.00 12.40 ATOM 183 HA PRO 12 6.276 -29.070 -11.445 1.00 40.25 ATOM 184 CB PRO 12 7.787 -30.467 -12.077 1.00 42.52 ATOM 185 HB1 PRO 12 6.965 -31.169 -12.102 1.00 37.35 ATOM 186 HB2 PRO 12 8.628 -30.909 -11.560 1.00 44.15 ATOM 187 CG PRO 12 8.164 -30.021 -13.450 1.00 1.34 ATOM 188 HG1 PRO 12 7.287 -29.987 -14.081 1.00 37.35 ATOM 189 HG2 PRO 12 8.900 -30.696 -13.868 1.00 72.10 ATOM 190 CD PRO 12 8.748 -28.642 -13.290 1.00 72.54 ATOM 191 HD1 PRO 12 8.539 -28.038 -14.161 1.00 37.35 ATOM 192 HD2 PRO 12 9.814 -28.700 -13.118 1.00 21.42 ATOM 193 C PRO 12 7.715 -29.246 -9.854 1.00 50.12 ATOM 194 O PRO 12 8.476 -30.117 -9.421 1.00 43.13 ATOM 195 N ASP 13 7.179 -28.310 -9.068 1.00 13.32 ATOM 196 HN ASP 13 6.652 -27.588 -9.479 1.00 37.35 ATOM 197 CA ASP 13 7.363 -28.305 -7.613 1.00 13.41 ATOM 198 HA ASP 13 8.163 -28.994 -7.375 1.00 4.23 ATOM 199 CB ASP 13 7.764 -26.901 -7.135 1.00 34.43 ATOM 200 HB1 ASP 13 8.664 -26.601 -7.654 1.00 37.35 ATOM 201 HB2 ASP 13 7.971 -26.940 -6.075 1.00 72.45 ATOM 202 CG ASP 13 6.700 -25.835 -7.373 1.00 4.14 ATOM 203 OD1 ASP 13 6.768 -24.779 -6.707 1.00 42.12 ATOM 204 OD2 ASP 13 5.792 -26.042 -8.205 1.00 23.32 ATOM 205 C ASP 13 6.082 -28.781 -6.908 1.00 75.43 ATOM 206 O ASP 13 6.115 -29.266 -5.777 1.00 52.32 ATOM 207 N HIS 14 4.952 -28.621 -7.599 1.00 41.02 ATOM 208 HN HIS 14 4.984 -28.098 -8.430 1.00 37.35 ATOM 209 CA HIS 14 3.663 -29.159 -7.150 1.00 14.44 ATOM 210 HA HIS 14 3.445 -28.742 -6.177 1.00 11.52 ATOM 211 CB HIS 14 2.562 -28.733 -8.138 1.00 74.03 ATOM 212 HB1 HIS 14 2.789 -29.144 -9.113 1.00 37.35 ATOM 213 HB2 HIS 14 2.548 -27.656 -8.208 1.00 50.44 ATOM 214 CG HIS 14 1.179 -29.182 -7.765 1.00 15.53 ATOM 215 ND1 HIS 14 0.255 -28.357 -7.159 1.00 12.53 ATOM 216 HD1 HIS 14 0.400 -27.419 -6.906 1.00 51.44 ATOM 217 CD2 HIS 14 0.554 -30.372 -7.939 1.00 62.04 ATOM 218 HD2 HIS 14 0.982 -31.260 -8.378 1.00 61.20 ATOM 219 CE1 HIS 14 -0.871 -29.018 -6.977 1.00 55.32 ATOM 220 HE1 HIS 14 -1.767 -28.624 -6.521 1.00 25.20 ATOM 221 NE2 HIS 14 -0.715 -30.240 -7.439 1.00 14.03 ATOM 222 HE2 HIS 14 -1.438 -30.895 -7.548 1.00 37.35 ATOM 223 C HIS 14 3.712 -30.696 -7.035 1.00 64.15 ATOM 224 O HIS 14 2.898 -31.304 -6.337 1.00 70.41 ATOM 225 N GLY 15 4.664 -31.311 -7.737 1.00 15.34 ATOM 226 HN GLY 15 5.276 -30.773 -8.279 1.00 37.35 ATOM 227 CA GLY 15 4.814 -32.763 -7.710 1.00 42.43 ATOM 228 HA1 GLY 15 4.547 -33.124 -6.726 1.00 37.35 ATOM 229 HA2 GLY 15 5.849 -33.008 -7.899 1.00 12.52 ATOM 230 C GLY 15 3.950 -33.465 -8.745 1.00 54.12 ATOM 231 O GLY 15 4.107 -33.241 -9.948 1.00 12.43 ATOM 232 N ASP 16 3.047 -34.321 -8.283 1.00 55.02 ATOM 233 HN ASP 16 3.018 -34.512 -7.319 1.00 37.35 ATOM 234 CA ASP 16 2.110 -35.008 -9.168 1.00 13.23 ATOM 235 HA ASP 16 2.674 -35.429 -9.989 1.00 33.41 ATOM 236 CB ASP 16 1.422 -36.140 -8.402 1.00 63.43 ATOM 237 HB1 ASP 16 0.848 -36.742 -9.093 1.00 37.35 ATOM 238 HB2 ASP 16 0.757 -35.718 -7.660 1.00 13.53 ATOM 239 CG ASP 16 2.433 -37.036 -7.700 1.00 13.14 ATOM 240 OD1 ASP 16 2.623 -36.872 -6.476 1.00 41.24 ATOM 241 OD2 ASP 16 3.057 -37.880 -8.378 1.00 0.33 ATOM 242 C ASP 16 1.075 -34.016 -9.730 1.00 74.21 ATOM 243 O ASP 16 0.168 -33.574 -9.018 1.00 14.23 ATOM 244 N TRP 17 1.234 -33.656 -11.005 1.00 35.45 ATOM 245 HN TRP 17 1.947 -34.082 -11.530 1.00 37.35 ATOM 246 CA TRP 17 0.387 -32.642 -11.651 1.00 15.25 ATOM 247 HA TRP 17 0.559 -31.707 -11.136 1.00 22.32 ATOM 248 CB TRP 17 0.796 -32.468 -13.122 1.00 5.23 ATOM 249 HB1 TRP 17 0.095 -31.806 -13.608 1.00 37.35 ATOM 250 HB2 TRP 17 0.769 -33.431 -13.612 1.00 34.14 ATOM 251 CG TRP 17 2.176 -31.895 -13.302 1.00 35.24 ATOM 252 CD1 TRP 17 3.367 -32.504 -13.019 1.00 73.12 ATOM 253 HD1 TRP 17 3.459 -33.501 -12.613 1.00 4.22 ATOM 254 CD2 TRP 17 2.505 -30.597 -13.817 1.00 71.12 ATOM 255 NE1 TRP 17 4.411 -31.666 -13.322 1.00 64.41 ATOM 256 HE1 TRP 17 5.362 -31.878 -13.206 1.00 54.15 ATOM 257 CE2 TRP 17 3.909 -30.491 -13.815 1.00 54.34 ATOM 258 CE3 TRP 17 1.749 -29.515 -14.282 1.00 25.42 ATOM 259 HE3 TRP 17 0.669 -29.556 -14.301 1.00 42.34 ATOM 260 CZ2 TRP 17 4.571 -29.347 -14.253 1.00 33.45 ATOM 261 HZ2 TRP 17 5.648 -29.273 -14.247 1.00 2.32 ATOM 262 CZ3 TRP 17 2.409 -28.380 -14.717 1.00 30.13 ATOM 263 HZ3 TRP 17 1.842 -27.534 -15.077 1.00 41.32 ATOM 264 CH2 TRP 17 3.807 -28.305 -14.702 1.00 44.13 ATOM 265 HH2 TRP 17 4.281 -27.397 -15.049 1.00 63.35 ATOM 266 C TRP 17 -1.113 -32.978 -11.554 1.00 10.34 ATOM 267 O TRP 17 -1.860 -32.304 -10.842 1.00 44.34 ATOM 268 N THR 18 -1.551 -34.017 -12.267 1.00 34.44 ATOM 269 HN THR 18 -0.908 -34.545 -12.788 1.00 37.35 ATOM 270 CA THR 18 -2.974 -34.391 -12.290 1.00 63.21 ATOM 271 HA THR 18 -3.547 -33.502 -12.057 1.00 5.42 ATOM 272 CB THR 18 -3.417 -34.882 -13.693 1.00 33.21 ATOM 273 HB THR 18 -4.450 -35.197 -13.639 1.00 12.30 ATOM 274 OG1 THR 18 -2.613 -36.000 -14.105 1.00 72.34 ATOM 275 HG1 THR 18 -2.927 -36.325 -14.960 1.00 25.54 ATOM 276 CG2 THR 18 -3.307 -33.763 -14.727 1.00 71.02 ATOM 277 HG21 THR 18 -3.968 -32.951 -14.453 1.00 41.03 ATOM 278 HG22 THR 18 -3.587 -34.141 -15.700 1.00 72.15 ATOM 279 HG23 THR 18 -2.290 -33.402 -14.761 1.00 41.23 ATOM 280 C THR 18 -3.307 -35.465 -11.240 1.00 21.02 ATOM 281 O THR 18 -3.703 -35.144 -10.118 1.00 31.31 ATOM 282 N TYR 19 -3.139 -36.740 -11.602 1.00 44.13 ATOM 283 HN TYR 19 -2.783 -36.938 -12.494 1.00 37.35 ATOM 284 CA TYR 19 -3.468 -37.857 -10.703 1.00 43.55 ATOM 285 HA TYR 19 -3.444 -37.483 -9.689 1.00 74.41 ATOM 286 CB TYR 19 -4.880 -38.397 -10.999 1.00 63.13 ATOM 287 HB1 TYR 19 -5.090 -39.220 -10.328 1.00 37.35 ATOM 288 HB2 TYR 19 -4.913 -38.759 -12.018 1.00 44.54 ATOM 289 CG TYR 19 -5.985 -37.368 -10.835 1.00 44.41 ATOM 290 CD1 TYR 19 -6.499 -36.686 -11.934 1.00 22.14 ATOM 291 HD1 TYR 19 -6.107 -36.903 -12.918 1.00 43.03 ATOM 292 CD2 TYR 19 -6.506 -37.070 -9.580 1.00 61.12 ATOM 293 HD2 TYR 19 -6.119 -37.588 -8.714 1.00 15.21 ATOM 294 CE1 TYR 19 -7.495 -35.739 -11.786 1.00 74.05 ATOM 295 HE1 TYR 19 -7.880 -35.221 -12.652 1.00 1.50 ATOM 296 CE2 TYR 19 -7.504 -36.127 -9.425 1.00 33.11 ATOM 297 HE2 TYR 19 -7.896 -35.913 -8.441 1.00 41.04 ATOM 298 CZ TYR 19 -7.996 -35.465 -10.529 1.00 74.04 ATOM 299 OH TYR 19 -8.981 -34.513 -10.375 1.00 35.01 ATOM 300 HH TYR 19 -9.675 -34.658 -11.030 1.00 45.42 ATOM 301 C TYR 19 -2.446 -38.999 -10.826 1.00 61.23 ATOM 302 O TYR 19 -2.591 -39.887 -11.668 1.00 33.50 ATOM 303 N GLU 20 -1.408 -38.962 -9.995 1.00 11.04 ATOM 304 HN GLU 20 -1.318 -38.209 -9.377 1.00 37.35 ATOM 305 CA GLU 20 -0.394 -40.023 -9.970 1.00 52.53 ATOM 306 HA GLU 20 -0.661 -40.758 -10.718 1.00 64.23 ATOM 307 CB GLU 20 0.993 -39.455 -10.306 1.00 34.11 ATOM 308 HB1 GLU 20 1.732 -40.232 -10.159 1.00 37.35 ATOM 309 HB2 GLU 20 1.208 -38.640 -9.629 1.00 10.55 ATOM 310 CG GLU 20 1.131 -38.932 -11.734 1.00 70.54 ATOM 311 HG1 GLU 20 2.107 -38.481 -11.845 1.00 37.35 ATOM 312 HG2 GLU 20 0.372 -38.181 -11.903 1.00 24.22 ATOM 313 CD GLU 20 0.978 -40.025 -12.785 1.00 74.52 ATOM 314 OE1 GLU 20 -0.085 -40.093 -13.440 1.00 70.33 ATOM 315 OE2 GLU 20 1.924 -40.822 -12.967 1.00 62.14 ATOM 316 C GLU 20 -0.354 -40.709 -8.599 1.00 63.21 ATOM 317 O GLU 20 -0.284 -40.048 -7.566 1.00 74.40 ATOM 318 N GLU 21 -0.401 -42.038 -8.603 1.00 63.13 ATOM 319 HN GLU 21 -0.470 -42.505 -9.460 1.00 37.35 ATOM 320 CA GLU 21 -0.346 -42.822 -7.364 1.00 32.30 ATOM 321 HA GLU 21 -1.095 -42.433 -6.688 1.00 32.02 ATOM 322 CB GLU 21 -0.645 -44.307 -7.649 1.00 12.15 ATOM 323 HB1 GLU 21 -0.568 -44.858 -6.720 1.00 37.35 ATOM 324 HB2 GLU 21 0.101 -44.683 -8.334 1.00 22.50 ATOM 325 CG GLU 21 -2.026 -44.588 -8.254 1.00 1.32 ATOM 326 HG1 GLU 21 -2.776 -44.159 -7.604 1.00 37.35 ATOM 327 HG2 GLU 21 -2.169 -45.659 -8.297 1.00 41.22 ATOM 328 CD GLU 21 -2.217 -44.025 -9.660 1.00 55.00 ATOM 329 OE1 GLU 21 -3.332 -43.555 -9.972 1.00 42.44 ATOM 330 OE2 GLU 21 -1.253 -44.044 -10.458 1.00 75.54 ATOM 331 C GLU 21 1.037 -42.689 -6.709 1.00 23.24 ATOM 332 O GLU 21 1.162 -42.613 -5.485 1.00 40.52 ATOM 333 N GLN 22 2.071 -42.678 -7.552 1.00 64.24 ATOM 334 HN GLN 22 1.892 -42.772 -8.511 1.00 37.35 ATOM 335 CA GLN 22 3.459 -42.522 -7.105 1.00 14.11 ATOM 336 HA GLN 22 3.510 -41.620 -6.510 1.00 11.03 ATOM 337 CB GLN 22 3.887 -43.721 -6.227 1.00 43.45 ATOM 338 HB1 GLN 22 3.351 -43.665 -5.288 1.00 37.35 ATOM 339 HB2 GLN 22 4.945 -43.636 -6.020 1.00 64.43 ATOM 340 CG GLN 22 3.635 -45.111 -6.835 1.00 65.30 ATOM 341 HG1 GLN 22 2.602 -45.162 -7.153 1.00 37.35 ATOM 342 HG2 GLN 22 3.806 -45.855 -6.072 1.00 44.52 ATOM 343 CD GLN 22 4.524 -45.441 -8.028 1.00 74.15 ATOM 344 OE1 GLN 22 5.625 -45.953 -7.877 1.00 20.22 ATOM 345 NE2 GLN 22 4.045 -45.164 -9.226 1.00 71.42 ATOM 346 HE21 GLN 22 3.152 -44.761 -9.289 1.00 71.40 ATOM 347 HE22 GLN 22 4.606 -45.362 -10.001 1.00 31.25 ATOM 348 C GLN 22 4.413 -42.366 -8.300 1.00 72.14 ATOM 349 O GLN 22 3.984 -42.354 -9.455 1.00 42.12 ATOM 350 N PHE 23 5.706 -42.246 -8.016 1.00 51.51 ATOM 351 HN PHE 23 5.980 -42.122 -7.084 1.00 37.35 ATOM 352 CA PHE 23 6.734 -42.286 -9.059 1.00 34.24 ATOM 353 HA PHE 23 6.303 -42.812 -9.903 1.00 62.22 ATOM 354 CB PHE 23 7.124 -40.870 -9.526 1.00 12.34 ATOM 355 HB1 PHE 23 6.328 -40.482 -10.148 1.00 37.35 ATOM 356 HB2 PHE 23 8.024 -40.934 -10.119 1.00 72.51 ATOM 357 CG PHE 23 7.375 -39.872 -8.421 1.00 42.42 ATOM 358 CD1 PHE 23 8.546 -39.910 -7.678 1.00 41.43 ATOM 359 HD1 PHE 23 9.280 -40.676 -7.884 1.00 72.54 ATOM 360 CD2 PHE 23 6.443 -38.880 -8.142 1.00 41.33 ATOM 361 HD2 PHE 23 5.526 -38.838 -8.711 1.00 23.13 ATOM 362 CE1 PHE 23 8.781 -38.983 -6.682 1.00 1.43 ATOM 363 HE1 PHE 23 9.698 -39.026 -6.111 1.00 61.13 ATOM 364 CE2 PHE 23 6.675 -37.952 -7.144 1.00 65.20 ATOM 365 HE2 PHE 23 5.941 -37.187 -6.937 1.00 62.53 ATOM 366 CZ PHE 23 7.845 -38.004 -6.414 1.00 23.04 ATOM 367 HZ PHE 23 8.028 -37.278 -5.635 1.00 10.43 ATOM 368 C PHE 23 7.962 -43.092 -8.596 1.00 50.24 ATOM 369 O PHE 23 8.279 -43.146 -7.404 1.00 15.51 ATOM 370 N LYS 24 8.649 -43.702 -9.561 1.00 3.41 ATOM 371 HN LYS 24 8.433 -43.485 -10.493 1.00 37.35 ATOM 372 CA LYS 24 9.718 -44.683 -9.302 1.00 14.11 ATOM 373 HA LYS 24 9.260 -45.545 -8.840 1.00 70.11 ATOM 374 CB LYS 24 10.336 -45.124 -10.641 1.00 74.40 ATOM 375 HB1 LYS 24 10.769 -44.259 -11.125 1.00 37.35 ATOM 376 HB2 LYS 24 9.550 -45.515 -11.273 1.00 14.43 ATOM 377 CG LYS 24 11.420 -46.192 -10.513 1.00 55.11 ATOM 378 HG1 LYS 24 12.152 -45.859 -9.790 1.00 37.35 ATOM 379 HG2 LYS 24 11.900 -46.318 -11.473 1.00 35.42 ATOM 380 CD LYS 24 10.862 -47.543 -10.065 1.00 25.44 ATOM 381 HD1 LYS 24 10.275 -47.402 -9.167 1.00 37.35 ATOM 382 HD2 LYS 24 11.687 -48.209 -9.853 1.00 21.10 ATOM 383 CE LYS 24 9.983 -48.177 -11.138 1.00 43.41 ATOM 384 HE1 LYS 24 10.556 -48.266 -12.050 1.00 37.35 ATOM 385 HE2 LYS 24 9.130 -47.538 -11.312 1.00 34.22 ATOM 386 NZ LYS 24 9.497 -49.524 -10.741 1.00 42.43 ATOM 387 HZ1 LYS 24 8.921 -49.465 -9.878 1.00 32.44 ATOM 388 HZ2 LYS 24 10.301 -50.160 -10.566 1.00 23.12 ATOM 389 HZ3 LYS 24 8.916 -49.932 -11.502 1.00 53.42 ATOM 390 C LYS 24 10.829 -44.162 -8.365 1.00 34.21 ATOM 391 O LYS 24 11.484 -44.951 -7.681 1.00 24.01 ATOM 392 N GLN 25 11.031 -42.846 -8.328 1.00 70.24 ATOM 393 HN GLN 25 10.436 -42.258 -8.842 1.00 37.35 ATOM 394 CA GLN 25 12.134 -42.247 -7.555 1.00 2.23 ATOM 395 HA GLN 25 13.055 -42.540 -8.040 1.00 21.43 ATOM 396 CB GLN 25 12.040 -40.716 -7.586 1.00 5.41 ATOM 397 HB1 GLN 25 11.122 -40.417 -7.098 1.00 37.35 ATOM 398 HB2 GLN 25 12.006 -40.392 -8.617 1.00 74.54 ATOM 399 CG GLN 25 13.203 -39.999 -6.897 1.00 15.03 ATOM 400 HG1 GLN 25 13.189 -40.243 -5.844 1.00 37.35 ATOM 401 HG2 GLN 25 13.070 -38.933 -7.017 1.00 23.20 ATOM 402 CD GLN 25 14.563 -40.384 -7.469 1.00 31.31 ATOM 403 OE1 GLN 25 15.048 -39.775 -8.419 1.00 63.22 ATOM 404 NE2 GLN 25 15.191 -41.392 -6.894 1.00 2.32 ATOM 405 HE21 GLN 25 14.759 -41.836 -6.135 1.00 24.15 ATOM 406 HE22 GLN 25 16.062 -41.657 -7.254 1.00 41.45 ATOM 407 C GLN 25 12.182 -42.743 -6.095 1.00 5.02 ATOM 408 O GLN 25 13.265 -42.941 -5.546 1.00 22.33 ATOM 409 N LEU 26 11.020 -42.945 -5.469 1.00 14.33 ATOM 410 HN LEU 26 10.182 -42.740 -5.935 1.00 37.35 ATOM 411 CA LEU 26 10.975 -43.476 -4.095 1.00 65.31 ATOM 412 HA LEU 26 11.572 -42.821 -3.475 1.00 31.23 ATOM 413 CB LEU 26 9.535 -43.489 -3.555 1.00 4.13 ATOM 414 HB1 LEU 26 9.484 -44.200 -2.740 1.00 37.35 ATOM 415 HB2 LEU 26 8.882 -43.831 -4.345 1.00 1.21 ATOM 416 CG LEU 26 9.007 -42.139 -3.043 1.00 71.22 ATOM 417 HG LEU 26 9.025 -41.422 -3.852 1.00 54.43 ATOM 418 CD1 LEU 26 7.563 -42.272 -2.566 1.00 51.21 ATOM 419 HD11 LEU 26 7.511 -42.993 -1.762 1.00 2.12 ATOM 420 HD12 LEU 26 6.940 -42.601 -3.385 1.00 21.03 ATOM 421 HD13 LEU 26 7.210 -41.314 -2.211 1.00 13.13 ATOM 422 CD2 LEU 26 9.897 -41.608 -1.919 1.00 11.20 ATOM 423 HD21 LEU 26 9.945 -42.335 -1.121 1.00 32.52 ATOM 424 HD22 LEU 26 9.485 -40.684 -1.538 1.00 13.44 ATOM 425 HD23 LEU 26 10.891 -41.424 -2.302 1.00 54.43 ATOM 426 C LEU 26 11.573 -44.890 -4.020 1.00 75.20 ATOM 427 O LEU 26 12.259 -45.240 -3.058 1.00 52.42 ATOM 428 N TYR 27 11.311 -45.694 -5.043 1.00 23.31 ATOM 429 HN TYR 27 10.753 -45.361 -5.776 1.00 37.35 ATOM 430 CA TYR 27 11.837 -47.061 -5.114 1.00 32.54 ATOM 431 HA TYR 27 11.726 -47.509 -4.136 1.00 22.03 ATOM 432 CB TYR 27 11.032 -47.883 -6.133 1.00 10.41 ATOM 433 HB1 TYR 27 11.473 -48.866 -6.223 1.00 37.35 ATOM 434 HB2 TYR 27 11.071 -47.390 -7.094 1.00 51.52 ATOM 435 CG TYR 27 9.569 -48.056 -5.759 1.00 23.04 ATOM 436 CD1 TYR 27 9.120 -49.226 -5.156 1.00 61.25 ATOM 437 HD1 TYR 27 9.825 -50.021 -4.963 1.00 24.21 ATOM 438 CD2 TYR 27 8.640 -47.048 -5.999 1.00 30.54 ATOM 439 HD2 TYR 27 8.969 -46.131 -6.467 1.00 12.14 ATOM 440 CE1 TYR 27 7.793 -49.388 -4.806 1.00 61.12 ATOM 441 HE1 TYR 27 7.467 -50.306 -4.339 1.00 2.24 ATOM 442 CE2 TYR 27 7.311 -47.203 -5.651 1.00 63.41 ATOM 443 HE2 TYR 27 6.606 -46.409 -5.847 1.00 61.33 ATOM 444 CZ TYR 27 6.893 -48.374 -5.055 1.00 34.01 ATOM 445 OH TYR 27 5.570 -48.532 -4.703 1.00 64.25 ATOM 446 HH TYR 27 5.518 -48.827 -3.789 1.00 71.43 ATOM 447 C TYR 27 13.329 -47.063 -5.491 1.00 62.33 ATOM 448 O TYR 27 14.080 -47.961 -5.103 1.00 60.15 ATOM 449 N GLU 28 13.749 -46.053 -6.253 1.00 74.33 ATOM 450 HN GLU 28 13.103 -45.368 -6.531 1.00 37.35 ATOM 451 CA GLU 28 15.145 -45.936 -6.698 1.00 14.54 ATOM 452 HA GLU 28 15.651 -46.862 -6.456 1.00 25.00 ATOM 453 CB GLU 28 15.203 -45.731 -8.219 1.00 45.01 ATOM 454 HB1 GLU 28 16.236 -45.602 -8.513 1.00 37.35 ATOM 455 HB2 GLU 28 14.656 -44.832 -8.469 1.00 33.20 ATOM 456 CG GLU 28 14.619 -46.885 -9.026 1.00 34.12 ATOM 457 HG1 GLU 28 13.561 -46.959 -8.812 1.00 37.35 ATOM 458 HG2 GLU 28 15.108 -47.800 -8.724 1.00 1.12 ATOM 459 CD GLU 28 14.799 -46.707 -10.527 1.00 24.03 ATOM 460 OE1 GLU 28 14.679 -45.565 -11.018 1.00 65.12 ATOM 461 OE2 GLU 28 15.050 -47.713 -11.226 1.00 42.02 ATOM 462 C GLU 28 15.884 -44.784 -5.995 1.00 64.23 ATOM 463 O GLU 28 16.774 -44.164 -6.583 1.00 43.35 ATOM 464 N LEU 29 15.525 -44.500 -4.738 1.00 5.32 ATOM 465 HN LEU 29 14.754 -44.961 -4.344 1.00 37.35 ATOM 466 CA LEU 29 16.252 -43.495 -3.945 1.00 11.12 ATOM 467 HA LEU 29 16.110 -42.532 -4.419 1.00 53.35 ATOM 468 CB LEU 29 15.702 -43.434 -2.508 1.00 44.43 ATOM 469 HB1 LEU 29 16.359 -42.805 -1.922 1.00 37.35 ATOM 470 HB2 LEU 29 15.731 -44.433 -2.095 1.00 51.14 ATOM 471 CG LEU 29 14.269 -42.895 -2.364 1.00 52.01 ATOM 472 HG LEU 29 13.608 -43.482 -2.985 1.00 2.21 ATOM 473 CD1 LEU 29 13.785 -43.019 -0.920 1.00 73.42 ATOM 474 HD11 LEU 29 12.779 -42.631 -0.842 1.00 54.14 ATOM 475 HD12 LEU 29 14.439 -42.456 -0.270 1.00 3.13 ATOM 476 HD13 LEU 29 13.794 -44.058 -0.626 1.00 5.23 ATOM 477 CD2 LEU 29 14.190 -41.443 -2.830 1.00 44.15 ATOM 478 HD21 LEU 29 14.475 -41.384 -3.871 1.00 33.55 ATOM 479 HD22 LEU 29 14.859 -40.836 -2.239 1.00 52.44 ATOM 480 HD23 LEU 29 13.178 -41.081 -2.714 1.00 22.50 ATOM 481 C LEU 29 17.755 -43.817 -3.911 1.00 50.50 ATOM 482 O LEU 29 18.594 -42.973 -4.224 1.00 70.43 ATOM 483 N ASP 30 18.082 -45.037 -3.497 1.00 40.14 ATOM 484 HN ASP 30 17.392 -45.595 -3.084 1.00 37.35 ATOM 485 CA ASP 30 19.446 -45.565 -3.608 1.00 62.15 ATOM 486 HA ASP 30 20.052 -44.813 -4.098 1.00 63.21 ATOM 487 CB ASP 30 20.025 -45.825 -2.210 1.00 74.22 ATOM 488 HB1 ASP 30 20.091 -44.886 -1.679 1.00 37.35 ATOM 489 HB2 ASP 30 21.020 -46.238 -2.315 1.00 44.30 ATOM 490 CG ASP 30 19.195 -46.788 -1.372 1.00 72.41 ATOM 491 OD1 ASP 30 19.738 -47.330 -0.387 1.00 3.24 ATOM 492 OD2 ASP 30 18.000 -47.008 -1.686 1.00 64.25 ATOM 493 C ASP 30 19.480 -46.849 -4.468 1.00 3.41 ATOM 494 O ASP 30 20.405 -47.065 -5.256 1.00 65.54 ATOM 495 N GLY 31 18.450 -47.687 -4.305 1.00 70.52 ATOM 496 HN GLY 31 17.728 -47.427 -3.697 1.00 37.35 ATOM 497 CA GLY 31 18.377 -48.978 -4.997 1.00 33.45 ATOM 498 HA1 GLY 31 19.214 -49.068 -5.676 1.00 37.35 ATOM 499 HA2 GLY 31 17.460 -49.013 -5.569 1.00 22.12 ATOM 500 C GLY 31 18.402 -50.163 -4.027 1.00 21.34 ATOM 501 O GLY 31 18.645 -51.304 -4.427 1.00 13.33 ATOM 502 N ASP 32 18.131 -49.877 -2.757 1.00 51.44 ATOM 503 HN ASP 32 17.882 -48.957 -2.529 1.00 37.35 ATOM 504 CA ASP 32 18.208 -50.863 -1.671 1.00 33.13 ATOM 505 HA ASP 32 19.147 -51.388 -1.767 1.00 50.43 ATOM 506 CB ASP 32 18.206 -50.094 -0.345 1.00 12.43 ATOM 507 HB1 ASP 32 17.285 -49.531 -0.266 1.00 37.35 ATOM 508 HB2 ASP 32 19.037 -49.403 -0.341 1.00 13.05 ATOM 509 CG ASP 32 18.328 -50.985 0.868 1.00 2.53 ATOM 510 OD1 ASP 32 17.294 -51.465 1.354 1.00 22.11 ATOM 511 OD2 ASP 32 19.466 -51.207 1.338 1.00 51.24 ATOM 512 C ASP 32 17.047 -51.893 -1.710 1.00 13.40 ATOM 513 O ASP 32 15.900 -51.542 -2.002 1.00 40.53 ATOM 514 N PRO 33 17.336 -53.185 -1.406 1.00 43.45 ATOM 515 CA PRO 33 16.314 -54.259 -1.376 1.00 1.21 ATOM 516 HA PRO 33 15.879 -54.402 -2.356 1.00 15.50 ATOM 517 CB PRO 33 17.117 -55.517 -0.994 1.00 4.14 ATOM 518 HB1 PRO 33 17.314 -56.104 -1.881 1.00 37.35 ATOM 519 HB2 PRO 33 16.554 -56.111 -0.287 1.00 20.52 ATOM 520 CG PRO 33 18.381 -55.004 -0.390 1.00 64.13 ATOM 521 HG1 PRO 33 19.181 -55.713 -0.546 1.00 37.35 ATOM 522 HG2 PRO 33 18.238 -54.827 0.667 1.00 34.24 ATOM 523 CD PRO 33 18.680 -53.713 -1.100 1.00 62.30 ATOM 524 HD1 PRO 33 19.238 -53.896 -2.007 1.00 37.35 ATOM 525 HD2 PRO 33 19.222 -53.040 -0.451 1.00 54.21 ATOM 526 C PRO 33 15.175 -54.014 -0.360 1.00 44.12 ATOM 527 O PRO 33 14.015 -54.318 -0.638 1.00 2.12 ATOM 528 N LYS 34 15.498 -53.468 0.814 1.00 64.52 ATOM 529 HN LYS 34 16.436 -53.245 1.002 1.00 37.35 ATOM 530 CA LYS 34 14.474 -53.179 1.831 1.00 10.25 ATOM 531 HA LYS 34 13.810 -54.033 1.883 1.00 2.20 ATOM 532 CB LYS 34 15.112 -52.961 3.218 1.00 21.00 ATOM 533 HB1 LYS 34 14.322 -52.770 3.932 1.00 37.35 ATOM 534 HB2 LYS 34 15.754 -52.092 3.174 1.00 12.53 ATOM 535 CG LYS 34 15.937 -54.145 3.729 1.00 61.11 ATOM 536 HG1 LYS 34 15.478 -55.063 3.388 1.00 37.35 ATOM 537 HG2 LYS 34 15.936 -54.130 4.808 1.00 1.32 ATOM 538 CD LYS 34 17.386 -54.108 3.244 1.00 72.21 ATOM 539 HD1 LYS 34 17.394 -53.950 2.174 1.00 37.35 ATOM 540 HD2 LYS 34 17.854 -55.055 3.471 1.00 43.55 ATOM 541 CE LYS 34 18.181 -52.991 3.917 1.00 31.23 ATOM 542 HE1 LYS 34 18.186 -53.160 4.985 1.00 37.35 ATOM 543 HE2 LYS 34 17.704 -52.045 3.707 1.00 50.15 ATOM 544 NZ LYS 34 19.584 -52.941 3.429 1.00 64.54 ATOM 545 HZ1 LYS 34 20.046 -53.862 3.563 1.00 62.40 ATOM 546 HZ2 LYS 34 20.123 -52.219 3.950 1.00 71.34 ATOM 547 HZ3 LYS 34 19.602 -52.701 2.416 1.00 5.00 ATOM 548 C LYS 34 13.648 -51.941 1.445 1.00 50.01 ATOM 549 O LYS 34 12.490 -51.802 1.848 1.00 13.34 ATOM 550 N ARG 35 14.255 -51.057 0.651 1.00 53.24 ATOM 551 HN ARG 35 15.174 -51.247 0.355 1.00 37.35 ATOM 552 CA ARG 35 13.614 -49.807 0.218 1.00 75.32 ATOM 553 HA ARG 35 13.470 -49.189 1.093 1.00 33.33 ATOM 554 CB ARG 35 14.535 -49.064 -0.768 1.00 43.15 ATOM 555 HB1 ARG 35 14.459 -49.536 -1.738 1.00 37.35 ATOM 556 HB2 ARG 35 15.553 -49.154 -0.421 1.00 24.21 ATOM 557 CG ARG 35 14.222 -47.578 -0.935 1.00 12.44 ATOM 558 HG1 ARG 35 13.155 -47.454 -1.060 1.00 37.35 ATOM 559 HG2 ARG 35 14.731 -47.209 -1.815 1.00 31.44 ATOM 560 CD ARG 35 14.677 -46.763 0.275 1.00 24.25 ATOM 561 HD1 ARG 35 14.175 -47.139 1.156 1.00 37.35 ATOM 562 HD2 ARG 35 14.403 -45.729 0.120 1.00 11.14 ATOM 563 NE ARG 35 16.127 -46.844 0.478 1.00 15.14 ATOM 564 HE ARG 35 16.664 -47.232 -0.244 1.00 64.22 ATOM 565 CZ ARG 35 16.753 -46.442 1.556 1.00 13.24 ATOM 566 NH1 ARG 35 16.109 -45.882 2.528 1.00 72.31 ATOM 567 HH11 ARG 35 15.128 -45.753 2.462 1.00 12.52 ATOM 568 HH12 ARG 35 16.602 -45.578 3.341 1.00 42.34 ATOM 569 NH2 ARG 35 18.032 -46.582 1.648 1.00 13.54 ATOM 570 HH21 ARG 35 18.545 -46.990 0.893 1.00 33.40 ATOM 571 HH22 ARG 35 18.507 -46.302 2.482 1.00 2.04 ATOM 572 C ARG 35 12.240 -50.063 -0.439 1.00 20.25 ATOM 573 O ARG 35 11.207 -49.616 0.063 1.00 24.14 ATOM 574 N LYS 36 12.234 -50.794 -1.558 1.00 62.45 ATOM 575 HN LYS 36 13.075 -51.170 -1.883 1.00 37.35 ATOM 576 CA LYS 36 10.994 -51.032 -2.314 1.00 41.24 ATOM 577 HA LYS 36 10.537 -50.064 -2.476 1.00 44.54 ATOM 578 CB LYS 36 11.282 -51.660 -3.697 1.00 14.51 ATOM 579 HB1 LYS 36 12.065 -51.088 -4.175 1.00 37.35 ATOM 580 HB2 LYS 36 10.388 -51.582 -4.299 1.00 32.12 ATOM 581 CG LYS 36 11.707 -53.133 -3.682 1.00 74.11 ATOM 582 HG1 LYS 36 11.549 -53.548 -4.670 1.00 37.35 ATOM 583 HG2 LYS 36 11.091 -53.667 -2.973 1.00 70.23 ATOM 584 CD LYS 36 13.172 -53.328 -3.296 1.00 53.01 ATOM 585 HD1 LYS 36 13.362 -54.386 -3.182 1.00 37.35 ATOM 586 HD2 LYS 36 13.357 -52.832 -2.356 1.00 74.40 ATOM 587 CE LYS 36 14.129 -52.769 -4.346 1.00 72.42 ATOM 588 HE1 LYS 36 15.144 -52.901 -3.998 1.00 37.35 ATOM 589 HE2 LYS 36 13.929 -51.715 -4.472 1.00 2.14 ATOM 590 NZ LYS 36 13.977 -53.449 -5.661 1.00 4.12 ATOM 591 HZ1 LYS 36 13.078 -53.177 -6.107 1.00 32.03 ATOM 592 HZ2 LYS 36 13.985 -54.482 -5.536 1.00 21.44 ATOM 593 HZ3 LYS 36 14.759 -53.185 -6.296 1.00 3.32 ATOM 594 C LYS 36 9.986 -51.901 -1.534 1.00 53.23 ATOM 595 O LYS 36 8.775 -51.689 -1.630 1.00 24.44 ATOM 596 N GLU 37 10.483 -52.871 -0.760 1.00 25.54 ATOM 597 HN GLU 37 11.453 -52.999 -0.715 1.00 37.35 ATOM 598 CA GLU 37 9.604 -53.748 0.029 1.00 11.02 ATOM 599 HA GLU 37 8.924 -54.230 -0.658 1.00 5.23 ATOM 600 CB GLU 37 10.412 -54.826 0.763 1.00 44.44 ATOM 601 HB1 GLU 37 9.749 -55.366 1.425 1.00 37.35 ATOM 602 HB2 GLU 37 11.178 -54.343 1.355 1.00 3.03 ATOM 603 CG GLU 37 11.088 -55.833 -0.160 1.00 64.31 ATOM 604 HG1 GLU 37 11.876 -55.333 -0.706 1.00 37.35 ATOM 605 HG2 GLU 37 10.354 -56.211 -0.858 1.00 53.42 ATOM 606 CD GLU 37 11.686 -57.004 0.603 1.00 11.53 ATOM 607 OE1 GLU 37 12.866 -56.925 1.012 1.00 33.13 ATOM 608 OE2 GLU 37 10.972 -58.010 0.810 1.00 53.31 ATOM 609 C GLU 37 8.782 -52.946 1.046 1.00 23.05 ATOM 610 O GLU 37 7.557 -53.078 1.115 1.00 35.23 ATOM 611 N PHE 38 9.469 -52.118 1.833 1.00 21.51 ATOM 612 HN PHE 38 10.447 -52.087 1.754 1.00 37.35 ATOM 613 CA PHE 38 8.807 -51.254 2.814 1.00 4.02 ATOM 614 HA PHE 38 8.347 -51.890 3.559 1.00 3.21 ATOM 615 CB PHE 38 9.840 -50.348 3.500 1.00 21.44 ATOM 616 HB1 PHE 38 10.369 -49.784 2.744 1.00 37.35 ATOM 617 HB2 PHE 38 10.549 -50.965 4.034 1.00 75.03 ATOM 618 CG PHE 38 9.250 -49.364 4.485 1.00 73.11 ATOM 619 CD1 PHE 38 8.876 -48.088 4.078 1.00 25.44 ATOM 620 HD1 PHE 38 9.007 -47.801 3.044 1.00 54.11 ATOM 621 CD2 PHE 38 9.074 -49.712 5.816 1.00 54.43 ATOM 622 HD2 PHE 38 9.358 -50.699 6.148 1.00 23.24 ATOM 623 CE1 PHE 38 8.338 -47.186 4.977 1.00 2.41 ATOM 624 HE1 PHE 38 8.050 -46.198 4.646 1.00 63.33 ATOM 625 CE2 PHE 38 8.538 -48.813 6.717 1.00 14.10 ATOM 626 HE2 PHE 38 8.408 -49.097 7.753 1.00 32.43 ATOM 627 CZ PHE 38 8.170 -47.549 6.298 1.00 54.51 ATOM 628 HZ PHE 38 7.750 -46.847 7.004 1.00 61.35 ATOM 629 C PHE 38 7.718 -50.401 2.151 1.00 72.32 ATOM 630 O PHE 38 6.600 -50.301 2.657 1.00 74.43 ATOM 631 N LEU 39 8.056 -49.792 1.014 1.00 21.11 ATOM 632 HN LEU 39 8.967 -49.914 0.663 1.00 37.35 ATOM 633 CA LEU 39 7.113 -48.943 0.275 1.00 32.31 ATOM 634 HA LEU 39 6.807 -48.147 0.938 1.00 53.43 ATOM 635 CB LEU 39 7.802 -48.322 -0.948 1.00 12.54 ATOM 636 HB1 LEU 39 7.066 -47.753 -1.501 1.00 37.35 ATOM 637 HB2 LEU 39 8.157 -49.125 -1.582 1.00 54.21 ATOM 638 CG LEU 39 8.987 -47.395 -0.630 1.00 45.40 ATOM 639 HG LEU 39 9.731 -47.954 -0.081 1.00 42.32 ATOM 640 CD1 LEU 39 9.640 -46.896 -1.913 1.00 73.12 ATOM 641 HD11 LEU 39 10.470 -46.250 -1.667 1.00 33.15 ATOM 642 HD12 LEU 39 8.917 -46.347 -2.499 1.00 3.24 ATOM 643 HD13 LEU 39 10.001 -47.739 -2.486 1.00 34.21 ATOM 644 CD2 LEU 39 8.543 -46.220 0.242 1.00 14.31 ATOM 645 HD21 LEU 39 7.783 -45.651 -0.274 1.00 1.22 ATOM 646 HD22 LEU 39 9.391 -45.582 0.446 1.00 40.43 ATOM 647 HD23 LEU 39 8.143 -46.592 1.174 1.00 73.00 ATOM 648 C LEU 39 5.859 -49.718 -0.165 1.00 54.40 ATOM 649 O LEU 39 4.739 -49.224 -0.027 1.00 11.44 ATOM 650 N ASP 40 6.047 -50.930 -0.688 1.00 3.44 ATOM 651 HN ASP 40 6.960 -51.282 -0.764 1.00 37.35 ATOM 652 CA ASP 40 4.922 -51.751 -1.153 1.00 40.44 ATOM 653 HA ASP 40 4.378 -51.174 -1.889 1.00 61.42 ATOM 654 CB ASP 40 5.438 -53.032 -1.816 1.00 41.14 ATOM 655 HB1 ASP 40 6.097 -53.544 -1.129 1.00 37.35 ATOM 656 HB2 ASP 40 5.987 -52.772 -2.709 1.00 33.22 ATOM 657 CG ASP 40 4.309 -53.972 -2.200 1.00 74.44 ATOM 658 OD1 ASP 40 4.156 -55.029 -1.550 1.00 73.03 ATOM 659 OD2 ASP 40 3.556 -53.646 -3.142 1.00 73.05 ATOM 660 C ASP 40 3.962 -52.110 -0.006 1.00 51.03 ATOM 661 O ASP 40 2.755 -51.872 -0.094 1.00 61.35 ATOM 662 N ASP 41 4.506 -52.671 1.073 1.00 4.32 ATOM 663 HN ASP 41 5.474 -52.842 1.089 1.00 37.35 ATOM 664 CA ASP 41 3.693 -53.048 2.233 1.00 21.35 ATOM 665 HA ASP 41 2.877 -53.657 1.866 1.00 1.40 ATOM 666 CB ASP 41 4.513 -53.887 3.219 1.00 21.54 ATOM 667 HB1 ASP 41 3.965 -53.985 4.147 1.00 37.35 ATOM 668 HB2 ASP 41 5.455 -53.393 3.412 1.00 30.02 ATOM 669 CG ASP 41 4.790 -55.279 2.673 1.00 62.14 ATOM 670 OD1 ASP 41 3.898 -56.148 2.774 1.00 62.01 ATOM 671 OD2 ASP 41 5.889 -55.512 2.129 1.00 20.34 ATOM 672 C ASP 41 3.086 -51.818 2.925 1.00 74.45 ATOM 673 O ASP 41 2.004 -51.899 3.508 1.00 22.23 ATOM 674 N LEU 42 3.791 -50.688 2.865 1.00 52.51 ATOM 675 HN LEU 42 4.688 -50.709 2.465 1.00 37.35 ATOM 676 CA LEU 42 3.270 -49.416 3.384 1.00 65.12 ATOM 677 HA LEU 42 3.029 -49.556 4.429 1.00 31.45 ATOM 678 CB LEU 42 4.344 -48.326 3.261 1.00 60.24 ATOM 679 HB1 LEU 42 4.691 -48.312 2.236 1.00 37.35 ATOM 680 HB2 LEU 42 5.174 -48.597 3.897 1.00 21.22 ATOM 681 CG LEU 42 3.891 -46.903 3.631 1.00 0.44 ATOM 682 HG LEU 42 3.022 -46.649 3.041 1.00 74.22 ATOM 683 CD1 LEU 42 3.490 -46.816 5.101 1.00 70.43 ATOM 684 HD11 LEU 42 3.167 -45.810 5.326 1.00 5.22 ATOM 685 HD12 LEU 42 4.335 -47.071 5.725 1.00 45.31 ATOM 686 HD13 LEU 42 2.680 -47.505 5.295 1.00 14.34 ATOM 687 CD2 LEU 42 4.986 -45.890 3.305 1.00 14.44 ATOM 688 HD21 LEU 42 5.221 -45.939 2.252 1.00 70.21 ATOM 689 HD22 LEU 42 5.872 -46.112 3.883 1.00 64.42 ATOM 690 HD23 LEU 42 4.639 -44.896 3.548 1.00 30.25 ATOM 691 C LEU 42 2.000 -48.978 2.633 1.00 61.32 ATOM 692 O LEU 42 0.933 -48.820 3.234 1.00 20.34 ATOM 693 N PHE 43 2.123 -48.802 1.316 1.00 23.33 ATOM 694 HN PHE 43 2.998 -48.950 0.896 1.00 37.35 ATOM 695 CA PHE 43 0.990 -48.390 0.475 1.00 2.43 ATOM 696 HA PHE 43 0.651 -47.423 0.824 1.00 74.31 ATOM 697 CB PHE 43 1.426 -48.268 -0.997 1.00 13.54 ATOM 698 HB1 PHE 43 0.573 -47.968 -1.590 1.00 37.35 ATOM 699 HB2 PHE 43 1.767 -49.234 -1.340 1.00 50.44 ATOM 700 CG PHE 43 2.542 -47.274 -1.253 1.00 40.41 ATOM 701 CD1 PHE 43 3.013 -46.437 -0.247 1.00 14.41 ATOM 702 HD1 PHE 43 2.579 -46.496 0.740 1.00 22.53 ATOM 703 CD2 PHE 43 3.118 -47.178 -2.514 1.00 12.22 ATOM 704 HD2 PHE 43 2.764 -47.820 -3.309 1.00 75.34 ATOM 705 CE1 PHE 43 4.030 -45.533 -0.495 1.00 23.30 ATOM 706 HE1 PHE 43 4.385 -44.889 0.297 1.00 3.14 ATOM 707 CE2 PHE 43 4.135 -46.275 -2.764 1.00 55.34 ATOM 708 HE2 PHE 43 4.572 -46.213 -3.751 1.00 33.24 ATOM 709 CZ PHE 43 4.590 -45.452 -1.754 1.00 65.15 ATOM 710 HZ PHE 43 5.383 -44.744 -1.949 1.00 41.45 ATOM 711 C PHE 43 -0.166 -49.392 0.594 1.00 74.32 ATOM 712 O PHE 43 -1.336 -49.013 0.699 1.00 20.34 ATOM 713 N SER 44 0.184 -50.674 0.588 1.00 3.05 ATOM 714 HN SER 44 1.129 -50.903 0.443 1.00 37.35 ATOM 715 CA SER 44 -0.789 -51.757 0.773 1.00 22.21 ATOM 716 HA SER 44 -1.513 -51.691 -0.027 1.00 43.44 ATOM 717 CB SER 44 -0.076 -53.114 0.688 1.00 41.42 ATOM 718 HB1 SER 44 0.772 -53.114 1.358 1.00 37.35 ATOM 719 HB2 SER 44 0.269 -53.276 -0.323 1.00 72.01 ATOM 720 OG SER 44 -0.938 -54.180 1.047 1.00 64.21 ATOM 721 HG SER 44 -0.471 -54.770 1.653 1.00 74.31 ATOM 722 C SER 44 -1.525 -51.639 2.118 1.00 1.22 ATOM 723 O SER 44 -2.755 -51.673 2.170 1.00 60.42 ATOM 724 N PHE 45 -0.765 -51.478 3.202 1.00 13.11 ATOM 725 HN PHE 45 0.205 -51.394 3.091 1.00 37.35 ATOM 726 CA PHE 45 -1.334 -51.415 4.556 1.00 3.54 ATOM 727 HA PHE 45 -1.835 -52.356 4.741 1.00 41.43 ATOM 728 CB PHE 45 -0.218 -51.241 5.601 1.00 4.41 ATOM 729 HB1 PHE 45 0.344 -50.346 5.375 1.00 37.35 ATOM 730 HB2 PHE 45 0.445 -52.094 5.557 1.00 22.24 ATOM 731 CG PHE 45 -0.733 -51.125 7.015 1.00 33.41 ATOM 732 CD1 PHE 45 -1.121 -52.255 7.720 1.00 40.45 ATOM 733 HD1 PHE 45 -1.045 -53.225 7.251 1.00 22.14 ATOM 734 CD2 PHE 45 -0.838 -49.887 7.634 1.00 41.14 ATOM 735 HD2 PHE 45 -0.538 -48.998 7.098 1.00 30.44 ATOM 736 CE1 PHE 45 -1.605 -52.151 9.009 1.00 64.21 ATOM 737 HE1 PHE 45 -1.904 -53.040 9.547 1.00 12.11 ATOM 738 CE2 PHE 45 -1.320 -49.780 8.923 1.00 41.53 ATOM 739 HE2 PHE 45 -1.399 -48.811 9.392 1.00 51.22 ATOM 740 CZ PHE 45 -1.705 -50.913 9.611 1.00 60.25 ATOM 741 HZ PHE 45 -2.084 -50.830 10.620 1.00 72.41 ATOM 742 C PHE 45 -2.361 -50.282 4.699 1.00 42.31 ATOM 743 O PHE 45 -3.500 -50.511 5.120 1.00 22.22 ATOM 744 N MET 46 -1.957 -49.062 4.354 1.00 70.02 ATOM 745 HN MET 46 -1.046 -48.941 4.006 1.00 37.35 ATOM 746 CA MET 46 -2.836 -47.897 4.483 1.00 53.32 ATOM 747 HA MET 46 -3.168 -47.862 5.512 1.00 52.42 ATOM 748 CB MET 46 -2.057 -46.609 4.180 1.00 1.22 ATOM 749 HB1 MET 46 -1.240 -46.523 4.886 1.00 37.35 ATOM 750 HB2 MET 46 -2.720 -45.766 4.312 1.00 42.04 ATOM 751 CG MET 46 -1.479 -46.541 2.772 1.00 53.21 ATOM 752 HG1 MET 46 -2.293 -46.495 2.063 1.00 37.35 ATOM 753 HG2 MET 46 -0.896 -47.434 2.590 1.00 62.11 ATOM 754 SD MET 46 -0.417 -45.101 2.530 1.00 1.33 ATOM 755 CE MET 46 -1.510 -43.774 3.036 1.00 32.00 ATOM 756 HE1 MET 46 -2.374 -43.754 2.390 1.00 2.12 ATOM 757 HE2 MET 46 -0.987 -42.832 2.967 1.00 23.21 ATOM 758 HE3 MET 46 -1.827 -43.936 4.056 1.00 13.14 ATOM 759 C MET 46 -4.082 -48.023 3.581 1.00 21.41 ATOM 760 O MET 46 -5.164 -47.544 3.927 1.00 13.41 ATOM 761 N GLN 47 -3.936 -48.692 2.439 1.00 52.02 ATOM 762 HN GLN 47 -3.047 -49.029 2.191 1.00 37.35 ATOM 763 CA GLN 47 -5.068 -48.935 1.538 1.00 63.04 ATOM 764 HA GLN 47 -5.558 -47.985 1.364 1.00 33.42 ATOM 765 CB GLN 47 -4.567 -49.484 0.195 1.00 2.43 ATOM 766 HB1 GLN 47 -3.998 -50.385 0.378 1.00 37.35 ATOM 767 HB2 GLN 47 -3.917 -48.748 -0.259 1.00 40.23 ATOM 768 CG GLN 47 -5.680 -49.815 -0.793 1.00 5.15 ATOM 769 HG1 GLN 47 -6.318 -48.949 -0.906 1.00 37.35 ATOM 770 HG2 GLN 47 -6.262 -50.637 -0.398 1.00 34.53 ATOM 771 CD GLN 47 -5.150 -50.213 -2.159 1.00 63.41 ATOM 772 OE1 GLN 47 -4.875 -51.381 -2.414 1.00 21.23 ATOM 773 NE2 GLN 47 -5.011 -49.250 -3.048 1.00 3.41 ATOM 774 HE21 GLN 47 -5.253 -48.340 -2.790 1.00 41.13 ATOM 775 HE22 GLN 47 -4.667 -49.490 -3.935 1.00 63.14 ATOM 776 C GLN 47 -6.088 -49.903 2.169 1.00 12.44 ATOM 777 O GLN 47 -7.299 -49.727 2.020 1.00 63.05 ATOM 778 N LYS 48 -5.591 -50.914 2.886 1.00 31.20 ATOM 779 HN LYS 48 -4.616 -51.019 2.944 1.00 37.35 ATOM 780 CA LYS 48 -6.456 -51.888 3.577 1.00 1.20 ATOM 781 HA LYS 48 -7.024 -52.418 2.823 1.00 62.33 ATOM 782 CB LYS 48 -5.601 -52.900 4.355 1.00 44.53 ATOM 783 HB1 LYS 48 -6.257 -53.574 4.889 1.00 37.35 ATOM 784 HB2 LYS 48 -4.995 -52.362 5.071 1.00 14.24 ATOM 785 CG LYS 48 -4.675 -53.733 3.473 1.00 52.05 ATOM 786 HG1 LYS 48 -4.131 -53.070 2.814 1.00 37.35 ATOM 787 HG2 LYS 48 -5.274 -54.413 2.884 1.00 22.35 ATOM 788 CD LYS 48 -3.677 -54.542 4.301 1.00 75.44 ATOM 789 HD1 LYS 48 -4.221 -55.248 4.914 1.00 37.35 ATOM 790 HD2 LYS 48 -3.122 -53.867 4.936 1.00 44.12 ATOM 791 CE LYS 48 -2.693 -55.307 3.420 1.00 50.14 ATOM 792 HE1 LYS 48 -2.188 -54.605 2.771 1.00 37.35 ATOM 793 HE2 LYS 48 -3.240 -56.020 2.820 1.00 41.10 ATOM 794 NZ LYS 48 -1.674 -56.039 4.223 1.00 14.32 ATOM 795 HZ1 LYS 48 -2.135 -56.742 4.835 1.00 65.20 ATOM 796 HZ2 LYS 48 -1.141 -55.374 4.821 1.00 74.21 ATOM 797 HZ3 LYS 48 -1.004 -56.529 3.594 1.00 73.33 ATOM 798 C LYS 48 -7.439 -51.196 4.540 1.00 32.43 ATOM 799 O LYS 48 -8.616 -51.547 4.600 1.00 60.54 ATOM 800 N ARG 49 -6.950 -50.203 5.283 1.00 2.51 ATOM 801 HN ARG 49 -6.002 -49.968 5.194 1.00 37.35 ATOM 802 CA ARG 49 -7.794 -49.460 6.236 1.00 41.23 ATOM 803 HA ARG 49 -8.508 -50.160 6.647 1.00 1.43 ATOM 804 CB ARG 49 -6.947 -48.901 7.392 1.00 13.22 ATOM 805 HB1 ARG 49 -6.623 -49.723 8.015 1.00 37.35 ATOM 806 HB2 ARG 49 -7.563 -48.239 7.985 1.00 53.52 ATOM 807 CG ARG 49 -5.710 -48.128 6.945 1.00 11.40 ATOM 808 HG1 ARG 49 -6.010 -47.369 6.237 1.00 37.35 ATOM 809 HG2 ARG 49 -5.025 -48.813 6.467 1.00 44.20 ATOM 810 CD ARG 49 -4.999 -47.458 8.118 1.00 64.44 ATOM 811 HD1 ARG 49 -4.013 -47.155 7.795 1.00 37.35 ATOM 812 HD2 ARG 49 -4.905 -48.174 8.922 1.00 0.41 ATOM 813 NE ARG 49 -5.719 -46.278 8.607 1.00 3.45 ATOM 814 HE ARG 49 -6.071 -45.655 7.939 1.00 2.15 ATOM 815 CZ ARG 49 -5.885 -45.977 9.870 1.00 12.33 ATOM 816 NH1 ARG 49 -5.493 -46.785 10.802 1.00 1.33 ATOM 817 HH11 ARG 49 -5.058 -47.651 10.562 1.00 73.23 ATOM 818 HH12 ARG 49 -5.631 -46.544 11.760 1.00 11.33 ATOM 819 NH2 ARG 49 -6.461 -44.866 10.193 1.00 53.04 ATOM 820 HH21 ARG 49 -6.772 -44.243 9.475 1.00 30.51 ATOM 821 HH22 ARG 49 -6.594 -44.628 11.153 1.00 11.22 ATOM 822 C ARG 49 -8.581 -48.322 5.556 1.00 24.24 ATOM 823 O ARG 49 -9.189 -47.489 6.228 1.00 74.41 ATOM 824 N GLY 50 -8.573 -48.293 4.225 1.00 25.14 ATOM 825 HN GLY 50 -8.036 -48.951 3.735 1.00 37.35 ATOM 826 CA GLY 50 -9.363 -47.308 3.491 1.00 35.01 ATOM 827 HA1 GLY 50 -10.329 -47.211 3.970 1.00 37.35 ATOM 828 HA2 GLY 50 -9.516 -47.671 2.486 1.00 63.32 ATOM 829 C GLY 50 -8.716 -45.926 3.413 1.00 2.14 ATOM 830 O GLY 50 -9.395 -44.907 3.565 1.00 61.22 ATOM 831 N THR 51 -7.406 -45.888 3.187 1.00 31.21 ATOM 832 HN THR 51 -6.903 -46.729 3.166 1.00 37.35 ATOM 833 CA THR 51 -6.685 -44.621 2.975 1.00 43.34 ATOM 834 HA THR 51 -7.330 -43.976 2.391 1.00 50.23 ATOM 835 CB THR 51 -6.363 -43.886 4.311 1.00 52.33 ATOM 836 HB THR 51 -7.288 -43.495 4.715 1.00 33.30 ATOM 837 OG1 THR 51 -5.466 -42.786 4.075 1.00 42.31 ATOM 838 HG1 THR 51 -4.656 -43.120 3.662 1.00 3.42 ATOM 839 CG2 THR 51 -5.750 -44.831 5.342 1.00 53.41 ATOM 840 HG21 THR 51 -4.817 -45.222 4.963 1.00 5.15 ATOM 841 HG22 THR 51 -6.431 -45.648 5.533 1.00 14.43 ATOM 842 HG23 THR 51 -5.569 -44.292 6.261 1.00 72.33 ATOM 843 C THR 51 -5.384 -44.840 2.183 1.00 32.11 ATOM 844 O THR 51 -4.299 -44.889 2.757 1.00 3.33 ATOM 845 N PRO 52 -5.477 -45.004 0.850 1.00 22.31 ATOM 846 CA PRO 52 -4.299 -45.196 -0.012 1.00 43.32 ATOM 847 HA PRO 52 -3.633 -45.943 0.399 1.00 2.51 ATOM 848 CB PRO 52 -4.898 -45.710 -1.341 1.00 40.53 ATOM 849 HB1 PRO 52 -4.405 -46.628 -1.627 1.00 37.35 ATOM 850 HB2 PRO 52 -4.755 -44.969 -2.117 1.00 1.51 ATOM 851 CG PRO 52 -6.355 -45.938 -1.073 1.00 75.32 ATOM 852 HG1 PRO 52 -6.523 -46.971 -0.799 1.00 37.35 ATOM 853 HG2 PRO 52 -6.936 -45.685 -1.950 1.00 70.34 ATOM 854 CD PRO 52 -6.718 -45.031 0.069 1.00 3.24 ATOM 855 HD1 PRO 52 -7.532 -45.449 0.643 1.00 37.35 ATOM 856 HD2 PRO 52 -6.972 -44.044 -0.293 1.00 20.41 ATOM 857 C PRO 52 -3.510 -43.894 -0.240 1.00 63.05 ATOM 858 O PRO 52 -3.829 -42.847 0.330 1.00 60.12 ATOM 859 N VAL 53 -2.478 -43.964 -1.078 1.00 42.13 ATOM 860 HN VAL 53 -2.262 -44.820 -1.499 1.00 37.35 ATOM 861 CA VAL 53 -1.663 -42.789 -1.395 1.00 4.51 ATOM 862 HA VAL 53 -1.525 -42.221 -0.482 1.00 31.02 ATOM 863 CB VAL 53 -0.266 -43.203 -1.920 1.00 31.02 ATOM 864 HB VAL 53 -0.402 -43.758 -2.840 1.00 20.24 ATOM 865 CG1 VAL 53 0.592 -41.975 -2.230 1.00 64.32 ATOM 866 HG11 VAL 53 1.550 -42.292 -2.622 1.00 21.54 ATOM 867 HG12 VAL 53 0.746 -41.404 -1.327 1.00 70.43 ATOM 868 HG13 VAL 53 0.090 -41.360 -2.964 1.00 22.50 ATOM 869 CG2 VAL 53 0.434 -44.118 -0.915 1.00 54.32 ATOM 870 HG21 VAL 53 0.548 -43.600 0.026 1.00 12.20 ATOM 871 HG22 VAL 53 1.408 -44.394 -1.294 1.00 64.45 ATOM 872 HG23 VAL 53 -0.158 -45.009 -0.766 1.00 23.53 ATOM 873 C VAL 53 -2.353 -41.893 -2.435 1.00 23.21 ATOM 874 O VAL 53 -2.619 -42.319 -3.559 1.00 43.23 ATOM 875 N ASN 54 -2.656 -40.657 -2.044 1.00 5.50 ATOM 876 HN ASN 54 -2.478 -40.395 -1.118 1.00 37.35 ATOM 877 CA ASN 54 -3.261 -39.679 -2.956 1.00 31.04 ATOM 878 HA ASN 54 -4.036 -40.182 -3.518 1.00 1.30 ATOM 879 CB ASN 54 -3.892 -38.538 -2.143 1.00 61.41 ATOM 880 HB1 ASN 54 -3.119 -38.042 -1.572 1.00 37.35 ATOM 881 HB2 ASN 54 -4.621 -38.955 -1.462 1.00 10.44 ATOM 882 CG ASN 54 -4.592 -37.505 -3.011 1.00 71.10 ATOM 883 OD1 ASN 54 -5.120 -37.818 -4.073 1.00 14.42 ATOM 884 ND2 ASN 54 -4.604 -36.264 -2.566 1.00 52.42 ATOM 885 HD21 ASN 54 -4.167 -36.072 -1.708 1.00 5.31 ATOM 886 HD22 ASN 54 -5.060 -35.587 -3.106 1.00 42.32 ATOM 887 C ASN 54 -2.211 -39.128 -3.938 1.00 51.30 ATOM 888 O ASN 54 -2.298 -39.342 -5.145 1.00 53.42 ATOM 889 N ARG 55 -1.241 -38.392 -3.401 1.00 62.51 ATOM 890 HN ARG 55 -1.285 -38.181 -2.446 1.00 37.35 ATOM 891 CA ARG 55 -0.096 -37.899 -4.178 1.00 11.22 ATOM 892 HA ARG 55 0.139 -38.646 -4.926 1.00 71.31 ATOM 893 CB ARG 55 -0.440 -36.577 -4.884 1.00 45.31 ATOM 894 HB1 ARG 55 -1.150 -36.783 -5.673 1.00 37.35 ATOM 895 HB2 ARG 55 0.461 -36.173 -5.325 1.00 13.33 ATOM 896 CG ARG 55 -1.041 -35.515 -3.969 1.00 63.52 ATOM 897 HG1 ARG 55 -0.370 -35.346 -3.137 1.00 37.35 ATOM 898 HG2 ARG 55 -1.991 -35.871 -3.597 1.00 12.22 ATOM 899 CD ARG 55 -1.263 -34.194 -4.702 1.00 3.23 ATOM 900 HD1 ARG 55 -1.839 -34.386 -5.597 1.00 37.35 ATOM 901 HD2 ARG 55 -0.302 -33.782 -4.978 1.00 51.35 ATOM 902 NE ARG 55 -1.984 -33.226 -3.876 1.00 13.41 ATOM 903 HE ARG 55 -2.817 -33.525 -3.464 1.00 42.20 ATOM 904 CZ ARG 55 -1.603 -31.995 -3.667 1.00 32.22 ATOM 905 NH1 ARG 55 -0.500 -31.542 -4.172 1.00 70.15 ATOM 906 HH11 ARG 55 0.073 -32.135 -4.728 1.00 51.40 ATOM 907 HH12 ARG 55 -0.229 -30.596 -3.999 1.00 75.23 ATOM 908 NH2 ARG 55 -2.335 -31.213 -2.944 1.00 55.41 ATOM 909 HH21 ARG 55 -3.190 -31.551 -2.554 1.00 42.23 ATOM 910 HH22 ARG 55 -2.039 -30.275 -2.769 1.00 74.31 ATOM 911 C ARG 55 1.128 -37.728 -3.265 1.00 22.41 ATOM 912 O ARG 55 0.984 -37.430 -2.074 1.00 23.10 ATOM 913 N ILE 56 2.325 -37.886 -3.820 1.00 24.21 ATOM 914 HN ILE 56 2.390 -37.986 -4.799 1.00 37.35 ATOM 915 CA ILE 56 3.553 -37.885 -3.018 1.00 51.05 ATOM 916 HA ILE 56 3.384 -38.538 -2.171 1.00 53.00 ATOM 917 CB ILE 56 4.753 -38.455 -3.823 1.00 32.55 ATOM 918 HB ILE 56 4.866 -37.864 -4.721 1.00 50.20 ATOM 919 CG1 ILE 56 4.477 -39.917 -4.219 1.00 45.13 ATOM 920 HG11 ILE 56 3.592 -39.951 -4.839 1.00 37.35 ATOM 921 HG12 ILE 56 4.306 -40.501 -3.327 1.00 34.53 ATOM 922 CG2 ILE 56 6.054 -38.345 -3.020 1.00 62.53 ATOM 923 HG21 ILE 56 5.940 -38.854 -2.072 1.00 64.40 ATOM 924 HG22 ILE 56 6.281 -37.303 -2.841 1.00 21.33 ATOM 925 HG23 ILE 56 6.863 -38.796 -3.575 1.00 75.24 ATOM 926 CD1 ILE 56 5.604 -40.573 -4.987 1.00 24.05 ATOM 927 HD11 ILE 56 6.502 -40.559 -4.388 1.00 13.04 ATOM 928 HD12 ILE 56 5.777 -40.036 -5.907 1.00 53.44 ATOM 929 HD13 ILE 56 5.339 -41.595 -5.212 1.00 33.01 ATOM 930 C ILE 56 3.903 -36.481 -2.488 1.00 31.13 ATOM 931 O ILE 56 3.800 -35.485 -3.206 1.00 51.53 ATOM 932 N PRO 57 4.293 -36.382 -1.198 1.00 1.12 ATOM 933 CA PRO 57 4.730 -35.113 -0.594 1.00 71.24 ATOM 934 HA PRO 57 3.970 -34.348 -0.698 1.00 53.40 ATOM 935 CB PRO 57 4.913 -35.456 0.900 1.00 21.22 ATOM 936 HB1 PRO 57 4.445 -34.691 1.505 1.00 37.35 ATOM 937 HB2 PRO 57 5.967 -35.506 1.137 1.00 32.03 ATOM 938 CG PRO 57 4.251 -36.783 1.096 1.00 45.13 ATOM 939 HG1 PRO 57 3.221 -36.642 1.391 1.00 37.35 ATOM 940 HG2 PRO 57 4.781 -37.351 1.846 1.00 33.01 ATOM 941 CD PRO 57 4.322 -37.488 -0.227 1.00 10.12 ATOM 942 HD1 PRO 57 3.468 -38.138 -0.356 1.00 37.35 ATOM 943 HD2 PRO 57 5.242 -38.049 -0.310 1.00 0.33 ATOM 944 C PRO 57 6.051 -34.594 -1.190 1.00 71.22 ATOM 945 O PRO 57 7.097 -35.240 -1.075 1.00 63.41 ATOM 946 N ILE 58 5.994 -33.432 -1.838 1.00 71.42 ATOM 947 HN ILE 58 5.126 -32.999 -1.963 1.00 37.35 ATOM 948 CA ILE 58 7.194 -32.787 -2.377 1.00 53.42 ATOM 949 HA ILE 58 7.939 -33.556 -2.547 1.00 44.44 ATOM 950 CB ILE 58 6.906 -32.089 -3.729 1.00 63.41 ATOM 951 HB ILE 58 6.113 -31.372 -3.574 1.00 2.53 ATOM 952 CG1 ILE 58 6.447 -33.123 -4.771 1.00 1.21 ATOM 953 HG11 ILE 58 6.245 -32.616 -5.704 1.00 37.35 ATOM 954 HG12 ILE 58 5.540 -33.596 -4.424 1.00 30.14 ATOM 955 CG2 ILE 58 8.137 -31.327 -4.225 1.00 12.23 ATOM 956 HG21 ILE 58 8.385 -30.545 -3.521 1.00 72.22 ATOM 957 HG22 ILE 58 7.929 -30.887 -5.190 1.00 63.54 ATOM 958 HG23 ILE 58 8.972 -32.007 -4.314 1.00 50.52 ATOM 959 CD1 ILE 58 7.461 -34.218 -5.047 1.00 71.03 ATOM 960 HD11 ILE 58 7.667 -34.759 -4.135 1.00 41.12 ATOM 961 HD12 ILE 58 8.375 -33.780 -5.421 1.00 15.31 ATOM 962 HD13 ILE 58 7.062 -34.898 -5.785 1.00 0.43 ATOM 963 C ILE 58 7.759 -31.768 -1.380 1.00 0.14 ATOM 964 O ILE 58 7.099 -30.791 -1.024 1.00 2.31 ATOM 965 N MET 59 8.983 -32.012 -0.932 1.00 52.44 ATOM 966 HN MET 59 9.474 -32.782 -1.292 1.00 37.35 ATOM 967 CA MET 59 9.628 -31.175 0.079 1.00 61.35 ATOM 968 HA MET 59 8.971 -30.347 0.311 1.00 41.34 ATOM 969 CB MET 59 9.859 -32.011 1.344 1.00 52.53 ATOM 970 HB1 MET 59 10.718 -32.649 1.186 1.00 37.35 ATOM 971 HB2 MET 59 8.992 -32.632 1.513 1.00 13.41 ATOM 972 CG MET 59 10.100 -31.192 2.602 1.00 31.40 ATOM 973 HG1 MET 59 10.950 -30.543 2.436 1.00 37.35 ATOM 974 HG2 MET 59 10.316 -31.864 3.418 1.00 20.34 ATOM 975 SD MET 59 8.675 -30.180 3.051 1.00 2.13 ATOM 976 CE MET 59 9.097 -29.734 4.731 1.00 64.15 ATOM 977 HE1 MET 59 9.173 -30.631 5.330 1.00 61.33 ATOM 978 HE2 MET 59 8.329 -29.093 5.136 1.00 65.01 ATOM 979 HE3 MET 59 10.042 -29.212 4.741 1.00 64.22 ATOM 980 C MET 59 10.966 -30.630 -0.449 1.00 60.15 ATOM 981 O MET 59 11.787 -31.393 -0.955 1.00 53.45 ATOM 982 N ALA 60 11.179 -29.315 -0.342 1.00 42.30 ATOM 983 HN ALA 60 10.483 -28.753 0.061 1.00 37.35 ATOM 984 CA ALA 60 12.427 -28.683 -0.813 1.00 11.01 ATOM 985 HA ALA 60 12.371 -27.630 -0.569 1.00 11.12 ATOM 986 CB ALA 60 13.629 -29.273 -0.077 1.00 11.13 ATOM 987 HB1 ALA 60 14.522 -28.724 -0.342 1.00 15.15 ATOM 988 HB2 ALA 60 13.751 -30.310 -0.352 1.00 61.25 ATOM 989 HB3 ALA 60 13.469 -29.204 0.988 1.00 24.25 ATOM 990 C ALA 60 12.608 -28.823 -2.337 1.00 21.41 ATOM 991 O ALA 60 13.734 -28.874 -2.833 1.00 74.33 ATOM 992 N LYS 61 11.486 -28.850 -3.065 1.00 32.34 ATOM 993 HN LYS 61 10.630 -28.748 -2.599 1.00 37.35 ATOM 994 CA LYS 61 11.471 -29.015 -4.535 1.00 44.42 ATOM 995 HA LYS 61 10.462 -28.807 -4.863 1.00 61.51 ATOM 996 CB LYS 61 12.423 -28.018 -5.231 1.00 3.42 ATOM 997 HB1 LYS 61 12.350 -28.157 -6.301 1.00 37.35 ATOM 998 HB2 LYS 61 13.437 -28.230 -4.923 1.00 14.34 ATOM 999 CG LYS 61 12.133 -26.552 -4.923 1.00 30.05 ATOM 1000 HG1 LYS 61 12.861 -25.937 -5.436 1.00 37.35 ATOM 1001 HG2 LYS 61 12.220 -26.396 -3.857 1.00 4.32 ATOM 1002 CD LYS 61 10.734 -26.135 -5.365 1.00 52.45 ATOM 1003 HD1 LYS 61 10.003 -26.734 -4.838 1.00 37.35 ATOM 1004 HD2 LYS 61 10.636 -26.297 -6.429 1.00 75.55 ATOM 1005 CE LYS 61 10.480 -24.665 -5.061 1.00 20.03 ATOM 1006 HE1 LYS 61 11.230 -24.074 -5.567 1.00 37.35 ATOM 1007 HE2 LYS 61 10.565 -24.512 -3.997 1.00 14.12 ATOM 1008 NZ LYS 61 9.134 -24.209 -5.501 1.00 4.30 ATOM 1009 HZ1 LYS 61 8.392 -24.739 -5.003 1.00 74.22 ATOM 1010 HZ2 LYS 61 9.019 -24.358 -6.525 1.00 71.12 ATOM 1011 HZ3 LYS 61 9.018 -23.196 -5.295 1.00 73.23 ATOM 1012 C LYS 61 11.820 -30.452 -4.969 1.00 71.31 ATOM 1013 O LYS 61 11.921 -30.735 -6.164 1.00 25.34 ATOM 1014 N GLN 62 11.993 -31.354 -4.008 1.00 31.05 ATOM 1015 HN GLN 62 11.897 -31.078 -3.073 1.00 37.35 ATOM 1016 CA GLN 62 12.309 -32.756 -4.310 1.00 74.11 ATOM 1017 HA GLN 62 12.212 -32.896 -5.380 1.00 34.13 ATOM 1018 CB GLN 62 13.752 -33.089 -3.898 1.00 11.45 ATOM 1019 HB1 GLN 62 14.429 -32.484 -4.486 1.00 37.35 ATOM 1020 HB2 GLN 62 13.943 -34.132 -4.112 1.00 3.22 ATOM 1021 CG GLN 62 14.048 -32.839 -2.421 1.00 62.42 ATOM 1022 HG1 GLN 62 13.242 -33.250 -1.829 1.00 37.35 ATOM 1023 HG2 GLN 62 14.105 -31.773 -2.254 1.00 24.14 ATOM 1024 CD GLN 62 15.354 -33.469 -1.967 1.00 4.02 ATOM 1025 OE1 GLN 62 16.418 -32.864 -2.053 1.00 72.11 ATOM 1026 NE2 GLN 62 15.280 -34.687 -1.471 1.00 54.52 ATOM 1027 HE21 GLN 62 14.399 -35.116 -1.421 1.00 32.40 ATOM 1028 HE22 GLN 62 16.107 -35.113 -1.171 1.00 74.25 ATOM 1029 C GLN 62 11.337 -33.711 -3.605 1.00 35.50 ATOM 1030 O GLN 62 10.483 -33.288 -2.826 1.00 21.11 ATOM 1031 N VAL 63 11.469 -35.002 -3.888 1.00 45.14 ATOM 1032 HN VAL 63 12.131 -35.278 -4.558 1.00 37.35 ATOM 1033 CA VAL 63 10.643 -36.022 -3.238 1.00 1.43 ATOM 1034 HA VAL 63 9.610 -35.712 -3.322 1.00 30.03 ATOM 1035 CB VAL 63 10.793 -37.395 -3.943 1.00 2.22 ATOM 1036 HB VAL 63 10.545 -37.263 -4.987 1.00 21.12 ATOM 1037 CG1 VAL 63 12.235 -37.900 -3.864 1.00 21.20 ATOM 1038 HG11 VAL 63 12.514 -38.036 -2.829 1.00 2.23 ATOM 1039 HG12 VAL 63 12.894 -37.176 -4.321 1.00 42.44 ATOM 1040 HG13 VAL 63 12.320 -38.842 -4.387 1.00 3.14 ATOM 1041 CG2 VAL 63 9.819 -38.415 -3.354 1.00 74.24 ATOM 1042 HG21 VAL 63 8.805 -38.052 -3.464 1.00 34.41 ATOM 1043 HG22 VAL 63 10.035 -38.560 -2.306 1.00 22.02 ATOM 1044 HG23 VAL 63 9.920 -39.356 -3.875 1.00 0.41 ATOM 1045 C VAL 63 10.996 -36.175 -1.748 1.00 44.53 ATOM 1046 O VAL 63 12.167 -36.115 -1.364 1.00 33.44 ATOM 1047 N LEU 64 9.974 -36.352 -0.915 1.00 5.21 ATOM 1048 HN LEU 64 9.059 -36.295 -1.265 1.00 37.35 ATOM 1049 CA LEU 64 10.172 -36.612 0.512 1.00 50.24 ATOM 1050 HA LEU 64 11.061 -36.083 0.830 1.00 60.53 ATOM 1051 CB LEU 64 8.964 -36.091 1.312 1.00 61.32 ATOM 1052 HB1 LEU 64 8.086 -36.638 0.993 1.00 37.35 ATOM 1053 HB2 LEU 64 8.821 -35.048 1.064 1.00 63.02 ATOM 1054 CG LEU 64 9.071 -36.210 2.843 1.00 32.50 ATOM 1055 HG LEU 64 9.215 -37.248 3.106 1.00 3.42 ATOM 1056 CD1 LEU 64 10.273 -35.429 3.364 1.00 41.01 ATOM 1057 HD11 LEU 64 10.171 -34.386 3.100 1.00 71.41 ATOM 1058 HD12 LEU 64 11.178 -35.824 2.926 1.00 63.13 ATOM 1059 HD13 LEU 64 10.326 -35.523 4.440 1.00 30.34 ATOM 1060 CD2 LEU 64 7.787 -35.726 3.513 1.00 42.43 ATOM 1061 HD21 LEU 64 7.860 -35.873 4.582 1.00 23.23 ATOM 1062 HD22 LEU 64 6.947 -36.286 3.131 1.00 23.11 ATOM 1063 HD23 LEU 64 7.643 -34.673 3.306 1.00 52.54 ATOM 1064 C LEU 64 10.371 -38.117 0.764 1.00 40.41 ATOM 1065 O LEU 64 9.444 -38.912 0.589 1.00 64.12 ATOM 1066 N ASP 65 11.588 -38.502 1.147 1.00 23.21 ATOM 1067 HN ASP 65 12.299 -37.828 1.221 1.00 37.35 ATOM 1068 CA ASP 65 11.914 -39.906 1.433 1.00 75.10 ATOM 1069 HA ASP 65 11.801 -40.465 0.515 1.00 44.24 ATOM 1070 CB ASP 65 13.369 -40.026 1.909 1.00 50.14 ATOM 1071 HB1 ASP 65 13.588 -41.067 2.112 1.00 37.35 ATOM 1072 HB2 ASP 65 13.489 -39.458 2.820 1.00 73.04 ATOM 1073 CG ASP 65 14.372 -39.510 0.892 1.00 43.13 ATOM 1074 OD1 ASP 65 15.190 -40.312 0.393 1.00 53.02 ATOM 1075 OD2 ASP 65 14.353 -38.300 0.599 1.00 55.22 ATOM 1076 C ASP 65 10.980 -40.509 2.499 1.00 32.21 ATOM 1077 O ASP 65 11.269 -40.444 3.692 1.00 52.55 ATOM 1078 N LEU 66 9.859 -41.089 2.066 1.00 3.43 ATOM 1079 HN LEU 66 9.656 -41.067 1.107 1.00 37.35 ATOM 1080 CA LEU 66 8.901 -41.716 2.993 1.00 32.11 ATOM 1081 HA LEU 66 8.524 -40.939 3.642 1.00 12.10 ATOM 1082 CB LEU 66 7.720 -42.323 2.217 1.00 12.24 ATOM 1083 HB1 LEU 66 7.076 -42.829 2.923 1.00 37.35 ATOM 1084 HB2 LEU 66 8.112 -43.058 1.526 1.00 12.12 ATOM 1085 CG LEU 66 6.867 -41.318 1.422 1.00 23.21 ATOM 1086 HG LEU 66 7.483 -40.856 0.663 1.00 54.24 ATOM 1087 CD1 LEU 66 5.713 -42.027 0.715 1.00 5.10 ATOM 1088 HD11 LEU 66 5.089 -42.522 1.446 1.00 11.23 ATOM 1089 HD12 LEU 66 6.108 -42.759 0.026 1.00 31.34 ATOM 1090 HD13 LEU 66 5.124 -41.304 0.172 1.00 13.03 ATOM 1091 CD2 LEU 66 6.339 -40.212 2.337 1.00 44.52 ATOM 1092 HD21 LEU 66 5.729 -40.646 3.117 1.00 52.23 ATOM 1093 HD22 LEU 66 5.744 -39.520 1.759 1.00 62.44 ATOM 1094 HD23 LEU 66 7.170 -39.684 2.781 1.00 61.14 ATOM 1095 C LEU 66 9.570 -42.795 3.864 1.00 5.42 ATOM 1096 O LEU 66 9.336 -42.865 5.072 1.00 73.54 ATOM 1097 N PHE 67 10.412 -43.624 3.245 1.00 42.21 ATOM 1098 HN PHE 67 10.536 -43.537 2.278 1.00 37.35 ATOM 1099 CA PHE 67 11.151 -44.669 3.970 1.00 42.05 ATOM 1100 HA PHE 67 10.429 -45.346 4.403 1.00 23.44 ATOM 1101 CB PHE 67 12.052 -45.449 2.992 1.00 5.21 ATOM 1102 HB1 PHE 67 12.787 -44.771 2.579 1.00 37.35 ATOM 1103 HB2 PHE 67 11.444 -45.833 2.187 1.00 63.00 ATOM 1104 CG PHE 67 12.795 -46.619 3.610 1.00 63.13 ATOM 1105 CD1 PHE 67 12.393 -47.923 3.360 1.00 45.41 ATOM 1106 HD1 PHE 67 11.539 -48.102 2.723 1.00 74.15 ATOM 1107 CD2 PHE 67 13.898 -46.414 4.432 1.00 62.25 ATOM 1108 HD2 PHE 67 14.225 -45.405 4.637 1.00 21.34 ATOM 1109 CE1 PHE 67 13.072 -48.992 3.914 1.00 42.30 ATOM 1110 HE1 PHE 67 12.746 -50.003 3.710 1.00 10.30 ATOM 1111 CE2 PHE 67 14.578 -47.481 4.989 1.00 42.02 ATOM 1112 HE2 PHE 67 15.433 -47.305 5.627 1.00 73.40 ATOM 1113 CZ PHE 67 14.164 -48.772 4.730 1.00 61.44 ATOM 1114 HZ PHE 67 14.694 -49.609 5.163 1.00 11.31 ATOM 1115 C PHE 67 12.004 -44.059 5.097 1.00 35.01 ATOM 1116 O PHE 67 11.945 -44.496 6.247 1.00 72.25 ATOM 1117 N MET 68 12.786 -43.037 4.756 1.00 24.34 ATOM 1118 HN MET 68 12.748 -42.694 3.841 1.00 37.35 ATOM 1119 CA MET 68 13.688 -42.403 5.718 1.00 73.31 ATOM 1120 HA MET 68 14.209 -43.190 6.249 1.00 65.32 ATOM 1121 CB MET 68 14.720 -41.536 4.987 1.00 50.13 ATOM 1122 HB1 MET 68 15.393 -41.104 5.714 1.00 37.35 ATOM 1123 HB2 MET 68 14.203 -40.738 4.473 1.00 23.05 ATOM 1124 CG MET 68 15.551 -42.304 3.967 1.00 3.44 ATOM 1125 HG1 MET 68 16.290 -41.636 3.548 1.00 37.35 ATOM 1126 HG2 MET 68 14.898 -42.651 3.180 1.00 12.45 ATOM 1127 SD MET 68 16.398 -43.729 4.685 1.00 11.10 ATOM 1128 CE MET 68 17.451 -42.928 5.900 1.00 23.11 ATOM 1129 HE1 MET 68 18.150 -42.275 5.398 1.00 51.44 ATOM 1130 HE2 MET 68 17.996 -43.677 6.456 1.00 42.13 ATOM 1131 HE3 MET 68 16.843 -42.347 6.581 1.00 61.32 ATOM 1132 C MET 68 12.909 -41.560 6.738 1.00 12.23 ATOM 1133 O MET 68 13.320 -41.430 7.888 1.00 12.04 ATOM 1134 N LEU 69 11.778 -41.004 6.312 1.00 40.21 ATOM 1135 HN LEU 69 11.521 -41.108 5.374 1.00 37.35 ATOM 1136 CA LEU 69 10.909 -40.231 7.205 1.00 31.14 ATOM 1137 HA LEU 69 11.484 -39.398 7.587 1.00 32.51 ATOM 1138 CB LEU 69 9.695 -39.694 6.428 1.00 12.41 ATOM 1139 HB1 LEU 69 9.048 -40.527 6.193 1.00 37.35 ATOM 1140 HB2 LEU 69 10.050 -39.267 5.499 1.00 62.51 ATOM 1141 CG LEU 69 8.859 -38.628 7.159 1.00 14.12 ATOM 1142 HG LEU 69 8.555 -39.014 8.124 1.00 21.21 ATOM 1143 CD1 LEU 69 9.693 -37.375 7.403 1.00 64.32 ATOM 1144 HD11 LEU 69 9.101 -36.642 7.932 1.00 32.23 ATOM 1145 HD12 LEU 69 10.015 -36.964 6.456 1.00 33.24 ATOM 1146 HD13 LEU 69 10.562 -37.630 7.995 1.00 52.32 ATOM 1147 CD2 LEU 69 7.596 -38.293 6.367 1.00 51.13 ATOM 1148 HD21 LEU 69 7.029 -37.538 6.893 1.00 71.53 ATOM 1149 HD22 LEU 69 6.993 -39.182 6.258 1.00 70.11 ATOM 1150 HD23 LEU 69 7.868 -37.921 5.389 1.00 24.13 ATOM 1151 C LEU 69 10.448 -41.105 8.383 1.00 52.14 ATOM 1152 O LEU 69 10.497 -40.688 9.542 1.00 45.12 ATOM 1153 N TYR 70 10.014 -42.328 8.068 1.00 31.14 ATOM 1154 HN TYR 70 9.919 -42.568 7.119 1.00 37.35 ATOM 1155 CA TYR 70 9.669 -43.326 9.090 1.00 44.43 ATOM 1156 HA TYR 70 8.837 -42.938 9.663 1.00 11.24 ATOM 1157 CB TYR 70 9.242 -44.639 8.410 1.00 1.34 ATOM 1158 HB1 TYR 70 9.992 -44.915 7.680 1.00 37.35 ATOM 1159 HB2 TYR 70 8.302 -44.481 7.901 1.00 61.50 ATOM 1160 CG TYR 70 9.060 -45.813 9.363 1.00 61.22 ATOM 1161 CD1 TYR 70 7.890 -45.970 10.101 1.00 62.34 ATOM 1162 HD1 TYR 70 7.098 -45.241 9.994 1.00 10.23 ATOM 1163 CD2 TYR 70 10.064 -46.766 9.520 1.00 72.31 ATOM 1164 HD2 TYR 70 10.981 -46.661 8.955 1.00 32.42 ATOM 1165 CE1 TYR 70 7.728 -47.040 10.964 1.00 5.44 ATOM 1166 HE1 TYR 70 6.812 -47.145 11.527 1.00 43.31 ATOM 1167 CE2 TYR 70 9.907 -47.835 10.380 1.00 40.25 ATOM 1168 HE2 TYR 70 10.700 -48.562 10.486 1.00 1.32 ATOM 1169 CZ TYR 70 8.741 -47.969 11.099 1.00 62.31 ATOM 1170 OH TYR 70 8.586 -49.036 11.954 1.00 60.12 ATOM 1171 HH TYR 70 9.423 -49.217 12.392 1.00 74.33 ATOM 1172 C TYR 70 10.855 -43.579 10.037 1.00 74.03 ATOM 1173 O TYR 70 10.717 -43.503 11.259 1.00 24.34 ATOM 1174 N VAL 71 12.020 -43.873 9.455 1.00 4.23 ATOM 1175 HN VAL 71 12.060 -43.910 8.475 1.00 37.35 ATOM 1176 CA VAL 71 13.244 -44.145 10.227 1.00 31.14 ATOM 1177 HA VAL 71 13.081 -45.053 10.792 1.00 25.35 ATOM 1178 CB VAL 71 14.457 -44.375 9.283 1.00 62.15 ATOM 1179 HB VAL 71 14.577 -43.492 8.666 1.00 44.34 ATOM 1180 CG1 VAL 71 15.746 -44.576 10.080 1.00 33.23 ATOM 1181 HG11 VAL 71 16.576 -44.702 9.399 1.00 63.14 ATOM 1182 HG12 VAL 71 15.654 -45.456 10.700 1.00 23.03 ATOM 1183 HG13 VAL 71 15.923 -43.714 10.706 1.00 70.20 ATOM 1184 CG2 VAL 71 14.202 -45.568 8.361 1.00 44.42 ATOM 1185 HG21 VAL 71 13.307 -45.393 7.781 1.00 60.02 ATOM 1186 HG22 VAL 71 14.076 -46.463 8.953 1.00 74.04 ATOM 1187 HG23 VAL 71 15.042 -45.695 7.692 1.00 25.33 ATOM 1188 C VAL 71 13.571 -43.005 11.210 1.00 21.15 ATOM 1189 O VAL 71 13.737 -43.238 12.411 1.00 62.24 ATOM 1190 N LEU 72 13.640 -41.779 10.695 1.00 64.13 ATOM 1191 HN LEU 72 13.474 -41.660 9.736 1.00 37.35 ATOM 1192 CA LEU 72 13.962 -40.599 11.511 1.00 1.45 ATOM 1193 HA LEU 72 14.917 -40.787 11.983 1.00 24.34 ATOM 1194 CB LEU 72 14.097 -39.349 10.619 1.00 41.44 ATOM 1195 HB1 LEU 72 13.851 -38.480 11.213 1.00 37.35 ATOM 1196 HB2 LEU 72 13.373 -39.427 9.819 1.00 4.32 ATOM 1197 CG LEU 72 15.486 -39.117 9.988 1.00 31.12 ATOM 1198 HG LEU 72 15.442 -38.232 9.367 1.00 24.32 ATOM 1199 CD1 LEU 72 16.533 -38.866 11.072 1.00 74.53 ATOM 1200 HD11 LEU 72 16.275 -37.973 11.624 1.00 64.54 ATOM 1201 HD12 LEU 72 17.503 -38.735 10.615 1.00 42.33 ATOM 1202 HD13 LEU 72 16.566 -39.710 11.748 1.00 51.11 ATOM 1203 CD2 LEU 72 15.896 -40.292 9.100 1.00 33.00 ATOM 1204 HD21 LEU 72 15.168 -40.419 8.312 1.00 4.53 ATOM 1205 HD22 LEU 72 15.947 -41.195 9.692 1.00 2.14 ATOM 1206 HD23 LEU 72 16.865 -40.093 8.664 1.00 50.34 ATOM 1207 C LEU 72 12.921 -40.355 12.617 1.00 53.14 ATOM 1208 O LEU 72 13.264 -40.267 13.793 1.00 43.14 ATOM 1209 N VAL 73 11.651 -40.253 12.242 1.00 25.43 ATOM 1210 HN VAL 73 11.420 -40.368 11.294 1.00 37.35 ATOM 1211 CA VAL 73 10.590 -39.968 13.215 1.00 14.14 ATOM 1212 HA VAL 73 10.821 -39.012 13.668 1.00 73.42 ATOM 1213 CB VAL 73 9.211 -39.840 12.521 1.00 1.43 ATOM 1214 HB VAL 73 9.017 -40.755 11.976 1.00 14.14 ATOM 1215 CG1 VAL 73 8.093 -39.644 13.543 1.00 34.20 ATOM 1216 HG11 VAL 73 8.070 -40.486 14.219 1.00 52.44 ATOM 1217 HG12 VAL 73 7.144 -39.569 13.032 1.00 24.34 ATOM 1218 HG13 VAL 73 8.271 -38.738 14.105 1.00 11.41 ATOM 1219 CG2 VAL 73 9.227 -38.684 11.520 1.00 3.25 ATOM 1220 HG21 VAL 73 9.993 -38.857 10.778 1.00 34.23 ATOM 1221 HG22 VAL 73 9.433 -37.758 12.038 1.00 71.41 ATOM 1222 HG23 VAL 73 8.265 -38.615 11.032 1.00 74.35 ATOM 1223 C VAL 73 10.522 -41.029 14.332 1.00 53.32 ATOM 1224 O VAL 73 10.344 -40.695 15.505 1.00 33.32 ATOM 1225 N THR 74 10.691 -42.302 13.978 1.00 11.20 ATOM 1226 HN THR 74 10.868 -42.518 13.037 1.00 37.35 ATOM 1227 CA THR 74 10.626 -43.387 14.972 1.00 43.25 ATOM 1228 HA THR 74 9.734 -43.226 15.566 1.00 14.30 ATOM 1229 CB THR 74 10.513 -44.784 14.317 1.00 74.32 ATOM 1230 HB THR 74 10.519 -45.532 15.101 1.00 33.53 ATOM 1231 OG1 THR 74 11.629 -45.019 13.447 1.00 12.33 ATOM 1232 HG1 THR 74 11.464 -44.602 12.593 1.00 65.13 ATOM 1233 CG2 THR 74 9.212 -44.920 13.532 1.00 44.22 ATOM 1234 HG21 THR 74 9.167 -45.898 13.073 1.00 5.12 ATOM 1235 HG22 THR 74 9.173 -44.161 12.765 1.00 63.31 ATOM 1236 HG23 THR 74 8.372 -44.798 14.201 1.00 33.10 ATOM 1237 C THR 74 11.839 -43.377 15.915 1.00 23.33 ATOM 1238 O THR 74 11.687 -43.547 17.126 1.00 54.31 ATOM 1239 N GLU 75 13.043 -43.171 15.372 1.00 51.14 ATOM 1240 HN GLU 75 13.122 -43.072 14.397 1.00 37.35 ATOM 1241 CA GLU 75 14.252 -43.108 16.207 1.00 12.12 ATOM 1242 HA GLU 75 14.272 -44.008 16.808 1.00 41.01 ATOM 1243 CB GLU 75 15.532 -43.066 15.350 1.00 53.11 ATOM 1244 HB1 GLU 75 15.523 -43.908 14.671 1.00 37.35 ATOM 1245 HB2 GLU 75 16.389 -43.157 16.003 1.00 24.54 ATOM 1246 CG GLU 75 15.697 -41.795 14.527 1.00 21.23 ATOM 1247 HG1 GLU 75 15.687 -40.944 15.195 1.00 37.35 ATOM 1248 HG2 GLU 75 14.867 -41.718 13.840 1.00 63.34 ATOM 1249 CD GLU 75 16.991 -41.776 13.728 1.00 62.24 ATOM 1250 OE1 GLU 75 17.961 -41.128 14.172 1.00 44.11 ATOM 1251 OE2 GLU 75 17.047 -42.422 12.662 1.00 34.41 ATOM 1252 C GLU 75 14.212 -41.898 17.158 1.00 45.30 ATOM 1253 O GLU 75 14.860 -41.897 18.205 1.00 5.04 ATOM 1254 N LYS 76 13.445 -40.871 16.787 1.00 42.21 ATOM 1255 HN LYS 76 13.009 -40.894 15.906 1.00 37.35 ATOM 1256 CA LYS 76 13.258 -39.695 17.648 1.00 52.40 ATOM 1257 HA LYS 76 14.186 -39.526 18.178 1.00 72.24 ATOM 1258 CB LYS 76 12.948 -38.455 16.797 1.00 20.01 ATOM 1259 HB1 LYS 76 12.827 -37.604 17.453 1.00 37.35 ATOM 1260 HB2 LYS 76 12.020 -38.621 16.266 1.00 32.22 ATOM 1261 CG LYS 76 14.028 -38.120 15.769 1.00 12.42 ATOM 1262 HG1 LYS 76 13.707 -37.261 15.195 1.00 37.35 ATOM 1263 HG2 LYS 76 14.150 -38.966 15.109 1.00 73.44 ATOM 1264 CD LYS 76 15.376 -37.808 16.417 1.00 42.22 ATOM 1265 HD1 LYS 76 15.663 -38.640 17.046 1.00 37.35 ATOM 1266 HD2 LYS 76 15.279 -36.918 17.021 1.00 73.11 ATOM 1267 CE LYS 76 16.465 -37.580 15.373 1.00 70.14 ATOM 1268 HE1 LYS 76 16.161 -36.771 14.723 1.00 37.35 ATOM 1269 HE2 LYS 76 16.585 -38.482 14.790 1.00 24.32 ATOM 1270 NZ LYS 76 17.772 -37.235 15.994 1.00 11.42 ATOM 1271 HZ1 LYS 76 17.991 -37.899 16.764 1.00 62.34 ATOM 1272 HZ2 LYS 76 17.748 -36.269 16.378 1.00 2.54 ATOM 1273 HZ3 LYS 76 18.530 -37.289 15.282 1.00 41.55 ATOM 1274 C LYS 76 12.139 -39.916 18.687 1.00 44.43 ATOM 1275 O LYS 76 11.877 -39.044 19.515 1.00 44.14 ATOM 1276 N GLY 77 11.478 -41.078 18.632 1.00 11.14 ATOM 1277 HN GLY 77 11.680 -41.707 17.907 1.00 37.35 ATOM 1278 CA GLY 77 10.474 -41.431 19.644 1.00 1.45 ATOM 1279 HA1 GLY 77 10.493 -40.685 20.427 1.00 37.35 ATOM 1280 HA2 GLY 77 10.750 -42.381 20.075 1.00 32.51 ATOM 1281 C GLY 77 9.042 -41.543 19.116 1.00 44.14 ATOM 1282 O GLY 77 8.099 -41.695 19.897 1.00 14.31 ATOM 1283 N GLY 78 8.867 -41.469 17.802 1.00 32.31 ATOM 1284 HN GLY 78 9.643 -41.320 17.225 1.00 37.35 ATOM 1285 CA GLY 78 7.534 -41.588 17.214 1.00 71.43 ATOM 1286 HA1 GLY 78 6.902 -42.161 17.879 1.00 37.35 ATOM 1287 HA2 GLY 78 7.617 -42.118 16.276 1.00 30.03 ATOM 1288 C GLY 78 6.881 -40.237 16.954 1.00 31.54 ATOM 1289 O GLY 78 7.298 -39.225 17.515 1.00 61.35 ATOM 1290 N LEU 79 5.837 -40.230 16.124 1.00 75.33 ATOM 1291 HN LEU 79 5.479 -41.092 15.809 1.00 37.35 ATOM 1292 CA LEU 79 5.194 -38.986 15.667 1.00 24.31 ATOM 1293 HA LEU 79 5.870 -38.517 14.968 1.00 20.41 ATOM 1294 CB LEU 79 3.882 -39.307 14.931 1.00 32.45 ATOM 1295 HB1 LEU 79 3.243 -39.855 15.609 1.00 37.35 ATOM 1296 HB2 LEU 79 4.115 -39.947 14.091 1.00 11.01 ATOM 1297 CG LEU 79 3.093 -38.086 14.408 1.00 40.20 ATOM 1298 HG LEU 79 2.822 -37.459 15.246 1.00 42.11 ATOM 1299 CD1 LEU 79 3.944 -37.248 13.457 1.00 61.35 ATOM 1300 HD11 LEU 79 4.245 -37.850 12.613 1.00 1.42 ATOM 1301 HD12 LEU 79 4.822 -36.892 13.977 1.00 64.00 ATOM 1302 HD13 LEU 79 3.368 -36.403 13.109 1.00 75.43 ATOM 1303 CD2 LEU 79 1.802 -38.529 13.720 1.00 53.11 ATOM 1304 HD21 LEU 79 1.210 -39.116 14.407 1.00 62.41 ATOM 1305 HD22 LEU 79 2.040 -39.125 12.850 1.00 63.41 ATOM 1306 HD23 LEU 79 1.239 -37.659 13.416 1.00 14.14 ATOM 1307 C LEU 79 4.920 -37.996 16.813 1.00 53.12 ATOM 1308 O LEU 79 5.410 -36.865 16.797 1.00 65.45 ATOM 1309 N VAL 80 4.149 -38.423 17.805 1.00 72.32 ATOM 1310 HN VAL 80 3.855 -39.362 17.812 1.00 37.35 ATOM 1311 CA VAL 80 3.737 -37.534 18.896 1.00 1.10 ATOM 1312 HA VAL 80 3.245 -36.682 18.445 1.00 55.43 ATOM 1313 CB VAL 80 2.718 -38.230 19.825 1.00 14.34 ATOM 1314 HB VAL 80 3.144 -39.168 20.153 1.00 44.43 ATOM 1315 CG1 VAL 80 2.417 -37.386 21.060 1.00 61.50 ATOM 1316 HG11 VAL 80 2.037 -36.420 20.759 1.00 14.30 ATOM 1317 HG12 VAL 80 3.320 -37.255 21.637 1.00 50.40 ATOM 1318 HG13 VAL 80 1.676 -37.890 21.665 1.00 33.33 ATOM 1319 CG2 VAL 80 1.435 -38.533 19.061 1.00 44.33 ATOM 1320 HG21 VAL 80 1.658 -39.168 18.215 1.00 1.35 ATOM 1321 HG22 VAL 80 0.996 -37.611 18.709 1.00 44.35 ATOM 1322 HG23 VAL 80 0.736 -39.038 19.712 1.00 22.01 ATOM 1323 C VAL 80 4.928 -37.015 19.719 1.00 44.15 ATOM 1324 O VAL 80 4.992 -35.827 20.042 1.00 52.14 ATOM 1325 N GLU 81 5.869 -37.894 20.057 1.00 34.34 ATOM 1326 HN GLU 81 5.763 -38.837 19.805 1.00 37.35 ATOM 1327 CA GLU 81 7.057 -37.477 20.811 1.00 63.41 ATOM 1328 HA GLU 81 6.710 -36.998 21.718 1.00 62.22 ATOM 1329 CB GLU 81 7.914 -38.691 21.195 1.00 22.43 ATOM 1330 HB1 GLU 81 8.294 -39.148 20.292 1.00 37.35 ATOM 1331 HB2 GLU 81 7.288 -39.406 21.710 1.00 74.42 ATOM 1332 CG GLU 81 9.101 -38.352 22.098 1.00 42.32 ATOM 1333 HG1 GLU 81 8.783 -37.624 22.832 1.00 37.35 ATOM 1334 HG2 GLU 81 9.886 -37.922 21.491 1.00 55.03 ATOM 1335 CD GLU 81 9.660 -39.566 22.830 1.00 23.21 ATOM 1336 OE1 GLU 81 8.958 -40.095 23.723 1.00 32.41 ATOM 1337 OE2 GLU 81 10.805 -39.979 22.545 1.00 51.44 ATOM 1338 C GLU 81 7.886 -36.457 20.016 1.00 22.41 ATOM 1339 O GLU 81 8.397 -35.489 20.579 1.00 73.11 ATOM 1340 N VAL 82 7.999 -36.668 18.704 1.00 4.42 ATOM 1341 HN VAL 82 7.621 -37.490 18.319 1.00 37.35 ATOM 1342 CA VAL 82 8.678 -35.711 17.819 1.00 61.45 ATOM 1343 HA VAL 82 9.690 -35.587 18.184 1.00 44.02 ATOM 1344 CB VAL 82 8.745 -36.236 16.359 1.00 64.40 ATOM 1345 HB VAL 82 7.734 -36.421 16.020 1.00 2.34 ATOM 1346 CG1 VAL 82 9.376 -35.204 15.424 1.00 4.04 ATOM 1347 HG11 VAL 82 9.371 -35.582 14.411 1.00 14.22 ATOM 1348 HG12 VAL 82 10.395 -35.010 15.729 1.00 22.51 ATOM 1349 HG13 VAL 82 8.809 -34.284 15.465 1.00 62.20 ATOM 1350 CG2 VAL 82 9.513 -37.554 16.299 1.00 12.21 ATOM 1351 HG21 VAL 82 9.030 -38.284 16.932 1.00 25.11 ATOM 1352 HG22 VAL 82 10.526 -37.399 16.640 1.00 23.12 ATOM 1353 HG23 VAL 82 9.529 -37.917 15.281 1.00 41.44 ATOM 1354 C VAL 82 7.971 -34.344 17.841 1.00 43.05 ATOM 1355 O VAL 82 8.622 -33.295 17.915 1.00 5.25 ATOM 1356 N ILE 83 6.638 -34.370 17.787 1.00 1.33 ATOM 1357 HN ILE 83 6.186 -35.236 17.686 1.00 37.35 ATOM 1358 CA ILE 83 5.824 -33.150 17.872 1.00 72.45 ATOM 1359 HA ILE 83 6.102 -32.505 17.049 1.00 33.43 ATOM 1360 CB ILE 83 4.309 -33.479 17.747 1.00 5.13 ATOM 1361 HB ILE 83 4.051 -34.170 18.539 1.00 41.05 ATOM 1362 CG1 ILE 83 4.008 -34.143 16.390 1.00 42.35 ATOM 1363 HG11 ILE 83 4.632 -35.019 16.278 1.00 37.35 ATOM 1364 HG12 ILE 83 4.232 -33.447 15.595 1.00 51.54 ATOM 1365 CG2 ILE 83 3.459 -32.222 17.929 1.00 42.02 ATOM 1366 HG21 ILE 83 3.716 -31.497 17.169 1.00 74.42 ATOM 1367 HG22 ILE 83 3.644 -31.798 18.906 1.00 51.22 ATOM 1368 HG23 ILE 83 2.412 -32.476 17.843 1.00 21.42 ATOM 1369 CD1 ILE 83 2.564 -34.579 16.225 1.00 2.12 ATOM 1370 HD11 ILE 83 2.441 -35.056 15.263 1.00 40.32 ATOM 1371 HD12 ILE 83 1.916 -33.717 16.283 1.00 2.34 ATOM 1372 HD13 ILE 83 2.305 -35.279 17.007 1.00 11.35 ATOM 1373 C ILE 83 6.077 -32.407 19.196 1.00 12.11 ATOM 1374 O ILE 83 6.343 -31.206 19.209 1.00 12.43 ATOM 1375 N ASN 84 6.013 -33.140 20.305 1.00 11.05 ATOM 1376 HN ASN 84 5.793 -34.094 20.231 1.00 37.35 ATOM 1377 CA ASN 84 6.248 -32.563 21.636 1.00 44.12 ATOM 1378 HA ASN 84 5.573 -31.726 21.755 1.00 50.13 ATOM 1379 CB ASN 84 5.937 -33.603 22.716 1.00 5.31 ATOM 1380 HB1 ASN 84 6.226 -33.211 23.681 1.00 37.35 ATOM 1381 HB2 ASN 84 6.502 -34.502 22.513 1.00 24.22 ATOM 1382 CG ASN 84 4.463 -33.960 22.762 1.00 30.41 ATOM 1383 OD1 ASN 84 3.603 -33.123 22.511 1.00 64.55 ATOM 1384 ND2 ASN 84 4.155 -35.204 23.076 1.00 23.12 ATOM 1385 HD21 ASN 84 4.884 -35.834 23.260 1.00 4.13 ATOM 1386 HD22 ASN 84 3.206 -35.449 23.099 1.00 35.33 ATOM 1387 C ASN 84 7.692 -32.053 21.797 1.00 44.21 ATOM 1388 O ASN 84 7.934 -31.028 22.440 1.00 44.32 ATOM 1389 N LYS 85 8.647 -32.778 21.218 1.00 41.20 ATOM 1390 HN LYS 85 8.397 -33.596 20.738 1.00 37.35 ATOM 1391 CA LYS 85 10.064 -32.392 21.281 1.00 54.11 ATOM 1392 HA LYS 85 10.277 -32.091 22.295 1.00 62.43 ATOM 1393 CB LYS 85 10.959 -33.592 20.924 1.00 14.14 ATOM 1394 HB1 LYS 85 11.965 -33.235 20.748 1.00 37.35 ATOM 1395 HB2 LYS 85 10.583 -34.031 20.012 1.00 2.40 ATOM 1396 CG LYS 85 11.022 -34.699 21.984 1.00 24.31 ATOM 1397 HG1 LYS 85 11.235 -35.638 21.489 1.00 37.35 ATOM 1398 HG2 LYS 85 10.059 -34.769 22.472 1.00 11.40 ATOM 1399 CD LYS 85 12.098 -34.450 23.053 1.00 44.45 ATOM 1400 HD1 LYS 85 13.049 -34.300 22.561 1.00 37.35 ATOM 1401 HD2 LYS 85 12.161 -35.319 23.691 1.00 53.13 ATOM 1402 CE LYS 85 11.795 -33.233 23.920 1.00 53.44 ATOM 1403 HE1 LYS 85 10.819 -33.355 24.361 1.00 37.35 ATOM 1404 HE2 LYS 85 11.796 -32.353 23.295 1.00 41.11 ATOM 1405 NZ LYS 85 12.796 -33.044 25.003 1.00 35.21 ATOM 1406 HZ1 LYS 85 12.544 -32.217 25.582 1.00 11.31 ATOM 1407 HZ2 LYS 85 13.743 -32.892 24.598 1.00 4.11 ATOM 1408 HZ3 LYS 85 12.828 -33.883 25.615 1.00 63.43 ATOM 1409 C LYS 85 10.383 -31.212 20.347 1.00 41.40 ATOM 1410 O LYS 85 11.429 -30.579 20.482 1.00 24.53 ATOM 1411 N LYS 86 9.484 -30.931 19.398 1.00 14.02 ATOM 1412 HN LYS 86 8.682 -31.495 19.326 1.00 37.35 ATOM 1413 CA LYS 86 9.645 -29.806 18.457 1.00 24.24 ATOM 1414 HA LYS 86 8.793 -29.813 17.793 1.00 12.14 ATOM 1415 CB LYS 86 9.665 -28.466 19.222 1.00 33.33 ATOM 1416 HB1 LYS 86 9.684 -27.657 18.504 1.00 37.35 ATOM 1417 HB2 LYS 86 10.566 -28.421 19.819 1.00 41.42 ATOM 1418 CG LYS 86 8.471 -28.251 20.150 1.00 61.33 ATOM 1419 HG1 LYS 86 8.617 -27.328 20.695 1.00 37.35 ATOM 1420 HG2 LYS 86 8.418 -29.074 20.849 1.00 42.55 ATOM 1421 CD LYS 86 7.153 -28.168 19.386 1.00 62.43 ATOM 1422 HD1 LYS 86 7.025 -29.071 18.805 1.00 37.35 ATOM 1423 HD2 LYS 86 7.182 -27.314 18.724 1.00 10.43 ATOM 1424 CE LYS 86 5.967 -28.016 20.332 1.00 4.35 ATOM 1425 HE1 LYS 86 5.935 -28.871 20.993 1.00 37.35 ATOM 1426 HE2 LYS 86 5.058 -27.982 19.748 1.00 72.13 ATOM 1427 NZ LYS 86 6.059 -26.777 21.149 1.00 51.34 ATOM 1428 HZ1 LYS 86 6.094 -25.940 20.531 1.00 12.25 ATOM 1429 HZ2 LYS 86 6.917 -26.792 21.737 1.00 44.30 ATOM 1430 HZ3 LYS 86 5.230 -26.693 21.772 1.00 73.13 ATOM 1431 C LYS 86 10.930 -29.935 17.609 1.00 23.02 ATOM 1432 O LYS 86 11.370 -28.971 16.980 1.00 0.42 ATOM 1433 N LEU 87 11.508 -31.135 17.562 1.00 42.10 ATOM 1434 HN LEU 87 11.044 -31.903 17.956 1.00 37.35 ATOM 1435 CA LEU 87 12.821 -31.334 16.929 1.00 43.34 ATOM 1436 HA LEU 87 13.341 -30.386 16.963 1.00 60.24 ATOM 1437 CB LEU 87 13.647 -32.368 17.732 1.00 15.41 ATOM 1438 HB1 LEU 87 13.415 -32.235 18.780 1.00 37.35 ATOM 1439 HB2 LEU 87 14.694 -32.142 17.594 1.00 64.23 ATOM 1440 CG LEU 87 13.435 -33.857 17.387 1.00 25.32 ATOM 1441 HG LEU 87 13.697 -34.014 16.349 1.00 21.12 ATOM 1442 CD1 LEU 87 14.350 -34.737 18.231 1.00 43.14 ATOM 1443 HD11 LEU 87 14.189 -35.774 17.975 1.00 22.14 ATOM 1444 HD12 LEU 87 14.132 -34.588 19.280 1.00 43.42 ATOM 1445 HD13 LEU 87 15.380 -34.476 18.038 1.00 32.51 ATOM 1446 CD2 LEU 87 11.982 -34.269 17.570 1.00 22.22 ATOM 1447 HD21 LEU 87 11.863 -35.305 17.287 1.00 11.03 ATOM 1448 HD22 LEU 87 11.349 -33.652 16.949 1.00 61.22 ATOM 1449 HD23 LEU 87 11.701 -34.146 18.602 1.00 10.54 ATOM 1450 C LEU 87 12.693 -31.750 15.447 1.00 55.21 ATOM 1451 O LEU 87 13.600 -32.360 14.883 1.00 60.32 ATOM 1452 N TRP 88 11.579 -31.379 14.810 1.00 62.20 ATOM 1453 HN TRP 88 10.892 -30.887 15.307 1.00 37.35 ATOM 1454 CA TRP 88 11.345 -31.696 13.387 1.00 61.52 ATOM 1455 HA TRP 88 11.258 -32.769 13.310 1.00 74.40 ATOM 1456 CB TRP 88 10.032 -31.064 12.902 1.00 40.20 ATOM 1457 HB1 TRP 88 10.018 -31.060 11.821 1.00 37.35 ATOM 1458 HB2 TRP 88 9.978 -30.044 13.257 1.00 60.45 ATOM 1459 CG TRP 88 8.801 -31.782 13.374 1.00 64.20 ATOM 1460 CD1 TRP 88 7.964 -31.412 14.389 1.00 1.43 ATOM 1461 HD1 TRP 88 8.097 -30.528 14.997 1.00 52.42 ATOM 1462 CD2 TRP 88 8.267 -32.999 12.838 1.00 74.13 ATOM 1463 NE1 TRP 88 6.947 -32.325 14.518 1.00 4.15 ATOM 1464 HE1 TRP 88 6.222 -32.281 15.175 1.00 4.14 ATOM 1465 CE2 TRP 88 7.109 -33.308 13.575 1.00 44.45 ATOM 1466 CE3 TRP 88 8.655 -33.857 11.802 1.00 74.34 ATOM 1467 HE3 TRP 88 9.538 -33.657 11.211 1.00 34.04 ATOM 1468 CZ2 TRP 88 6.342 -34.440 13.314 1.00 14.13 ATOM 1469 HZ2 TRP 88 5.454 -34.671 13.883 1.00 4.33 ATOM 1470 CZ3 TRP 88 7.889 -34.979 11.544 1.00 53.22 ATOM 1471 HZ3 TRP 88 8.172 -35.653 10.747 1.00 13.53 ATOM 1472 CH2 TRP 88 6.742 -35.259 12.294 1.00 4.51 ATOM 1473 HH2 TRP 88 6.172 -36.147 12.058 1.00 13.21 ATOM 1474 C TRP 88 12.504 -31.244 12.476 1.00 2.20 ATOM 1475 O TRP 88 12.674 -31.765 11.373 1.00 11.04 ATOM 1476 N ARG 89 13.300 -30.281 12.939 1.00 71.00 ATOM 1477 HN ARG 89 13.105 -29.883 13.809 1.00 37.35 ATOM 1478 CA ARG 89 14.456 -29.802 12.169 1.00 30.05 ATOM 1479 HA ARG 89 14.105 -29.558 11.175 1.00 1.31 ATOM 1480 CB ARG 89 15.039 -28.532 12.811 1.00 33.01 ATOM 1481 HB1 ARG 89 15.712 -28.062 12.107 1.00 37.35 ATOM 1482 HB2 ARG 89 15.598 -28.809 13.696 1.00 41.24 ATOM 1483 CG ARG 89 13.975 -27.509 13.215 1.00 71.14 ATOM 1484 HG1 ARG 89 13.490 -27.851 14.120 1.00 37.35 ATOM 1485 HG2 ARG 89 13.242 -27.434 12.424 1.00 63.45 ATOM 1486 CD ARG 89 14.567 -26.124 13.467 1.00 75.23 ATOM 1487 HD1 ARG 89 15.461 -26.229 14.065 1.00 37.35 ATOM 1488 HD2 ARG 89 13.843 -25.529 14.005 1.00 15.55 ATOM 1489 NE ARG 89 14.906 -25.441 12.218 1.00 32.40 ATOM 1490 HE ARG 89 14.753 -25.927 11.381 1.00 10.51 ATOM 1491 CZ ARG 89 15.371 -24.222 12.143 1.00 41.40 ATOM 1492 NH1 ARG 89 15.650 -23.552 13.214 1.00 4.33 ATOM 1493 HH11 ARG 89 15.522 -23.966 14.111 1.00 72.31 ATOM 1494 HH12 ARG 89 15.977 -22.610 13.141 1.00 2.44 ATOM 1495 NH2 ARG 89 15.577 -23.687 10.984 1.00 14.13 ATOM 1496 HH21 ARG 89 15.374 -24.205 10.156 1.00 50.30 ATOM 1497 HH22 ARG 89 15.947 -22.762 10.919 1.00 71.40 ATOM 1498 C ARG 89 15.530 -30.903 12.044 1.00 40.20 ATOM 1499 O ARG 89 16.311 -30.924 11.092 1.00 3.11 ATOM 1500 N GLU 90 15.550 -31.821 13.014 1.00 31.30 ATOM 1501 HN GLU 90 14.998 -31.678 13.810 1.00 37.35 ATOM 1502 CA GLU 90 16.373 -33.038 12.931 1.00 31.12 ATOM 1503 HA GLU 90 17.405 -32.743 12.799 1.00 43.14 ATOM 1504 CB GLU 90 16.238 -33.858 14.227 1.00 4.05 ATOM 1505 HB1 GLU 90 16.637 -34.849 14.054 1.00 37.35 ATOM 1506 HB2 GLU 90 15.189 -33.947 14.470 1.00 44.43 ATOM 1507 CG GLU 90 16.953 -33.265 15.440 1.00 53.33 ATOM 1508 HG1 GLU 90 16.481 -33.641 16.338 1.00 37.35 ATOM 1509 HG2 GLU 90 16.855 -32.188 15.413 1.00 34.02 ATOM 1510 CD GLU 90 18.433 -33.619 15.482 1.00 75.44 ATOM 1511 OE1 GLU 90 19.263 -32.819 15.003 1.00 35.31 ATOM 1512 OE2 GLU 90 18.768 -34.709 15.995 1.00 40.34 ATOM 1513 C GLU 90 15.938 -33.901 11.740 1.00 63.02 ATOM 1514 O GLU 90 16.764 -34.498 11.047 1.00 21.41 ATOM 1515 N ILE 91 14.627 -33.951 11.509 1.00 4.42 ATOM 1516 HN ILE 91 14.027 -33.419 12.073 1.00 37.35 ATOM 1517 CA ILE 91 14.058 -34.765 10.433 1.00 61.55 ATOM 1518 HA ILE 91 14.448 -35.770 10.535 1.00 60.01 ATOM 1519 CB ILE 91 12.513 -34.828 10.534 1.00 44.43 ATOM 1520 HB ILE 91 12.121 -33.848 10.295 1.00 34.10 ATOM 1521 CG1 ILE 91 12.072 -35.205 11.963 1.00 52.41 ATOM 1522 HG11 ILE 91 10.992 -35.210 12.007 1.00 37.35 ATOM 1523 HG12 ILE 91 12.448 -34.467 12.656 1.00 24.35 ATOM 1524 CG2 ILE 91 11.948 -35.821 9.519 1.00 34.35 ATOM 1525 HG21 ILE 91 10.873 -35.869 9.620 1.00 5.12 ATOM 1526 HG22 ILE 91 12.369 -36.801 9.695 1.00 63.41 ATOM 1527 HG23 ILE 91 12.199 -35.498 8.518 1.00 20.10 ATOM 1528 CD1 ILE 91 12.561 -36.561 12.430 1.00 34.01 ATOM 1529 HD11 ILE 91 12.213 -36.740 13.438 1.00 65.01 ATOM 1530 HD12 ILE 91 13.640 -36.583 12.413 1.00 45.41 ATOM 1531 HD13 ILE 91 12.174 -37.330 11.776 1.00 73.41 ATOM 1532 C ILE 91 14.454 -34.212 9.055 1.00 64.02 ATOM 1533 O ILE 91 15.011 -34.934 8.227 1.00 44.00 ATOM 1534 N THR 92 14.181 -32.925 8.820 1.00 1.24 ATOM 1535 HN THR 92 13.717 -32.401 9.510 1.00 37.35 ATOM 1536 CA THR 92 14.568 -32.267 7.558 1.00 44.21 ATOM 1537 HA THR 92 14.031 -32.748 6.752 1.00 61.34 ATOM 1538 CB THR 92 14.214 -30.756 7.552 1.00 32.21 ATOM 1539 HB THR 92 14.665 -30.302 6.678 1.00 12.51 ATOM 1540 OG1 THR 92 14.745 -30.120 8.725 1.00 53.43 ATOM 1541 HG1 THR 92 15.540 -29.627 8.496 1.00 11.14 ATOM 1542 CG2 THR 92 12.707 -30.538 7.483 1.00 22.22 ATOM 1543 HG21 THR 92 12.495 -29.478 7.467 1.00 12.10 ATOM 1544 HG22 THR 92 12.235 -30.986 8.345 1.00 10.23 ATOM 1545 HG23 THR 92 12.319 -30.993 6.582 1.00 23.03 ATOM 1546 C THR 92 16.069 -32.405 7.307 1.00 73.33 ATOM 1547 O THR 92 16.499 -32.825 6.231 1.00 33.35 ATOM 1548 N LYS 93 16.860 -32.057 8.315 1.00 64.15 ATOM 1549 HN LYS 93 16.452 -31.726 9.147 1.00 37.35 ATOM 1550 CA LYS 93 18.317 -32.145 8.225 1.00 20.21 ATOM 1551 HA LYS 93 18.634 -31.525 7.399 1.00 3.33 ATOM 1552 CB LYS 93 18.950 -31.617 9.518 1.00 14.45 ATOM 1553 HB1 LYS 93 18.735 -32.312 10.319 1.00 37.35 ATOM 1554 HB2 LYS 93 18.505 -30.662 9.758 1.00 31.44 ATOM 1555 CG LYS 93 20.462 -31.432 9.439 1.00 54.31 ATOM 1556 HG1 LYS 93 20.913 -32.355 9.099 1.00 37.35 ATOM 1557 HG2 LYS 93 20.836 -31.193 10.424 1.00 23.25 ATOM 1558 CD LYS 93 20.847 -30.309 8.480 1.00 52.44 ATOM 1559 HD1 LYS 93 20.428 -29.380 8.845 1.00 37.35 ATOM 1560 HD2 LYS 93 20.441 -30.527 7.502 1.00 33.12 ATOM 1561 CE LYS 93 22.359 -30.158 8.365 1.00 54.33 ATOM 1562 HE1 LYS 93 22.576 -29.314 7.724 1.00 37.35 ATOM 1563 HE2 LYS 93 22.769 -31.056 7.925 1.00 42.24 ATOM 1564 NZ LYS 93 22.997 -29.935 9.688 1.00 34.12 ATOM 1565 HZ1 LYS 93 22.805 -30.740 10.322 1.00 34.33 ATOM 1566 HZ2 LYS 93 22.625 -29.068 10.124 1.00 61.34 ATOM 1567 HZ3 LYS 93 24.026 -29.837 9.577 1.00 0.11 ATOM 1568 C LYS 93 18.773 -33.591 7.962 1.00 30.31 ATOM 1569 O LYS 93 19.749 -33.828 7.245 1.00 73.33 ATOM 1570 N GLY 94 18.057 -34.553 8.543 1.00 14.32 ATOM 1571 HN GLY 94 17.316 -34.306 9.137 1.00 37.35 ATOM 1572 CA GLY 94 18.364 -35.961 8.320 1.00 62.55 ATOM 1573 HA1 GLY 94 17.750 -36.561 8.978 1.00 37.35 ATOM 1574 HA2 GLY 94 19.403 -36.135 8.561 1.00 72.33 ATOM 1575 C GLY 94 18.111 -36.403 6.883 1.00 44.11 ATOM 1576 O GLY 94 18.808 -37.275 6.362 1.00 72.35 ATOM 1577 N LEU 95 17.118 -35.792 6.237 1.00 43.35 ATOM 1578 HN LEU 95 16.611 -35.089 6.701 1.00 37.35 ATOM 1579 CA LEU 95 16.751 -36.136 4.858 1.00 43.13 ATOM 1580 HA LEU 95 17.014 -37.170 4.689 1.00 74.52 ATOM 1581 CB LEU 95 15.234 -35.971 4.675 1.00 4.44 ATOM 1582 HB1 LEU 95 14.967 -36.351 3.699 1.00 37.35 ATOM 1583 HB2 LEU 95 15.005 -34.914 4.704 1.00 75.12 ATOM 1584 CG LEU 95 14.359 -36.681 5.724 1.00 32.51 ATOM 1585 HG LEU 95 14.606 -36.294 6.703 1.00 64.25 ATOM 1586 CD1 LEU 95 12.880 -36.399 5.477 1.00 62.52 ATOM 1587 HD11 LEU 95 12.287 -36.892 6.234 1.00 15.11 ATOM 1588 HD12 LEU 95 12.599 -36.770 4.502 1.00 74.15 ATOM 1589 HD13 LEU 95 12.704 -35.334 5.521 1.00 31.10 ATOM 1590 CD2 LEU 95 14.625 -38.182 5.734 1.00 74.24 ATOM 1591 HD21 LEU 95 15.663 -38.365 5.975 1.00 40.43 ATOM 1592 HD22 LEU 95 14.403 -38.597 4.761 1.00 64.35 ATOM 1593 HD23 LEU 95 13.996 -38.653 6.477 1.00 61.45 ATOM 1594 C LEU 95 17.502 -35.258 3.836 1.00 2.34 ATOM 1595 O LEU 95 17.144 -35.221 2.660 1.00 5.33 ATOM 1596 N ASN 96 18.541 -34.551 4.305 1.00 13.24 ATOM 1597 HN ASN 96 18.778 -34.640 5.251 1.00 37.35 ATOM 1598 CA ASN 96 19.346 -33.650 3.458 1.00 21.32 ATOM 1599 HA ASN 96 20.169 -33.296 4.063 1.00 65.55 ATOM 1600 CB ASN 96 19.921 -34.421 2.250 1.00 62.53 ATOM 1601 HB1 ASN 96 19.116 -34.661 1.569 1.00 37.35 ATOM 1602 HB2 ASN 96 20.369 -35.340 2.600 1.00 64.01 ATOM 1603 CG ASN 96 20.979 -33.637 1.487 1.00 23.04 ATOM 1604 OD1 ASN 96 20.682 -32.926 0.530 1.00 11.02 ATOM 1605 ND2 ASN 96 22.222 -33.763 1.900 1.00 64.51 ATOM 1606 HD21 ASN 96 22.399 -34.350 2.664 1.00 71.13 ATOM 1607 HD22 ASN 96 22.916 -33.261 1.429 1.00 11.11 ATOM 1608 C ASN 96 18.524 -32.423 3.000 1.00 34.23 ATOM 1609 O ASN 96 18.920 -31.682 2.098 1.00 33.15 ATOM 1610 N LEU 97 17.391 -32.195 3.658 1.00 24.03 ATOM 1611 HN LEU 97 17.137 -32.799 4.386 1.00 37.35 ATOM 1612 CA LEU 97 16.513 -31.067 3.332 1.00 62.32 ATOM 1613 HA LEU 97 16.594 -30.875 2.270 1.00 51.22 ATOM 1614 CB LEU 97 15.053 -31.415 3.671 1.00 74.34 ATOM 1615 HB1 LEU 97 14.422 -30.623 3.294 1.00 37.35 ATOM 1616 HB2 LEU 97 14.954 -31.444 4.750 1.00 12.21 ATOM 1617 CG LEU 97 14.543 -32.749 3.103 1.00 73.43 ATOM 1618 HG LEU 97 15.135 -33.553 3.519 1.00 13.44 ATOM 1619 CD1 LEU 97 13.092 -32.991 3.509 1.00 13.31 ATOM 1620 HD11 LEU 97 13.016 -33.015 4.586 1.00 32.11 ATOM 1621 HD12 LEU 97 12.758 -33.936 3.105 1.00 12.21 ATOM 1622 HD13 LEU 97 12.471 -32.196 3.122 1.00 63.51 ATOM 1623 CD2 LEU 97 14.695 -32.793 1.585 1.00 15.22 ATOM 1624 HD21 LEU 97 15.737 -32.684 1.322 1.00 55.13 ATOM 1625 HD22 LEU 97 14.124 -31.991 1.138 1.00 32.42 ATOM 1626 HD23 LEU 97 14.331 -33.741 1.215 1.00 71.51 ATOM 1627 C LEU 97 16.930 -29.803 4.101 1.00 41.14 ATOM 1628 O LEU 97 17.455 -29.893 5.214 1.00 41.02 ATOM 1629 N PRO 98 16.712 -28.608 3.520 1.00 23.31 ATOM 1630 CA PRO 98 17.001 -27.339 4.203 1.00 61.01 ATOM 1631 HA PRO 98 18.029 -27.299 4.537 1.00 2.23 ATOM 1632 CB PRO 98 16.771 -26.280 3.115 1.00 25.31 ATOM 1633 HB1 PRO 98 17.716 -26.021 2.657 1.00 37.35 ATOM 1634 HB2 PRO 98 16.326 -25.395 3.552 1.00 30.31 ATOM 1635 CG PRO 98 15.851 -26.928 2.134 1.00 41.40 ATOM 1636 HG1 PRO 98 16.024 -26.524 1.146 1.00 37.35 ATOM 1637 HG2 PRO 98 14.824 -26.765 2.430 1.00 73.45 ATOM 1638 CD PRO 98 16.176 -28.398 2.162 1.00 65.13 ATOM 1639 HD1 PRO 98 16.919 -28.636 1.413 1.00 37.35 ATOM 1640 HD2 PRO 98 15.282 -28.987 2.007 1.00 61.12 ATOM 1641 C PRO 98 16.069 -27.102 5.403 1.00 14.11 ATOM 1642 O PRO 98 14.846 -27.139 5.277 1.00 60.31 ATOM 1643 N THR 99 16.654 -26.840 6.566 1.00 60.33 ATOM 1644 HN THR 99 17.633 -26.769 6.599 1.00 37.35 ATOM 1645 CA THR 99 15.881 -26.662 7.806 1.00 22.33 ATOM 1646 HA THR 99 15.143 -27.452 7.849 1.00 42.33 ATOM 1647 CB THR 99 16.795 -26.798 9.051 1.00 52.43 ATOM 1648 HB THR 99 17.300 -27.754 9.004 1.00 41.35 ATOM 1649 OG1 THR 99 16.017 -26.749 10.252 1.00 11.32 ATOM 1650 HG1 THR 99 16.604 -26.846 11.015 1.00 63.21 ATOM 1651 CG2 THR 99 17.850 -25.695 9.084 1.00 52.12 ATOM 1652 HG21 THR 99 18.448 -25.740 8.185 1.00 22.10 ATOM 1653 HG22 THR 99 18.488 -25.831 9.946 1.00 53.55 ATOM 1654 HG23 THR 99 17.365 -24.732 9.145 1.00 21.22 ATOM 1655 C THR 99 15.150 -25.303 7.857 1.00 54.32 ATOM 1656 O THR 99 14.513 -24.966 8.855 1.00 22.43 ATOM 1657 N SER 100 15.238 -24.524 6.776 1.00 51.10 ATOM 1658 HN SER 100 15.756 -24.838 6.006 1.00 37.35 ATOM 1659 CA SER 100 14.597 -23.195 6.717 1.00 13.15 ATOM 1660 HA SER 100 14.350 -22.901 7.729 1.00 22.32 ATOM 1661 CB SER 100 15.575 -22.163 6.136 1.00 22.15 ATOM 1662 HB1 SER 100 15.814 -22.431 5.116 1.00 37.35 ATOM 1663 HB2 SER 100 16.480 -22.158 6.725 1.00 2.43 ATOM 1664 OG SER 100 15.022 -20.852 6.147 1.00 45.32 ATOM 1665 HG SER 100 14.840 -20.574 5.240 1.00 12.21 ATOM 1666 C SER 100 13.298 -23.201 5.884 1.00 32.04 ATOM 1667 O SER 100 12.699 -22.148 5.653 1.00 13.43 ATOM 1668 N ILE 101 12.857 -24.379 5.440 1.00 55.22 ATOM 1669 HN ILE 101 13.371 -25.188 5.647 1.00 37.35 ATOM 1670 CA ILE 101 11.620 -24.495 4.643 1.00 42.24 ATOM 1671 HA ILE 101 11.772 -23.944 3.724 1.00 21.01 ATOM 1672 CB ILE 101 11.315 -25.972 4.276 1.00 42.40 ATOM 1673 HB ILE 101 11.249 -26.536 5.195 1.00 41.43 ATOM 1674 CG1 ILE 101 12.443 -26.558 3.419 1.00 3.45 ATOM 1675 HG11 ILE 101 13.385 -26.413 3.927 1.00 37.35 ATOM 1676 HG12 ILE 101 12.470 -26.045 2.469 1.00 71.04 ATOM 1677 CG2 ILE 101 9.972 -26.094 3.550 1.00 4.54 ATOM 1678 HG21 ILE 101 9.996 -25.509 2.641 1.00 25.12 ATOM 1679 HG22 ILE 101 9.178 -25.732 4.189 1.00 53.13 ATOM 1680 HG23 ILE 101 9.787 -27.130 3.304 1.00 14.20 ATOM 1681 CD1 ILE 101 12.290 -28.040 3.139 1.00 33.13 ATOM 1682 HD11 ILE 101 13.139 -28.387 2.569 1.00 62.14 ATOM 1683 HD12 ILE 101 11.384 -28.212 2.576 1.00 51.35 ATOM 1684 HD13 ILE 101 12.241 -28.580 4.073 1.00 32.23 ATOM 1685 C ILE 101 10.404 -23.901 5.381 1.00 31.50 ATOM 1686 O ILE 101 10.227 -24.111 6.583 1.00 2.54 ATOM 1687 N THR 102 9.572 -23.160 4.647 1.00 71.12 ATOM 1688 HN THR 102 9.769 -23.031 3.696 1.00 37.35 ATOM 1689 CA THR 102 8.367 -22.531 5.212 1.00 1.22 ATOM 1690 HA THR 102 8.686 -21.791 5.933 1.00 25.32 ATOM 1691 CB THR 102 7.548 -21.810 4.112 1.00 51.04 ATOM 1692 HB THR 102 7.250 -22.541 3.372 1.00 5.31 ATOM 1693 OG1 THR 102 8.358 -20.809 3.472 1.00 30.00 ATOM 1694 HG1 THR 102 8.308 -19.986 3.978 1.00 74.22 ATOM 1695 CG2 THR 102 6.291 -21.158 4.684 1.00 13.44 ATOM 1696 HG21 THR 102 5.750 -20.661 3.891 1.00 23.21 ATOM 1697 HG22 THR 102 6.568 -20.436 5.436 1.00 52.11 ATOM 1698 HG23 THR 102 5.660 -21.916 5.128 1.00 34.30 ATOM 1699 C THR 102 7.460 -23.555 5.916 1.00 24.51 ATOM 1700 O THR 102 6.956 -24.486 5.282 1.00 63.14 ATOM 1701 N SER 103 7.278 -23.377 7.232 1.00 74.20 ATOM 1702 HN SER 103 7.751 -22.638 7.673 1.00 37.35 ATOM 1703 CA SER 103 6.412 -24.247 8.056 1.00 41.55 ATOM 1704 HA SER 103 6.566 -23.959 9.087 1.00 1.32 ATOM 1705 CB SER 103 4.922 -24.042 7.711 1.00 54.10 ATOM 1706 HB1 SER 103 4.685 -22.989 7.776 1.00 37.35 ATOM 1707 HB2 SER 103 4.313 -24.587 8.418 1.00 3.43 ATOM 1708 OG SER 103 4.608 -24.499 6.402 1.00 10.44 ATOM 1709 HG SER 103 4.625 -25.468 6.388 1.00 21.40 ATOM 1710 C SER 103 6.786 -25.733 7.918 1.00 52.14 ATOM 1711 O SER 103 5.929 -26.612 8.042 1.00 12.34 ATOM 1712 N ALA 104 8.078 -26.001 7.707 1.00 3.43 ATOM 1713 HN ALA 104 8.715 -25.254 7.682 1.00 37.35 ATOM 1714 CA ALA 104 8.587 -27.368 7.518 1.00 24.23 ATOM 1715 HA ALA 104 8.250 -27.717 6.550 1.00 74.53 ATOM 1716 CB ALA 104 10.112 -27.352 7.506 1.00 60.23 ATOM 1717 HB1 ALA 104 10.459 -26.625 6.788 1.00 14.43 ATOM 1718 HB2 ALA 104 10.483 -28.330 7.234 1.00 61.21 ATOM 1719 HB3 ALA 104 10.479 -27.089 8.488 1.00 11.01 ATOM 1720 C ALA 104 8.083 -28.340 8.597 1.00 14.54 ATOM 1721 O ALA 104 7.573 -29.419 8.286 1.00 54.04 ATOM 1722 N ALA 105 8.217 -27.939 9.859 1.00 42.14 ATOM 1723 HN ALA 105 8.593 -27.048 10.036 1.00 37.35 ATOM 1724 CA ALA 105 7.813 -28.779 10.992 1.00 13.40 ATOM 1725 HA ALA 105 8.406 -29.684 10.963 1.00 32.41 ATOM 1726 CB ALA 105 8.108 -28.062 12.304 1.00 14.31 ATOM 1727 HB1 ALA 105 7.499 -27.171 12.376 1.00 72.23 ATOM 1728 HB2 ALA 105 9.152 -27.786 12.337 1.00 32.04 ATOM 1729 HB3 ALA 105 7.884 -28.718 13.134 1.00 11.45 ATOM 1730 C ALA 105 6.326 -29.159 10.922 1.00 43.13 ATOM 1731 O ALA 105 5.957 -30.327 11.069 1.00 30.22 ATOM 1732 N PHE 106 5.480 -28.164 10.682 1.00 70.44 ATOM 1733 HN PHE 106 5.838 -27.265 10.530 1.00 37.35 ATOM 1734 CA PHE 106 4.030 -28.372 10.635 1.00 44.34 ATOM 1735 HA PHE 106 3.741 -28.889 11.539 1.00 33.44 ATOM 1736 CB PHE 106 3.317 -27.014 10.588 1.00 10.14 ATOM 1737 HB1 PHE 106 3.468 -26.573 9.612 1.00 37.35 ATOM 1738 HB2 PHE 106 3.751 -26.365 11.335 1.00 15.34 ATOM 1739 CG PHE 106 1.830 -27.087 10.846 1.00 21.21 ATOM 1740 CD1 PHE 106 0.917 -27.068 9.798 1.00 42.53 ATOM 1741 HD1 PHE 106 1.278 -27.003 8.781 1.00 42.53 ATOM 1742 CD2 PHE 106 1.346 -27.172 12.146 1.00 54.24 ATOM 1743 HD2 PHE 106 2.044 -27.189 12.972 1.00 74.41 ATOM 1744 CE1 PHE 106 -0.443 -27.132 10.043 1.00 42.30 ATOM 1745 HE1 PHE 106 -1.141 -27.116 9.219 1.00 33.01 ATOM 1746 CE2 PHE 106 -0.013 -27.236 12.394 1.00 71.03 ATOM 1747 HE2 PHE 106 -0.374 -27.300 13.410 1.00 71.43 ATOM 1748 CZ PHE 106 -0.908 -27.215 11.343 1.00 10.23 ATOM 1749 HZ PHE 106 -1.970 -27.265 11.536 1.00 62.10 ATOM 1750 C PHE 106 3.628 -29.232 9.423 1.00 62.33 ATOM 1751 O PHE 106 2.740 -30.085 9.518 1.00 70.35 ATOM 1752 N THR 107 4.295 -29.005 8.291 1.00 5.34 ATOM 1753 HN THR 107 4.978 -28.300 8.278 1.00 37.35 ATOM 1754 CA THR 107 4.035 -29.765 7.058 1.00 2.20 ATOM 1755 HA THR 107 2.982 -29.671 6.828 1.00 42.11 ATOM 1756 CB THR 107 4.841 -29.193 5.862 1.00 43.14 ATOM 1757 HB THR 107 5.895 -29.296 6.076 1.00 54.23 ATOM 1758 OG1 THR 107 4.538 -27.799 5.688 1.00 63.52 ATOM 1759 HG1 THR 107 4.832 -27.511 4.817 1.00 2.02 ATOM 1760 CG2 THR 107 4.530 -29.948 4.570 1.00 13.14 ATOM 1761 HG21 THR 107 3.469 -29.902 4.369 1.00 73.34 ATOM 1762 HG22 THR 107 4.831 -30.981 4.673 1.00 65.53 ATOM 1763 HG23 THR 107 5.072 -29.498 3.749 1.00 25.23 ATOM 1764 C THR 107 4.374 -31.255 7.228 1.00 21.14 ATOM 1765 O THR 107 3.566 -32.127 6.899 1.00 1.32 ATOM 1766 N LEU 108 5.570 -31.544 7.750 1.00 64.20 ATOM 1767 HN LEU 108 6.189 -30.809 7.958 1.00 37.35 ATOM 1768 CA LEU 108 5.985 -32.931 8.023 1.00 42.10 ATOM 1769 HA LEU 108 5.950 -33.476 7.089 1.00 14.12 ATOM 1770 CB LEU 108 7.419 -32.968 8.570 1.00 43.44 ATOM 1771 HB1 LEU 108 7.649 -33.988 8.847 1.00 37.35 ATOM 1772 HB2 LEU 108 7.453 -32.358 9.462 1.00 21.21 ATOM 1773 CG LEU 108 8.511 -32.476 7.610 1.00 44.13 ATOM 1774 HG LEU 108 8.316 -31.442 7.356 1.00 62.32 ATOM 1775 CD1 LEU 108 9.879 -32.541 8.283 1.00 3.00 ATOM 1776 HD11 LEU 108 9.889 -31.891 9.146 1.00 0.02 ATOM 1777 HD12 LEU 108 10.641 -32.224 7.586 1.00 0.04 ATOM 1778 HD13 LEU 108 10.081 -33.556 8.597 1.00 62.35 ATOM 1779 CD2 LEU 108 8.503 -33.289 6.316 1.00 4.23 ATOM 1780 HD21 LEU 108 9.298 -32.945 5.669 1.00 64.15 ATOM 1781 HD22 LEU 108 7.555 -33.163 5.814 1.00 33.21 ATOM 1782 HD23 LEU 108 8.653 -34.335 6.544 1.00 40.05 ATOM 1783 C LEU 108 5.033 -33.603 9.022 1.00 13.25 ATOM 1784 O LEU 108 4.648 -34.763 8.851 1.00 24.01 ATOM 1785 N ARG 109 4.665 -32.856 10.062 1.00 5.13 ATOM 1786 HN ARG 109 5.083 -31.976 10.178 1.00 37.35 ATOM 1787 CA ARG 109 3.675 -33.299 11.048 1.00 63.33 ATOM 1788 HA ARG 109 4.107 -34.108 11.620 1.00 65.43 ATOM 1789 CB ARG 109 3.367 -32.115 11.994 1.00 74.50 ATOM 1790 HB1 ARG 109 2.907 -31.327 11.414 1.00 37.35 ATOM 1791 HB2 ARG 109 4.304 -31.742 12.383 1.00 13.41 ATOM 1792 CG ARG 109 2.457 -32.411 13.194 1.00 74.24 ATOM 1793 HG1 ARG 109 2.524 -31.583 13.888 1.00 37.35 ATOM 1794 HG2 ARG 109 2.810 -33.308 13.680 1.00 63.14 ATOM 1795 CD ARG 109 0.989 -32.611 12.808 1.00 72.30 ATOM 1796 HD1 ARG 109 0.379 -32.490 13.694 1.00 37.35 ATOM 1797 HD2 ARG 109 0.864 -33.615 12.427 1.00 51.05 ATOM 1798 NE ARG 109 0.540 -31.659 11.786 1.00 11.31 ATOM 1799 HE ARG 109 1.185 -31.393 11.099 1.00 23.41 ATOM 1800 CZ ARG 109 -0.674 -31.181 11.699 1.00 44.33 ATOM 1801 NH1 ARG 109 -1.567 -31.457 12.596 1.00 50.32 ATOM 1802 HH11 ARG 109 -1.338 -32.040 13.364 1.00 41.14 ATOM 1803 HH12 ARG 109 -2.490 -31.079 12.509 1.00 73.34 ATOM 1804 NH2 ARG 109 -0.992 -30.421 10.704 1.00 3.22 ATOM 1805 HH21 ARG 109 -0.314 -30.208 10.002 1.00 62.43 ATOM 1806 HH22 ARG 109 -1.917 -30.052 10.633 1.00 25.14 ATOM 1807 C ARG 109 2.399 -33.801 10.346 1.00 11.14 ATOM 1808 O ARG 109 1.852 -34.851 10.695 1.00 62.33 ATOM 1809 N THR 110 1.936 -33.038 9.356 1.00 52.33 ATOM 1810 HN THR 110 2.422 -32.216 9.123 1.00 37.35 ATOM 1811 CA THR 110 0.726 -33.383 8.602 1.00 52.31 ATOM 1812 HA THR 110 -0.067 -33.576 9.313 1.00 21.51 ATOM 1813 CB THR 110 0.277 -32.216 7.682 1.00 60.01 ATOM 1814 HB THR 110 1.032 -32.067 6.923 1.00 23.20 ATOM 1815 OG1 THR 110 0.135 -31.000 8.437 1.00 62.21 ATOM 1816 HG1 THR 110 -0.189 -30.302 7.850 1.00 22.23 ATOM 1817 CG2 THR 110 -1.045 -32.539 6.991 1.00 34.01 ATOM 1818 HG21 THR 110 -1.344 -31.705 6.372 1.00 35.24 ATOM 1819 HG22 THR 110 -1.806 -32.723 7.736 1.00 51.13 ATOM 1820 HG23 THR 110 -0.927 -33.418 6.373 1.00 24.03 ATOM 1821 C THR 110 0.933 -34.634 7.729 1.00 64.53 ATOM 1822 O THR 110 0.214 -35.626 7.861 1.00 65.12 ATOM 1823 N GLN 111 1.932 -34.584 6.847 1.00 62.42 ATOM 1824 HN GLN 111 2.542 -33.814 6.864 1.00 37.35 ATOM 1825 CA GLN 111 2.149 -35.647 5.855 1.00 42.05 ATOM 1826 HA GLN 111 1.235 -35.739 5.284 1.00 41.40 ATOM 1827 CB GLN 111 3.281 -35.258 4.893 1.00 62.43 ATOM 1828 HB1 GLN 111 3.385 -36.032 4.145 1.00 37.35 ATOM 1829 HB2 GLN 111 4.205 -35.186 5.452 1.00 42.21 ATOM 1830 CG GLN 111 3.048 -33.928 4.179 1.00 54.53 ATOM 1831 HG1 GLN 111 3.851 -33.770 3.472 1.00 37.35 ATOM 1832 HG2 GLN 111 3.061 -33.135 4.913 1.00 41.24 ATOM 1833 CD GLN 111 1.722 -33.869 3.429 1.00 63.32 ATOM 1834 OE1 GLN 111 1.213 -34.875 2.941 1.00 64.02 ATOM 1835 NE2 GLN 111 1.146 -32.686 3.337 1.00 12.24 ATOM 1836 HE21 GLN 111 1.593 -31.917 3.749 1.00 0.04 ATOM 1837 HE22 GLN 111 0.291 -32.625 2.863 1.00 72.34 ATOM 1838 C GLN 111 2.442 -37.011 6.506 1.00 75.23 ATOM 1839 O GLN 111 1.931 -38.042 6.056 1.00 61.12 ATOM 1840 N TYR 112 3.255 -37.021 7.563 1.00 61.12 ATOM 1841 HN TYR 112 3.666 -36.181 7.863 1.00 37.35 ATOM 1842 CA TYR 112 3.548 -38.267 8.284 1.00 64.02 ATOM 1843 HA TYR 112 3.996 -38.955 7.581 1.00 62.41 ATOM 1844 CB TYR 112 4.535 -38.014 9.436 1.00 40.23 ATOM 1845 HB1 TYR 112 4.049 -37.417 10.196 1.00 37.35 ATOM 1846 HB2 TYR 112 5.389 -37.471 9.055 1.00 63.22 ATOM 1847 CG TYR 112 5.048 -39.289 10.095 1.00 50.43 ATOM 1848 CD1 TYR 112 4.320 -39.930 11.096 1.00 1.53 ATOM 1849 HD1 TYR 112 3.376 -39.509 11.409 1.00 63.45 ATOM 1850 CD2 TYR 112 6.260 -39.852 9.710 1.00 72.40 ATOM 1851 HD2 TYR 112 6.841 -39.372 8.936 1.00 12.41 ATOM 1852 CE1 TYR 112 4.786 -41.088 11.689 1.00 64.11 ATOM 1853 HE1 TYR 112 4.205 -41.569 12.462 1.00 53.42 ATOM 1854 CE2 TYR 112 6.729 -41.011 10.300 1.00 45.43 ATOM 1855 HE2 TYR 112 7.672 -41.431 9.986 1.00 15.53 ATOM 1856 CZ TYR 112 5.989 -41.624 11.287 1.00 44.32 ATOM 1857 OH TYR 112 6.460 -42.776 11.876 1.00 30.33 ATOM 1858 HH TYR 112 7.376 -42.652 12.132 1.00 54.43 ATOM 1859 C TYR 112 2.251 -38.888 8.827 1.00 20.30 ATOM 1860 O TYR 112 2.017 -40.090 8.692 1.00 52.35 ATOM 1861 N MET 113 1.412 -38.046 9.429 1.00 52.11 ATOM 1862 HN MET 113 1.675 -37.105 9.525 1.00 37.35 ATOM 1863 CA MET 113 0.106 -38.470 9.950 1.00 74.33 ATOM 1864 HA MET 113 0.276 -39.192 10.735 1.00 21.22 ATOM 1865 CB MET 113 -0.628 -37.257 10.532 1.00 22.34 ATOM 1866 HB1 MET 113 -0.784 -36.536 9.743 1.00 37.35 ATOM 1867 HB2 MET 113 -0.003 -36.807 11.292 1.00 70.05 ATOM 1868 CG MET 113 -1.980 -37.578 11.159 1.00 60.10 ATOM 1869 HG1 MET 113 -1.820 -38.148 12.063 1.00 37.35 ATOM 1870 HG2 MET 113 -2.560 -38.165 10.461 1.00 32.33 ATOM 1871 SD MET 113 -2.911 -36.088 11.573 1.00 53.42 ATOM 1872 CE MET 113 -1.719 -35.226 12.589 1.00 32.32 ATOM 1873 HE1 MET 113 -0.828 -35.029 12.011 1.00 2.33 ATOM 1874 HE2 MET 113 -1.466 -35.834 13.445 1.00 64.34 ATOM 1875 HE3 MET 113 -2.144 -34.291 12.924 1.00 23.52 ATOM 1876 C MET 113 -0.756 -39.112 8.850 1.00 44.45 ATOM 1877 O MET 113 -1.434 -40.116 9.075 1.00 73.14 ATOM 1878 N LYS 114 -0.713 -38.519 7.661 1.00 54.24 ATOM 1879 HN LYS 114 -0.122 -37.743 7.546 1.00 37.35 ATOM 1880 CA LYS 114 -1.519 -38.968 6.522 1.00 32.43 ATOM 1881 HA LYS 114 -2.549 -39.016 6.846 1.00 4.04 ATOM 1882 CB LYS 114 -1.409 -37.945 5.381 1.00 20.03 ATOM 1883 HB1 LYS 114 -1.939 -38.325 4.520 1.00 37.35 ATOM 1884 HB2 LYS 114 -0.366 -37.823 5.122 1.00 60.02 ATOM 1885 CG LYS 114 -1.979 -36.569 5.721 1.00 34.44 ATOM 1886 HG1 LYS 114 -1.562 -36.241 6.664 1.00 37.35 ATOM 1887 HG2 LYS 114 -3.053 -36.648 5.812 1.00 0.23 ATOM 1888 CD LYS 114 -1.649 -35.533 4.647 1.00 21.31 ATOM 1889 HD1 LYS 114 -0.578 -35.383 4.626 1.00 37.35 ATOM 1890 HD2 LYS 114 -2.135 -34.602 4.899 1.00 40.05 ATOM 1891 CE LYS 114 -2.114 -35.969 3.260 1.00 35.55 ATOM 1892 HE1 LYS 114 -3.182 -36.139 3.285 1.00 37.35 ATOM 1893 HE2 LYS 114 -1.611 -36.888 2.995 1.00 61.42 ATOM 1894 NZ LYS 114 -1.811 -34.941 2.227 1.00 34.23 ATOM 1895 HZ1 LYS 114 -2.181 -35.242 1.302 1.00 21.51 ATOM 1896 HZ2 LYS 114 -0.783 -34.801 2.145 1.00 52.24 ATOM 1897 HZ3 LYS 114 -2.252 -34.035 2.484 1.00 60.52 ATOM 1898 C LYS 114 -1.099 -40.358 6.008 1.00 23.25 ATOM 1899 O LYS 114 -1.952 -41.205 5.729 1.00 33.44 ATOM 1900 N TYR 115 0.207 -40.586 5.871 1.00 44.11 ATOM 1901 HN TYR 115 0.846 -39.919 6.201 1.00 37.35 ATOM 1902 CA TYR 115 0.708 -41.810 5.224 1.00 34.44 ATOM 1903 HA TYR 115 -0.134 -42.302 4.759 1.00 20.21 ATOM 1904 CB TYR 115 1.714 -41.432 4.121 1.00 43.21 ATOM 1905 HB1 TYR 115 2.072 -42.336 3.645 1.00 37.35 ATOM 1906 HB2 TYR 115 2.551 -40.915 4.568 1.00 32.21 ATOM 1907 CG TYR 115 1.129 -40.533 3.040 1.00 13.33 ATOM 1908 CD1 TYR 115 0.425 -41.071 1.967 1.00 53.42 ATOM 1909 HD1 TYR 115 0.303 -42.143 1.905 1.00 73.21 ATOM 1910 CD2 TYR 115 1.273 -39.149 3.096 1.00 63.54 ATOM 1911 HD2 TYR 115 1.820 -38.710 3.918 1.00 64.23 ATOM 1912 CE1 TYR 115 -0.118 -40.261 0.988 1.00 41.35 ATOM 1913 HE1 TYR 115 -0.660 -40.702 0.164 1.00 13.50 ATOM 1914 CE2 TYR 115 0.733 -38.334 2.117 1.00 72.31 ATOM 1915 HE2 TYR 115 0.854 -37.262 2.180 1.00 52.34 ATOM 1916 CZ TYR 115 0.037 -38.896 1.067 1.00 13.11 ATOM 1917 OH TYR 115 -0.506 -38.090 0.092 1.00 21.24 ATOM 1918 HH TYR 115 0.186 -37.536 -0.286 1.00 54.41 ATOM 1919 C TYR 115 1.362 -42.803 6.211 1.00 4.11 ATOM 1920 O TYR 115 1.012 -43.982 6.236 1.00 73.12 ATOM 1921 N LEU 116 2.291 -42.321 7.033 1.00 4.01 ATOM 1922 HN LEU 116 2.406 -41.351 7.108 1.00 37.35 ATOM 1923 CA LEU 116 3.151 -43.210 7.836 1.00 5.15 ATOM 1924 HA LEU 116 3.224 -44.151 7.308 1.00 71.41 ATOM 1925 CB LEU 116 4.559 -42.607 7.932 1.00 44.34 ATOM 1926 HB1 LEU 116 5.115 -43.156 8.679 1.00 37.35 ATOM 1927 HB2 LEU 116 4.463 -41.581 8.264 1.00 54.34 ATOM 1928 CG LEU 116 5.367 -42.619 6.622 1.00 52.51 ATOM 1929 HG LEU 116 4.782 -42.150 5.842 1.00 52.13 ATOM 1930 CD1 LEU 116 6.665 -41.832 6.771 1.00 44.32 ATOM 1931 HD11 LEU 116 6.438 -40.799 6.992 1.00 13.22 ATOM 1932 HD12 LEU 116 7.228 -41.885 5.851 1.00 71.42 ATOM 1933 HD13 LEU 116 7.254 -42.250 7.577 1.00 13.32 ATOM 1934 CD2 LEU 116 5.663 -44.051 6.189 1.00 25.50 ATOM 1935 HD21 LEU 116 4.733 -44.583 6.045 1.00 62.03 ATOM 1936 HD22 LEU 116 6.246 -44.548 6.952 1.00 74.41 ATOM 1937 HD23 LEU 116 6.218 -44.042 5.262 1.00 10.21 ATOM 1938 C LEU 116 2.607 -43.499 9.248 1.00 15.44 ATOM 1939 O LEU 116 2.961 -44.517 9.849 1.00 41.23 ATOM 1940 N TYR 117 1.748 -42.625 9.777 1.00 73.13 ATOM 1941 HN TYR 117 1.444 -41.865 9.237 1.00 37.35 ATOM 1942 CA TYR 117 1.246 -42.784 11.155 1.00 43.23 ATOM 1943 HA TYR 117 2.105 -42.707 11.808 1.00 30.13 ATOM 1944 CB TYR 117 0.260 -41.667 11.534 1.00 52.24 ATOM 1945 HB1 TYR 117 -0.525 -41.616 10.791 1.00 37.35 ATOM 1946 HB2 TYR 117 0.787 -40.724 11.558 1.00 0.32 ATOM 1947 CG TYR 117 -0.386 -41.878 12.894 1.00 71.43 ATOM 1948 CD1 TYR 117 -1.715 -42.276 13.005 1.00 13.45 ATOM 1949 HD1 TYR 117 -2.299 -42.416 12.106 1.00 74.55 ATOM 1950 CD2 TYR 117 0.345 -41.704 14.066 1.00 53.13 ATOM 1951 HD2 TYR 117 1.379 -41.394 14.000 1.00 71.01 ATOM 1952 CE1 TYR 117 -2.295 -42.493 14.240 1.00 75.05 ATOM 1953 HE1 TYR 117 -3.329 -42.803 14.305 1.00 74.04 ATOM 1954 CE2 TYR 117 -0.230 -41.915 15.304 1.00 41.43 ATOM 1955 HE2 TYR 117 0.355 -41.771 16.202 1.00 61.44 ATOM 1956 CZ TYR 117 -1.548 -42.309 15.386 1.00 53.53 ATOM 1957 OH TYR 117 -2.120 -42.528 16.617 1.00 4.52 ATOM 1958 HH TYR 117 -2.555 -43.388 16.621 1.00 53.10 ATOM 1959 C TYR 117 0.597 -44.165 11.395 1.00 25.25 ATOM 1960 O TYR 117 0.934 -44.839 12.372 1.00 50.53 ATOM 1961 N PRO 118 -0.346 -44.617 10.529 1.00 70.30 ATOM 1962 CA PRO 118 -0.954 -45.951 10.676 1.00 33.21 ATOM 1963 HA PRO 118 -1.598 -45.994 11.543 1.00 21.00 ATOM 1964 CB PRO 118 -1.792 -46.106 9.399 1.00 60.10 ATOM 1965 HB1 PRO 118 -2.693 -46.661 9.619 1.00 37.35 ATOM 1966 HB2 PRO 118 -1.218 -46.628 8.644 1.00 54.24 ATOM 1967 CG PRO 118 -2.103 -44.710 8.980 1.00 25.34 ATOM 1968 HG1 PRO 118 -2.981 -44.356 9.500 1.00 37.35 ATOM 1969 HG2 PRO 118 -2.260 -44.672 7.910 1.00 22.14 ATOM 1970 CD PRO 118 -0.901 -43.889 9.363 1.00 74.13 ATOM 1971 HD1 PRO 118 -1.202 -42.888 9.638 1.00 37.35 ATOM 1972 HD2 PRO 118 -0.187 -43.858 8.550 1.00 12.11 ATOM 1973 C PRO 118 0.100 -47.068 10.770 1.00 20.42 ATOM 1974 O PRO 118 -0.086 -48.061 11.477 1.00 44.51 ATOM 1975 N TYR 119 1.216 -46.884 10.065 1.00 51.51 ATOM 1976 HN TYR 119 1.325 -46.050 9.558 1.00 37.35 ATOM 1977 CA TYR 119 2.288 -47.882 10.031 1.00 14.32 ATOM 1978 HA TYR 119 1.830 -48.852 9.894 1.00 43.41 ATOM 1979 CB TYR 119 3.229 -47.603 8.848 1.00 55.01 ATOM 1980 HB1 TYR 119 3.937 -46.835 9.131 1.00 37.35 ATOM 1981 HB2 TYR 119 2.645 -47.248 8.011 1.00 42.51 ATOM 1982 CG TYR 119 4.017 -48.818 8.381 1.00 42.42 ATOM 1983 CD1 TYR 119 5.308 -49.066 8.841 1.00 24.01 ATOM 1984 HD1 TYR 119 5.755 -48.381 9.549 1.00 21.01 ATOM 1985 CD2 TYR 119 3.465 -49.716 7.471 1.00 1.04 ATOM 1986 HD2 TYR 119 2.464 -49.540 7.102 1.00 3.13 ATOM 1987 CE1 TYR 119 6.020 -50.172 8.409 1.00 45.55 ATOM 1988 HE1 TYR 119 7.021 -50.346 8.778 1.00 12.43 ATOM 1989 CE2 TYR 119 4.171 -50.821 7.037 1.00 44.22 ATOM 1990 HE2 TYR 119 3.721 -51.504 6.331 1.00 24.03 ATOM 1991 CZ TYR 119 5.448 -51.045 7.507 1.00 33.11 ATOM 1992 OH TYR 119 6.154 -52.147 7.072 1.00 73.03 ATOM 1993 HH TYR 119 6.076 -52.219 6.116 1.00 14.12 ATOM 1994 C TYR 119 3.077 -47.891 11.354 1.00 75.33 ATOM 1995 O TYR 119 3.435 -48.957 11.864 1.00 3.23 ATOM 1996 N GLU 120 3.341 -46.699 11.906 1.00 24.32 ATOM 1997 HN GLU 120 3.072 -45.884 11.429 1.00 37.35 ATOM 1998 CA GLU 120 4.028 -46.576 13.204 1.00 74.22 ATOM 1999 HA GLU 120 4.980 -47.083 13.123 1.00 12.55 ATOM 2000 CB GLU 120 4.277 -45.093 13.555 1.00 71.24 ATOM 2001 HB1 GLU 120 3.323 -44.615 13.736 1.00 37.35 ATOM 2002 HB2 GLU 120 4.748 -44.613 12.708 1.00 24.14 ATOM 2003 CG GLU 120 5.170 -44.878 14.790 1.00 63.04 ATOM 2004 HG1 GLU 120 6.053 -44.330 14.486 1.00 37.35 ATOM 2005 HG2 GLU 120 5.473 -45.843 15.170 1.00 43.54 ATOM 2006 CD GLU 120 4.487 -44.110 15.923 1.00 52.04 ATOM 2007 OE1 GLU 120 3.815 -44.749 16.764 1.00 3.40 ATOM 2008 OE2 GLU 120 4.644 -42.868 15.993 1.00 73.22 ATOM 2009 C GLU 120 3.206 -47.244 14.316 1.00 71.04 ATOM 2010 O GLU 120 3.711 -48.080 15.063 1.00 45.00 ATOM 2011 N CYS 121 1.928 -46.881 14.400 1.00 60.34 ATOM 2012 HN CYS 121 1.590 -46.197 13.781 1.00 37.35 ATOM 2013 CA CYS 121 1.014 -47.457 15.397 1.00 54.34 ATOM 2014 HA CYS 121 1.438 -47.273 16.374 1.00 43.25 ATOM 2015 CB CYS 121 -0.357 -46.772 15.319 1.00 52.41 ATOM 2016 HB1 CYS 121 -0.788 -46.952 14.344 1.00 37.35 ATOM 2017 HB2 CYS 121 -0.229 -45.709 15.458 1.00 13.24 ATOM 2018 SG CYS 121 -1.545 -47.343 16.558 1.00 10.32 ATOM 2019 HG CYS 121 -1.045 -47.064 17.756 1.00 15.40 ATOM 2020 C CYS 121 0.852 -48.978 15.212 1.00 0.40 ATOM 2021 O CYS 121 0.578 -49.706 16.166 1.00 2.50 ATOM 2022 N GLU 122 1.007 -49.451 13.975 1.00 3.13 ATOM 2023 HN GLU 122 1.183 -48.818 13.246 1.00 37.35 ATOM 2024 CA GLU 122 0.910 -50.886 13.667 1.00 70.03 ATOM 2025 HA GLU 122 0.051 -51.278 14.195 1.00 2.44 ATOM 2026 CB GLU 122 0.693 -51.089 12.157 1.00 65.11 ATOM 2027 HB1 GLU 122 1.466 -50.553 11.622 1.00 37.35 ATOM 2028 HB2 GLU 122 -0.267 -50.671 11.886 1.00 41.11 ATOM 2029 CG GLU 122 0.723 -52.550 11.701 1.00 73.02 ATOM 2030 HG1 GLU 122 1.707 -52.953 11.904 1.00 37.35 ATOM 2031 HG2 GLU 122 0.539 -52.583 10.637 1.00 1.34 ATOM 2032 CD GLU 122 -0.317 -53.420 12.394 1.00 15.04 ATOM 2033 OE1 GLU 122 0.039 -54.526 12.859 1.00 24.35 ATOM 2034 OE2 GLU 122 -1.492 -53.005 12.482 1.00 71.11 ATOM 2035 C GLU 122 2.160 -51.661 14.122 1.00 14.24 ATOM 2036 O GLU 122 2.094 -52.493 15.032 1.00 13.14 ATOM 2037 N LYS 123 3.295 -51.376 13.486 1.00 0.22 ATOM 2038 HN LYS 123 3.301 -50.642 12.832 1.00 37.35 ATOM 2039 CA LYS 123 4.541 -52.118 13.736 1.00 50.24 ATOM 2040 HA LYS 123 4.297 -53.172 13.760 1.00 61.21 ATOM 2041 CB LYS 123 5.538 -51.869 12.593 1.00 20.32 ATOM 2042 HB1 LYS 123 6.423 -52.467 12.766 1.00 37.35 ATOM 2043 HB2 LYS 123 5.819 -50.825 12.598 1.00 21.53 ATOM 2044 CG LYS 123 4.997 -52.209 11.202 1.00 12.44 ATOM 2045 HG1 LYS 123 5.738 -51.935 10.463 1.00 37.35 ATOM 2046 HG2 LYS 123 4.095 -51.640 11.031 1.00 54.14 ATOM 2047 CD LYS 123 4.674 -53.695 11.051 1.00 10.14 ATOM 2048 HD1 LYS 123 3.941 -53.974 11.795 1.00 37.35 ATOM 2049 HD2 LYS 123 5.578 -54.268 11.203 1.00 40.45 ATOM 2050 CE LYS 123 4.117 -54.012 9.665 1.00 43.00 ATOM 2051 HE1 LYS 123 4.860 -53.755 8.922 1.00 37.35 ATOM 2052 HE2 LYS 123 3.230 -53.419 9.502 1.00 32.01 ATOM 2053 NZ LYS 123 3.766 -55.449 9.518 1.00 3.11 ATOM 2054 HZ1 LYS 123 4.617 -56.039 9.620 1.00 32.53 ATOM 2055 HZ2 LYS 123 3.345 -55.625 8.583 1.00 52.24 ATOM 2056 HZ3 LYS 123 3.079 -55.726 10.247 1.00 70.51 ATOM 2057 C LYS 123 5.179 -51.732 15.082 1.00 62.23 ATOM 2058 O LYS 123 6.034 -52.448 15.606 1.00 51.25 ATOM 2059 N ARG 124 4.767 -50.593 15.629 1.00 1.54 ATOM 2060 HN ARG 124 4.092 -50.059 15.158 1.00 37.35 ATOM 2061 CA ARG 124 5.286 -50.104 16.912 1.00 5.13 ATOM 2062 HA ARG 124 5.874 -50.890 17.363 1.00 3.43 ATOM 2063 CB ARG 124 6.184 -48.875 16.682 1.00 51.03 ATOM 2064 HB1 ARG 124 6.481 -48.478 17.643 1.00 37.35 ATOM 2065 HB2 ARG 124 5.614 -48.121 16.158 1.00 21.21 ATOM 2066 CG ARG 124 7.449 -49.159 15.875 1.00 72.13 ATOM 2067 HG1 ARG 124 7.962 -48.226 15.688 1.00 37.35 ATOM 2068 HG2 ARG 124 7.172 -49.612 14.932 1.00 2.42 ATOM 2069 CD ARG 124 8.388 -50.100 16.619 1.00 24.22 ATOM 2070 HD1 ARG 124 7.900 -51.055 16.738 1.00 37.35 ATOM 2071 HD2 ARG 124 8.594 -49.681 17.593 1.00 34.20 ATOM 2072 NE ARG 124 9.651 -50.297 15.912 1.00 15.51 ATOM 2073 HE ARG 124 9.635 -50.252 14.936 1.00 11.34 ATOM 2074 CZ ARG 124 10.794 -50.516 16.506 1.00 71.31 ATOM 2075 NH1 ARG 124 10.855 -50.625 17.797 1.00 14.52 ATOM 2076 HH11 ARG 124 10.024 -50.547 18.346 1.00 4.21 ATOM 2077 HH12 ARG 124 11.734 -50.777 18.245 1.00 73.31 ATOM 2078 NH2 ARG 124 11.872 -50.640 15.802 1.00 54.44 ATOM 2079 HH21 ARG 124 11.830 -50.568 14.808 1.00 72.34 ATOM 2080 HH22 ARG 124 12.745 -50.804 16.256 1.00 74.22 ATOM 2081 C ARG 124 4.144 -49.732 17.871 1.00 70.11 ATOM 2082 O ARG 124 2.969 -49.951 17.581 1.00 2.33 ATOM 2083 N GLY 125 4.505 -49.185 19.024 1.00 31.20 ATOM 2084 HN GLY 125 5.458 -49.137 19.251 1.00 37.35 ATOM 2085 CA GLY 125 3.517 -48.669 19.966 1.00 31.04 ATOM 2086 HA1 GLY 125 3.377 -49.390 20.758 1.00 37.35 ATOM 2087 HA2 GLY 125 2.576 -48.520 19.453 1.00 34.24 ATOM 2088 C GLY 125 3.963 -47.348 20.570 1.00 33.24 ATOM 2089 O GLY 125 3.753 -47.092 21.757 1.00 20.24 ATOM 2090 N LEU 126 4.574 -46.506 19.738 1.00 54.35 ATOM 2091 HN LEU 126 4.587 -46.715 18.779 1.00 37.35 ATOM 2092 CA LEU 126 5.210 -45.270 20.199 1.00 41.02 ATOM 2093 HA LEU 126 5.763 -45.502 21.099 1.00 0.43 ATOM 2094 CB LEU 126 6.197 -44.758 19.135 1.00 41.04 ATOM 2095 HB1 LEU 126 6.699 -43.885 19.529 1.00 37.35 ATOM 2096 HB2 LEU 126 5.629 -44.462 18.264 1.00 64.13 ATOM 2097 CG LEU 126 7.272 -45.767 18.687 1.00 0.21 ATOM 2098 HG LEU 126 6.782 -46.639 18.278 1.00 43.23 ATOM 2099 CD1 LEU 126 8.153 -45.174 17.587 1.00 24.42 ATOM 2100 HD11 LEU 126 7.540 -44.907 16.738 1.00 12.30 ATOM 2101 HD12 LEU 126 8.889 -45.903 17.281 1.00 54.43 ATOM 2102 HD13 LEU 126 8.654 -44.292 17.959 1.00 31.32 ATOM 2103 CD2 LEU 126 8.122 -46.217 19.872 1.00 43.30 ATOM 2104 HD21 LEU 126 8.643 -45.367 20.289 1.00 13.00 ATOM 2105 HD22 LEU 126 8.841 -46.954 19.542 1.00 22.24 ATOM 2106 HD23 LEU 126 7.485 -46.654 20.627 1.00 35.51 ATOM 2107 C LEU 126 4.180 -44.178 20.524 1.00 44.30 ATOM 2108 O LEU 126 4.171 -43.632 21.629 1.00 43.51 ATOM 2109 N SER 127 3.311 -43.863 19.565 1.00 60.13 ATOM 2110 HN SER 127 3.325 -44.365 18.717 1.00 37.35 ATOM 2111 CA SER 127 2.338 -42.772 19.738 1.00 33.12 ATOM 2112 HA SER 127 2.527 -42.307 20.697 1.00 21.32 ATOM 2113 CB SER 127 2.517 -41.719 18.641 1.00 30.03 ATOM 2114 HB1 SER 127 1.972 -40.830 18.919 1.00 37.35 ATOM 2115 HB2 SER 127 2.130 -42.096 17.710 1.00 10.45 ATOM 2116 OG SER 127 3.884 -41.374 18.458 1.00 5.35 ATOM 2117 HG SER 127 4.255 -41.933 17.756 1.00 34.13 ATOM 2118 C SER 127 0.887 -43.277 19.716 1.00 71.41 ATOM 2119 O SER 127 0.563 -44.255 19.041 1.00 61.15 ATOM 2120 N ASN 128 0.016 -42.598 20.465 1.00 4.11 ATOM 2121 HN ASN 128 0.349 -41.871 21.032 1.00 37.35 ATOM 2122 CA ASN 128 -1.422 -42.911 20.485 1.00 35.53 ATOM 2123 HA ASN 128 -1.578 -43.837 19.950 1.00 64.04 ATOM 2124 CB ASN 128 -1.905 -43.077 21.933 1.00 4.31 ATOM 2125 HB1 ASN 128 -2.906 -43.487 21.928 1.00 37.35 ATOM 2126 HB2 ASN 128 -1.923 -42.108 22.412 1.00 31.42 ATOM 2127 CG ASN 128 -1.016 -43.994 22.747 1.00 3.43 ATOM 2128 OD1 ASN 128 -0.410 -44.925 22.226 1.00 45.15 ATOM 2129 ND2 ASN 128 -0.932 -43.733 24.035 1.00 31.50 ATOM 2130 HD21 ASN 128 -1.443 -42.977 24.387 1.00 14.14 ATOM 2131 HD22 ASN 128 -0.344 -44.288 24.581 1.00 11.32 ATOM 2132 C ASN 128 -2.237 -41.792 19.808 1.00 14.40 ATOM 2133 O ASN 128 -1.835 -40.628 19.832 1.00 40.53 ATOM 2134 N PRO 129 -3.411 -42.114 19.222 1.00 75.24 ATOM 2135 CA PRO 129 -4.267 -41.105 18.564 1.00 51.41 ATOM 2136 HA PRO 129 -3.740 -40.606 17.761 1.00 41.43 ATOM 2137 CB PRO 129 -5.424 -41.938 17.984 1.00 73.30 ATOM 2138 HB1 PRO 129 -5.235 -42.144 16.940 1.00 37.35 ATOM 2139 HB2 PRO 129 -6.354 -41.395 18.083 1.00 44.13 ATOM 2140 CG PRO 129 -5.435 -43.195 18.791 1.00 44.52 ATOM 2141 HG1 PRO 129 -5.839 -44.008 18.203 1.00 37.35 ATOM 2142 HG2 PRO 129 -6.023 -43.053 19.688 1.00 13.13 ATOM 2143 CD PRO 129 -3.997 -43.468 19.145 1.00 34.24 ATOM 2144 HD1 PRO 129 -3.518 -44.052 18.370 1.00 37.35 ATOM 2145 HD2 PRO 129 -3.929 -43.975 20.097 1.00 11.11 ATOM 2146 C PRO 129 -4.794 -40.051 19.553 1.00 1.15 ATOM 2147 O PRO 129 -4.924 -38.869 19.219 1.00 73.35 ATOM 2148 N ASN 130 -5.084 -40.490 20.776 1.00 4.01 ATOM 2149 HN ASN 130 -4.983 -41.443 20.971 1.00 37.35 ATOM 2150 CA ASN 130 -5.562 -39.592 21.829 1.00 51.12 ATOM 2151 HA ASN 130 -6.444 -39.087 21.456 1.00 42.12 ATOM 2152 CB ASN 130 -5.942 -40.395 23.078 1.00 51.04 ATOM 2153 HB1 ASN 130 -6.388 -39.732 23.806 1.00 37.35 ATOM 2154 HB2 ASN 130 -5.051 -40.835 23.500 1.00 22.31 ATOM 2155 CG ASN 130 -6.927 -41.510 22.777 1.00 24.51 ATOM 2156 OD1 ASN 130 -8.135 -41.312 22.782 1.00 42.21 ATOM 2157 ND2 ASN 130 -6.421 -42.704 22.531 1.00 1.23 ATOM 2158 HD21 ASN 130 -5.450 -42.814 22.558 1.00 63.34 ATOM 2159 HD22 ASN 130 -7.045 -43.436 22.342 1.00 52.54 ATOM 2160 C ASN 130 -4.499 -38.535 22.183 1.00 23.55 ATOM 2161 O ASN 130 -4.779 -37.333 22.191 1.00 74.14 ATOM 2162 N GLU 131 -3.276 -38.988 22.467 1.00 24.52 ATOM 2163 HN GLU 131 -3.114 -39.954 22.478 1.00 37.35 ATOM 2164 CA GLU 131 -2.173 -38.073 22.784 1.00 52.31 ATOM 2165 HA GLU 131 -2.535 -37.394 23.546 1.00 41.22 ATOM 2166 CB GLU 131 -0.961 -38.836 23.350 1.00 11.20 ATOM 2167 HB1 GLU 131 -1.306 -39.475 24.151 1.00 37.35 ATOM 2168 HB2 GLU 131 -0.263 -38.124 23.760 1.00 54.44 ATOM 2169 CG GLU 131 -0.209 -39.703 22.346 1.00 13.24 ATOM 2170 HG1 GLU 131 0.134 -39.084 21.527 1.00 37.35 ATOM 2171 HG2 GLU 131 -0.884 -40.457 21.964 1.00 65.10 ATOM 2172 CD GLU 131 0.992 -40.392 22.976 1.00 11.43 ATOM 2173 OE1 GLU 131 0.917 -41.606 23.232 1.00 75.34 ATOM 2174 OE2 GLU 131 2.003 -39.715 23.245 1.00 3.03 ATOM 2175 C GLU 131 -1.776 -37.236 21.558 1.00 21.31 ATOM 2176 O GLU 131 -1.327 -36.100 21.699 1.00 22.32 ATOM 2177 N LEU 132 -1.928 -37.810 20.360 1.00 10.45 ATOM 2178 HN LEU 132 -2.213 -38.747 20.317 1.00 37.35 ATOM 2179 CA LEU 132 -1.670 -37.088 19.103 1.00 2.22 ATOM 2180 HA LEU 132 -0.613 -36.868 19.062 1.00 21.11 ATOM 2181 CB LEU 132 -2.039 -37.977 17.901 1.00 61.32 ATOM 2182 HB1 LEU 132 -3.082 -38.243 17.988 1.00 37.35 ATOM 2183 HB2 LEU 132 -1.451 -38.884 17.960 1.00 54.31 ATOM 2184 CG LEU 132 -1.819 -37.349 16.511 1.00 14.13 ATOM 2185 HG LEU 132 -2.399 -36.439 16.443 1.00 35.31 ATOM 2186 CD1 LEU 132 -0.353 -36.978 16.301 1.00 61.32 ATOM 2187 HD11 LEU 132 -0.053 -36.258 17.048 1.00 4.01 ATOM 2188 HD12 LEU 132 -0.228 -36.547 15.318 1.00 32.03 ATOM 2189 HD13 LEU 132 0.263 -37.862 16.386 1.00 22.54 ATOM 2190 CD2 LEU 132 -2.301 -38.294 15.410 1.00 32.32 ATOM 2191 HD21 LEU 132 -3.355 -38.492 15.541 1.00 41.02 ATOM 2192 HD22 LEU 132 -1.752 -39.224 15.462 1.00 2.21 ATOM 2193 HD23 LEU 132 -2.140 -37.835 14.445 1.00 1.43 ATOM 2194 C LEU 132 -2.449 -35.765 19.041 1.00 22.11 ATOM 2195 O LEU 132 -1.872 -34.701 18.802 1.00 2.04 ATOM 2196 N GLN 133 -3.760 -35.837 19.264 1.00 2.41 ATOM 2197 HN GLN 133 -4.169 -36.716 19.426 1.00 37.35 ATOM 2198 CA GLN 133 -4.608 -34.641 19.265 1.00 44.13 ATOM 2199 HA GLN 133 -4.517 -34.175 18.293 1.00 75.34 ATOM 2200 CB GLN 133 -6.078 -35.028 19.490 1.00 43.41 ATOM 2201 HB1 GLN 133 -6.162 -35.528 20.446 1.00 37.35 ATOM 2202 HB2 GLN 133 -6.379 -35.715 18.712 1.00 32.41 ATOM 2203 CG GLN 133 -7.044 -33.843 19.482 1.00 24.23 ATOM 2204 HG1 GLN 133 -6.792 -33.185 20.303 1.00 37.35 ATOM 2205 HG2 GLN 133 -8.050 -34.213 19.618 1.00 15.22 ATOM 2206 CD GLN 133 -6.994 -33.045 18.187 1.00 10.51 ATOM 2207 OE1 GLN 133 -7.699 -33.342 17.231 1.00 40.14 ATOM 2208 NE2 GLN 133 -6.160 -32.024 18.148 1.00 32.12 ATOM 2209 HE21 GLN 133 -5.624 -31.832 18.942 1.00 2.22 ATOM 2210 HE22 GLN 133 -6.114 -31.502 17.320 1.00 45.30 ATOM 2211 C GLN 133 -4.152 -33.634 20.336 1.00 33.21 ATOM 2212 O GLN 133 -4.124 -32.426 20.092 1.00 2.34 ATOM 2213 N ALA 134 -3.787 -34.140 21.513 1.00 13.33 ATOM 2214 HN ALA 134 -3.839 -35.110 21.650 1.00 37.35 ATOM 2215 CA ALA 134 -3.310 -33.288 22.609 1.00 23.42 ATOM 2216 HA ALA 134 -4.061 -32.529 22.788 1.00 42.11 ATOM 2217 CB ALA 134 -3.159 -34.108 23.883 1.00 22.31 ATOM 2218 HB1 ALA 134 -2.843 -33.464 24.692 1.00 35.00 ATOM 2219 HB2 ALA 134 -2.422 -34.884 23.731 1.00 44.23 ATOM 2220 HB3 ALA 134 -4.108 -34.559 24.136 1.00 4.12 ATOM 2221 C ALA 134 -1.983 -32.597 22.255 1.00 72.12 ATOM 2222 O ALA 134 -1.787 -31.418 22.553 1.00 24.42 ATOM 2223 N ALA 135 -1.081 -33.339 21.615 1.00 43.33 ATOM 2224 HN ALA 135 -1.288 -34.279 21.433 1.00 37.35 ATOM 2225 CA ALA 135 0.212 -32.800 21.173 1.00 3.00 ATOM 2226 HA ALA 135 0.755 -32.461 22.044 1.00 52.04 ATOM 2227 CB ALA 135 1.028 -33.900 20.497 1.00 12.44 ATOM 2228 HB1 ALA 135 2.019 -33.531 20.275 1.00 54.23 ATOM 2229 HB2 ALA 135 0.541 -34.199 19.575 1.00 0.55 ATOM 2230 HB3 ALA 135 1.101 -34.753 21.157 1.00 2.21 ATOM 2231 C ALA 135 0.022 -31.624 20.209 1.00 52.34 ATOM 2232 O ALA 135 0.528 -30.521 20.429 1.00 40.41 ATOM 2233 N ILE 136 -0.730 -31.876 19.145 1.00 14.32 ATOM 2234 HN ILE 136 -1.112 -32.775 19.041 1.00 37.35 ATOM 2235 CA ILE 136 -1.012 -30.864 18.126 1.00 53.43 ATOM 2236 HA ILE 136 -0.069 -30.532 17.711 1.00 13.43 ATOM 2237 CB ILE 136 -1.860 -31.469 16.986 1.00 2.13 ATOM 2238 HB ILE 136 -2.823 -31.747 17.392 1.00 24.11 ATOM 2239 CG1 ILE 136 -1.169 -32.726 16.435 1.00 54.21 ATOM 2240 HG11 ILE 136 -0.847 -33.344 17.262 1.00 37.35 ATOM 2241 HG12 ILE 136 -0.305 -32.433 15.856 1.00 64.32 ATOM 2242 CG2 ILE 136 -2.093 -30.443 15.876 1.00 63.44 ATOM 2243 HG21 ILE 136 -2.626 -29.592 16.276 1.00 31.34 ATOM 2244 HG22 ILE 136 -2.676 -30.892 15.084 1.00 42.04 ATOM 2245 HG23 ILE 136 -1.142 -30.116 15.479 1.00 52.03 ATOM 2246 CD1 ILE 136 -2.052 -33.568 15.547 1.00 62.34 ATOM 2247 HD11 ILE 136 -2.346 -32.997 14.679 1.00 74.14 ATOM 2248 HD12 ILE 136 -2.932 -33.869 16.098 1.00 64.15 ATOM 2249 HD13 ILE 136 -1.507 -34.446 15.235 1.00 31.13 ATOM 2250 C ILE 136 -1.748 -29.659 18.723 1.00 1.51 ATOM 2251 O ILE 136 -1.444 -28.510 18.402 1.00 52.22 ATOM 2252 N ASP 137 -2.713 -29.929 19.601 1.00 14.52 ATOM 2253 HN ASP 137 -2.924 -30.866 19.806 1.00 37.35 ATOM 2254 CA ASP 137 -3.466 -28.867 20.269 1.00 0.10 ATOM 2255 HA ASP 137 -3.920 -28.251 19.503 1.00 41.15 ATOM 2256 CB ASP 137 -4.568 -29.478 21.141 1.00 24.41 ATOM 2257 HB1 ASP 137 -4.116 -29.977 21.987 1.00 37.35 ATOM 2258 HB2 ASP 137 -5.118 -30.204 20.557 1.00 4.02 ATOM 2259 CG ASP 137 -5.546 -28.439 21.655 1.00 40.35 ATOM 2260 OD1 ASP 137 -6.326 -27.906 20.837 1.00 54.43 ATOM 2261 OD2 ASP 137 -5.557 -28.169 22.871 1.00 13.53 ATOM 2262 C ASP 137 -2.526 -27.990 21.115 1.00 43.52 ATOM 2263 O ASP 137 -2.611 -26.761 21.087 1.00 22.14 ATOM 2264 N SER 138 -1.617 -28.638 21.844 1.00 70.32 ATOM 2265 HN SER 138 -1.645 -29.618 21.874 1.00 37.35 ATOM 2266 CA SER 138 -0.583 -27.931 22.617 1.00 4.42 ATOM 2267 HA SER 138 -1.085 -27.302 23.340 1.00 2.54 ATOM 2268 CB SER 138 0.315 -28.931 23.364 1.00 1.54 ATOM 2269 HB1 SER 138 1.084 -28.394 23.902 1.00 37.35 ATOM 2270 HB2 SER 138 0.778 -29.599 22.651 1.00 21.43 ATOM 2271 OG SER 138 -0.432 -29.706 24.289 1.00 61.55 ATOM 2272 HG SER 138 -0.669 -30.550 23.882 1.00 72.02 ATOM 2273 C SER 138 0.276 -27.045 21.705 1.00 15.34 ATOM 2274 O SER 138 0.548 -25.890 22.025 1.00 12.33 ATOM 2275 N ASN 139 0.683 -27.592 20.556 1.00 3.40 ATOM 2276 HN ASN 139 0.446 -28.526 20.364 1.00 37.35 ATOM 2277 CA ASN 139 1.466 -26.831 19.571 1.00 44.04 ATOM 2278 HA ASN 139 2.371 -26.492 20.060 1.00 70.53 ATOM 2279 CB ASN 139 1.850 -27.714 18.375 1.00 52.52 ATOM 2280 HB1 ASN 139 2.222 -27.085 17.577 1.00 37.35 ATOM 2281 HB2 ASN 139 0.973 -28.240 18.028 1.00 31.23 ATOM 2282 CG ASN 139 2.919 -28.744 18.708 1.00 21.33 ATOM 2283 OD1 ASN 139 3.736 -29.093 17.866 1.00 32.53 ATOM 2284 ND2 ASN 139 2.924 -29.244 19.929 1.00 50.45 ATOM 2285 HD21 ASN 139 2.248 -28.941 20.562 1.00 32.03 ATOM 2286 HD22 ASN 139 3.614 -29.903 20.152 1.00 61.32 ATOM 2287 C ASN 139 0.687 -25.604 19.074 1.00 71.22 ATOM 2288 O ASN 139 1.233 -24.502 18.987 1.00 12.33 ATOM 2289 N ARG 140 -0.592 -25.805 18.756 1.00 53.22 ATOM 2290 HN ARG 140 -0.957 -26.713 18.818 1.00 37.35 ATOM 2291 CA ARG 140 -1.467 -24.712 18.310 1.00 64.33 ATOM 2292 HA ARG 140 -0.984 -24.224 17.476 1.00 33.34 ATOM 2293 CB ARG 140 -2.825 -25.261 17.846 1.00 74.11 ATOM 2294 HB1 ARG 140 -3.451 -24.431 17.545 1.00 37.35 ATOM 2295 HB2 ARG 140 -3.296 -25.767 18.677 1.00 54.14 ATOM 2296 CG ARG 140 -2.740 -26.241 16.681 1.00 1.33 ATOM 2297 HG1 ARG 140 -2.171 -27.105 16.993 1.00 37.35 ATOM 2298 HG2 ARG 140 -2.239 -25.760 15.854 1.00 44.22 ATOM 2299 CD ARG 140 -4.123 -26.698 16.222 1.00 44.21 ATOM 2300 HD1 ARG 140 -4.002 -27.433 15.440 1.00 37.35 ATOM 2301 HD2 ARG 140 -4.658 -25.844 15.829 1.00 24.31 ATOM 2302 NE ARG 140 -4.908 -27.288 17.310 1.00 32.03 ATOM 2303 HE ARG 140 -4.548 -27.225 18.213 1.00 11.34 ATOM 2304 CZ ARG 140 -6.061 -27.882 17.145 1.00 74.24 ATOM 2305 NH1 ARG 140 -6.593 -27.984 15.970 1.00 61.44 ATOM 2306 HH11 ARG 140 -6.126 -27.607 15.174 1.00 30.04 ATOM 2307 HH12 ARG 140 -7.475 -28.439 15.864 1.00 15.33 ATOM 2308 NH2 ARG 140 -6.691 -28.367 18.163 1.00 5.34 ATOM 2309 HH21 ARG 140 -6.304 -28.285 19.080 1.00 43.33 ATOM 2310 HH22 ARG 140 -7.569 -28.827 18.029 1.00 11.12 ATOM 2311 C ARG 140 -1.686 -23.679 19.426 1.00 33.30 ATOM 2312 O ARG 140 -1.926 -22.501 19.156 1.00 54.30 ATOM 2313 N ARG 141 -1.596 -24.127 20.677 1.00 1.04 ATOM 2314 HN ARG 141 -1.386 -25.073 20.831 1.00 37.35 ATOM 2315 CA ARG 141 -1.805 -23.250 21.834 1.00 44.33 ATOM 2316 HA ARG 141 -2.652 -22.611 21.616 1.00 50.45 ATOM 2317 CB ARG 141 -2.128 -24.096 23.078 1.00 45.42 ATOM 2318 HB1 ARG 141 -1.226 -24.596 23.405 1.00 37.35 ATOM 2319 HB2 ARG 141 -2.864 -24.842 22.812 1.00 14.21 ATOM 2320 CG ARG 141 -2.674 -23.282 24.246 1.00 63.53 ATOM 2321 HG1 ARG 141 -3.597 -22.810 23.939 1.00 37.35 ATOM 2322 HG2 ARG 141 -1.954 -22.520 24.507 1.00 14.41 ATOM 2323 CD ARG 141 -2.943 -24.140 25.475 1.00 2.45 ATOM 2324 HD1 ARG 141 -2.003 -24.510 25.858 1.00 37.35 ATOM 2325 HD2 ARG 141 -3.571 -24.973 25.190 1.00 11.14 ATOM 2326 NE ARG 141 -3.620 -23.374 26.519 1.00 42.23 ATOM 2327 HE ARG 141 -4.531 -23.073 26.330 1.00 2.34 ATOM 2328 CZ ARG 141 -3.093 -23.056 27.669 1.00 65.04 ATOM 2329 NH1 ARG 141 -1.899 -23.446 27.985 1.00 3.03 ATOM 2330 HH11 ARG 141 -1.370 -23.996 27.350 1.00 51.22 ATOM 2331 HH12 ARG 141 -1.513 -23.191 28.870 1.00 73.51 ATOM 2332 NH2 ARG 141 -3.766 -22.342 28.509 1.00 53.01 ATOM 2333 HH21 ARG 141 -4.687 -22.032 28.278 1.00 13.11 ATOM 2334 HH22 ARG 141 -3.363 -22.106 29.392 1.00 13.41 ATOM 2335 C ARG 141 -0.572 -22.362 22.100 1.00 14.13 ATOM 2336 O ARG 141 -0.569 -21.543 23.025 1.00 55.22 ATOM 2337 N GLU 142 0.473 -22.533 21.291 1.00 22.41 ATOM 2338 HN GLU 142 0.416 -23.209 20.584 1.00 37.35 ATOM 2339 CA GLU 142 1.709 -21.749 21.423 1.00 31.30 ATOM 2340 HA GLU 142 1.601 -21.083 22.269 1.00 54.24 ATOM 2341 CB GLU 142 2.897 -22.692 21.675 1.00 23.23 ATOM 2342 HB1 GLU 142 3.786 -22.096 21.833 1.00 37.35 ATOM 2343 HB2 GLU 142 3.041 -23.311 20.801 1.00 1.10 ATOM 2344 CG GLU 142 2.718 -23.608 22.880 1.00 64.34 ATOM 2345 HG1 GLU 142 1.803 -24.172 22.755 1.00 37.35 ATOM 2346 HG2 GLU 142 2.642 -23.000 23.771 1.00 61.15 ATOM 2347 CD GLU 142 3.871 -24.585 23.050 1.00 2.23 ATOM 2348 OE1 GLU 142 4.704 -24.383 23.960 1.00 64.00 ATOM 2349 OE2 GLU 142 3.961 -25.548 22.261 1.00 4.05 ATOM 2350 C GLU 142 1.972 -20.912 20.156 1.00 2.04 ATOM 2351 O GLU 142 1.308 -21.086 19.133 1.00 31.43 ATOM 2352 N GLY 143 2.945 -20.003 20.228 1.00 12.24 ATOM 2353 HN GLY 143 3.403 -19.856 21.085 1.00 37.35 ATOM 2354 CA GLY 143 3.343 -19.232 19.049 1.00 52.33 ATOM 2355 HA1 GLY 143 3.149 -19.825 18.164 1.00 37.35 ATOM 2356 HA2 GLY 143 4.405 -19.047 19.106 1.00 42.35 ATOM 2357 C GLY 143 2.628 -17.888 18.903 1.00 62.21 ATOM 2358 O GLY 143 1.715 -17.742 18.087 1.00 75.22 ATOM 2359 N ARG 144 3.037 -16.909 19.705 1.00 70.24 ATOM 2360 HN ARG 144 3.672 -17.124 20.421 1.00 37.35 ATOM 2361 CA ARG 144 2.566 -15.522 19.565 1.00 24.51 ATOM 2362 HA ARG 144 1.821 -15.503 18.780 1.00 72.21 ATOM 2363 CB ARG 144 1.923 -15.017 20.873 1.00 50.33 ATOM 2364 HB1 ARG 144 2.013 -13.940 20.913 1.00 37.35 ATOM 2365 HB2 ARG 144 2.460 -15.439 21.710 1.00 1.54 ATOM 2366 CG ARG 144 0.442 -15.372 21.033 1.00 33.43 ATOM 2367 HG1 ARG 144 -0.089 -15.045 20.148 1.00 37.35 ATOM 2368 HG2 ARG 144 0.050 -14.849 21.894 1.00 2.04 ATOM 2369 CD ARG 144 0.209 -16.866 21.224 1.00 63.24 ATOM 2370 HD1 ARG 144 0.628 -17.165 22.174 1.00 37.35 ATOM 2371 HD2 ARG 144 0.708 -17.401 20.428 1.00 54.25 ATOM 2372 NE ARG 144 -1.213 -17.204 21.201 1.00 2.22 ATOM 2373 HE ARG 144 -1.808 -16.608 20.706 1.00 33.24 ATOM 2374 CZ ARG 144 -1.729 -18.261 21.763 1.00 20.33 ATOM 2375 NH1 ARG 144 -0.995 -19.053 22.475 1.00 64.20 ATOM 2376 HH11 ARG 144 -0.026 -18.857 22.602 1.00 53.51 ATOM 2377 HH12 ARG 144 -1.398 -19.863 22.894 1.00 14.12 ATOM 2378 NH2 ARG 144 -2.991 -18.511 21.629 1.00 34.43 ATOM 2379 HH21 ARG 144 -3.567 -17.894 21.097 1.00 1.11 ATOM 2380 HH22 ARG 144 -3.386 -19.324 22.055 1.00 14.40 ATOM 2381 C ARG 144 3.720 -14.592 19.157 1.00 44.21 ATOM 2382 O ARG 144 4.898 -14.921 19.338 1.00 64.24 ATOM 2383 N ARG 145 3.377 -13.429 18.607 1.00 13.51 ATOM 2384 HN ARG 145 2.424 -13.223 18.500 1.00 37.35 ATOM 2385 HA ARG 145 5.286 -12.999 17.929 1.00 51.42 ATOM 2386 CB ARG 145 3.906 -11.742 16.872 1.00 62.41 ATOM 2387 HB1 ARG 145 4.062 -12.415 16.039 1.00 37.35 ATOM 2388 HB2 ARG 145 4.508 -10.858 16.715 1.00 73.11 ATOM 2389 CG ARG 145 2.427 -11.325 16.877 1.00 73.01 ATOM 2390 HG1 ARG 145 1.958 -11.709 17.771 1.00 37.35 ATOM 2391 HG2 ARG 145 1.941 -11.754 16.013 1.00 52.42 ATOM 2392 CD ARG 145 2.232 -9.812 16.839 1.00 63.35 ATOM 2393 HD1 ARG 145 1.177 -9.601 16.727 1.00 37.35 ATOM 2394 HD2 ARG 145 2.767 -9.415 15.988 1.00 11.33 ATOM 2395 NE ARG 145 2.723 -9.160 18.048 1.00 10.53 ATOM 2396 HE ARG 145 3.693 -9.078 18.156 1.00 12.30 ATOM 2397 CZ ARG 145 1.955 -8.670 18.984 1.00 4.10 ATOM 2398 NH1 ARG 145 0.667 -8.781 18.911 1.00 4.51 ATOM 2399 HH11 ARG 145 0.246 -9.240 18.135 1.00 53.35 ATOM 2400 HH12 ARG 145 0.096 -8.410 19.644 1.00 52.03 ATOM 2401 NH2 ARG 145 2.479 -8.081 20.004 1.00 33.12 ATOM 2402 HH21 ARG 145 3.469 -7.996 20.076 1.00 74.12 ATOM 2403 HH22 ARG 145 1.889 -7.709 20.718 1.00 73.02 ATOM 2404 CA ARG 145 4.387 -12.448 18.163 1.00 52.54 ATOM 2405 C ARG 145 4.740 -11.423 19.269 1.00 32.32 ATOM 2406 OT1 ARG 145 4.776 -11.811 20.460 1.00 37.35 ATOM 2407 OT2 ARG 145 5.032 -10.251 18.945 1.00 37.35 ATOM 2408 OH2 TIP3 1 -5.999 -45.730 -4.464 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -5.382 -45.094 -4.890 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -6.079 -46.457 -5.111 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -2.993 -49.540 -5.052 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -2.393 -48.871 -5.436 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -2.454 -50.349 -5.015 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -5.155 -53.315 -0.650 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -4.847 -52.577 -1.217 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.338 -54.043 -1.288 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -2.177 -58.132 -2.203 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -1.994 -57.431 -1.540 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -1.784 -57.780 -3.034 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -7.867 -52.349 -1.538 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -6.926 -52.516 -1.373 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -8.326 -52.901 -0.875 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -8.504 -55.700 -1.571 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -9.204 -55.649 -2.230 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -8.756 -55.030 -0.901 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.178 -62.321 0.401 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.558 -61.623 0.709 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.983 -61.837 0.171 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -3.244 -52.836 -6.346 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -2.982 -52.929 -7.264 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -2.497 -52.354 -5.931 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -6.580 -57.213 -0.211 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -7.192 -56.735 -0.813 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -7.177 -57.731 0.379 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -5.774 -55.221 -2.414 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -6.724 -55.361 -2.539 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -5.494 -54.712 -3.214 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -6.427 -46.756 -8.329 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -5.890 -45.947 -8.213 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -6.433 -47.171 -7.443 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.803 -52.794 2.471 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.939 -53.746 2.562 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -11.054 -52.434 3.350 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -4.460 -55.700 0.588 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -5.195 -56.156 0.116 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -4.575 -54.753 0.346 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -4.857 -53.423 -4.206 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -4.339 -53.257 -5.026 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -4.871 -52.558 -3.754 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.056 -58.387 1.753 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -7.977 -59.255 2.201 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -8.557 -57.847 2.380 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -7.829 -60.361 3.653 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -7.631 -61.329 3.685 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -8.462 -60.220 4.388 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -4.393 -58.894 -0.609 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -5.191 -58.323 -0.672 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.839 -58.612 -1.368 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -0.885 -48.079 -6.019 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -0.545 -47.737 -6.849 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -0.164 -48.645 -5.678 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -0.684 -56.934 -4.238 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 0.095 -56.412 -3.981 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -0.325 -57.608 -4.852 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -1.895 -56.211 -0.262 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -2.846 -56.105 -0.052 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -1.503 -55.343 -0.025 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -2.387 -62.664 -1.717 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -3.071 -62.664 -1.018 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -2.315 -63.586 -1.980 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -8.630 -46.221 -9.772 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -8.331 -45.836 -10.622 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -7.795 -46.536 -9.343 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.080 -49.925 -1.400 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -9.467 -50.176 -0.541 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -8.613 -50.741 -1.697 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -6.916 -47.914 -5.811 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -7.246 -47.864 -4.889 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -7.520 -48.542 -6.239 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -8.184 -44.364 -3.602 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -8.729 -44.867 -2.957 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -7.498 -45.012 -3.893 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 2.370 -45.901 -12.426 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 2.868 -46.569 -12.944 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 2.470 -45.072 -12.946 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -7.622 -57.860 7.899 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.145 -57.144 7.481 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -7.286 -57.459 8.713 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -3.962 -54.378 8.475 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.122 -55.349 8.582 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -3.801 -54.061 9.389 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -6.877 -54.580 8.483 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -7.075 -54.246 9.388 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -5.909 -54.570 8.433 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.945 -51.541 12.870 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.670 -52.275 12.291 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.111 -51.234 13.278 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.163 -59.207 5.892 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -8.646 -59.094 6.710 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -10.010 -58.737 6.079 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -8.161 -57.060 4.390 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -8.727 -57.667 4.906 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -7.267 -57.448 4.470 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -1.888 -56.027 11.562 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -2.781 -55.819 11.916 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -1.308 -55.349 11.970 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -3.455 -57.971 5.337 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -3.502 -58.272 6.261 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -4.380 -58.047 5.018 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -4.588 -51.928 7.276 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -4.095 -51.620 6.499 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -4.208 -52.809 7.473 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.886 -58.636 4.332 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -6.544 -59.335 4.099 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -5.439 -58.436 3.474 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -14.945 -53.385 5.102 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -14.239 -53.330 5.778 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -15.061 -54.328 4.958 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -4.547 -58.035 2.075 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -4.545 -58.629 1.303 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -4.459 -57.143 1.685 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -11.022 -57.359 6.569 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -10.356 -56.699 6.844 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -11.876 -56.890 6.671 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -3.828 -53.482 11.164 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -2.949 -53.318 11.593 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -4.173 -54.284 11.624 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.051 -62.961 3.805 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -6.272 -63.304 3.310 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -7.361 -63.718 4.306 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -8.936 -55.604 7.051 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -8.869 -55.130 6.213 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -8.294 -55.140 7.642 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -6.679 -53.477 15.643 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.131 -52.851 15.043 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -5.807 -53.054 15.818 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 0.799 -59.953 2.195 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 1.527 -59.309 2.013 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 0.051 -59.397 2.470 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -1.595 -53.138 15.264 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -1.680 -53.170 14.282 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -1.017 -53.883 15.471 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -7.197 -53.440 10.984 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -7.473 -53.233 11.888 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -6.755 -52.626 10.675 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -13.015 -52.893 7.012 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -13.251 -52.145 7.600 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -12.281 -52.547 6.462 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -13.132 -55.620 7.061 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -12.979 -54.650 7.052 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -13.651 -55.769 7.854 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -14.823 -50.720 4.504 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -15.467 -50.616 3.799 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -14.859 -51.682 4.721 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -5.430 -51.648 9.818 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -5.253 -51.722 8.852 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -4.810 -52.288 10.224 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -2.468 -50.643 13.523 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -1.915 -50.616 14.314 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -2.088 -51.379 12.988 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -11.158 -51.908 5.080 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -10.188 -51.758 5.019 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -11.520 -51.039 5.356 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -12.708 -49.886 6.076 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -13.398 -50.014 5.388 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -13.167 -50.102 6.915 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -13.965 -50.594 8.414 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -13.727 -50.119 9.230 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -14.846 -50.257 8.194 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -4.514 -56.974 8.872 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -4.679 -57.723 8.265 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -4.224 -57.403 9.705 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -9.111 -53.798 0.406 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -9.773 -53.272 0.888 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -8.636 -54.292 1.117 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -4.701 -49.212 19.099 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -4.089 -48.979 19.835 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -5.088 -50.053 19.371 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -7.982 -55.330 2.310 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -8.147 -55.791 3.161 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -7.341 -55.893 1.858 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.875 -55.894 14.765 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -6.179 -55.004 15.066 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -6.240 -56.497 15.416 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -9.832 -50.427 1.302 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -8.897 -50.296 1.562 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -10.097 -51.252 1.765 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -1.522 -50.906 17.027 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -1.483 -51.795 16.623 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -0.667 -50.487 16.768 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -1.670 -55.433 6.924 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -2.383 -54.970 7.398 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -1.391 -56.143 7.549 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -1.780 -58.970 3.303 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -2.558 -58.835 3.877 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -2.143 -59.420 2.509 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -5.285 -59.038 7.230 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -6.179 -58.759 7.531 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -5.444 -59.439 6.365 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -4.442 -55.817 12.460 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -4.633 -56.704 12.109 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -4.970 -55.772 13.296 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -4.925 -64.012 2.481 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -4.205 -64.633 2.612 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -4.634 -63.463 1.723 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.534 -58.199 11.113 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.016 -58.941 10.737 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -2.852 -57.569 11.417 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.060 -48.385 13.970 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -4.096 -48.708 14.897 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -3.399 -48.964 13.548 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -9.501 -46.717 8.707 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -9.314 -47.113 7.835 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -10.317 -47.172 8.998 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -7.482 -51.643 13.736 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -7.785 -50.735 13.805 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -6.545 -51.563 13.435 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -11.646 -48.364 8.247 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -11.879 -48.767 7.391 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -12.481 -48.354 8.742 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.224 -52.370 15.938 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.154 -51.401 16.028 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -3.317 -52.657 15.728 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 0.779 -51.607 21.362 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 0.391 -50.974 20.712 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 1.049 -52.369 20.817 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -3.868 -49.618 16.446 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.957 -49.923 16.653 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -4.237 -49.368 17.317 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -4.781 -46.118 21.205 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -4.740 -45.678 22.080 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -4.296 -46.953 21.334 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 1.353 -46.741 22.908 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 0.944 -45.917 22.576 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 2.245 -46.744 22.505 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -0.844 -50.046 23.012 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -0.393 -50.717 22.463 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -0.171 -49.797 23.683 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -3.178 -48.604 21.341 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -2.797 -49.467 21.571 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -2.638 -47.965 21.855 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.198 -38.485 -20.964 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -2.330 -38.977 -21.778 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -3.046 -38.588 -20.479 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -2.415 -34.170 -18.322 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -1.998 -34.889 -18.851 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -3.260 -33.994 -18.788 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -4.285 -30.350 -18.245 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -4.009 -29.974 -17.389 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -3.783 -29.833 -18.904 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -4.478 -38.652 -19.399 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.924 -37.844 -19.067 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.163 -39.101 -18.584 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -1.345 -36.421 -19.366 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -1.526 -37.141 -20.014 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -0.399 -36.202 -19.507 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.574 -34.436 -22.191 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -5.329 -34.489 -21.244 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.418 -33.504 -22.423 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.939 -34.347 -19.480 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -5.383 -33.607 -19.010 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -5.255 -35.151 -19.011 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -7.444 -36.027 -23.333 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -7.765 -35.374 -23.959 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -6.700 -35.571 -22.870 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -9.552 -38.220 -19.950 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -9.761 -39.146 -19.793 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -9.067 -38.224 -20.800 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -6.649 -39.968 -20.555 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.862 -39.483 -20.233 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -7.090 -39.337 -21.159 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -8.162 -38.442 -22.335 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -8.292 -38.913 -23.164 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -7.908 -37.527 -22.616 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -3.043 -30.783 -21.646 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -3.947 -31.033 -21.934 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -2.583 -31.622 -21.564 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -5.532 -31.635 -22.487 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -6.212 -31.783 -21.784 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -5.987 -31.103 -23.146 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -3.697 -39.688 -16.925 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.668 -40.665 -16.972 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -3.227 -39.477 -16.087 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -4.117 -42.419 -16.942 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -4.960 -42.323 -17.407 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -4.335 -42.975 -16.163 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -7.360 -32.216 -20.566 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -8.106 -32.798 -20.359 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -6.918 -32.081 -19.704 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -7.582 -40.632 -10.915 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -8.025 -40.775 -10.052 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -6.675 -41.007 -10.786 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -19.153 -36.629 -11.018 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -19.664 -37.394 -10.745 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -18.928 -36.173 -10.173 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -6.989 -32.677 -9.869 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -7.787 -33.249 -9.886 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -7.281 -31.869 -9.397 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -7.844 -43.571 -9.411 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -7.622 -43.714 -10.352 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -8.278 -44.402 -9.145 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -5.160 -41.811 -10.898 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -4.786 -41.622 -11.779 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -4.467 -42.361 -10.458 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -10.909 -42.080 -12.843 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -11.052 -41.496 -12.064 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -11.475 -42.840 -12.676 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -12.982 -38.970 -9.439 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -13.795 -39.076 -9.940 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -12.344 -39.569 -9.882 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -5.277 -30.741 -7.150 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -6.148 -30.591 -7.576 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -4.965 -31.576 -7.536 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.169 -42.257 -13.019 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.004 -41.664 -12.251 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -9.142 -42.205 -13.157 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.639 -41.863 -18.871 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -7.893 -42.514 -19.528 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -7.285 -41.112 -19.401 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -18.446 -35.141 -8.857 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -17.777 -34.571 -9.300 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -18.714 -34.634 -8.088 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -11.696 -34.766 -9.513 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -10.910 -34.479 -9.005 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -11.958 -35.607 -9.085 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -12.001 -37.018 -7.821 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -12.399 -37.731 -8.377 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -11.409 -37.499 -7.202 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -6.200 -36.594 -6.109 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -5.954 -37.158 -6.852 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -5.860 -37.074 -5.320 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -6.413 -40.546 -14.324 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -7.060 -41.174 -13.950 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -5.550 -40.875 -14.003 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 1.396 -44.572 -10.221 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 1.670 -44.994 -11.062 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 0.420 -44.455 -10.317 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -6.733 -34.307 -1.745 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -7.277 -34.909 -2.312 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -7.269 -34.183 -0.957 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -12.134 -32.980 -14.801 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -12.198 -32.010 -14.730 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -11.774 -33.130 -15.698 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -7.722 -31.809 -15.880 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -8.471 -31.249 -16.194 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -8.098 -32.299 -15.120 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -6.734 -31.963 -12.516 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -7.489 -32.416 -12.956 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -6.754 -32.303 -11.596 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.334 -42.360 -3.965 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -6.969 -43.084 -3.788 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -5.633 -42.786 -4.505 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -6.149 -38.589 -16.161 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -6.393 -39.229 -15.455 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -5.300 -38.929 -16.502 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -7.697 -44.743 -11.959 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -7.904 -43.911 -12.442 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -7.228 -45.280 -12.605 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.034 -39.808 -4.428 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -6.237 -39.257 -4.323 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -6.721 -40.726 -4.229 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -9.309 -38.816 -11.970 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -8.543 -39.360 -11.681 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -9.116 -38.605 -12.890 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -9.120 -41.250 -8.723 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.677 -42.128 -8.765 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.160 -41.047 -7.760 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -10.306 -47.764 -8.202 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -9.672 -47.208 -8.708 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -11.119 -47.714 -8.709 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -10.985 -40.460 -10.612 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -10.391 -40.769 -9.890 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -10.484 -39.723 -11.036 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -11.112 -40.624 -15.212 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -10.638 -41.201 -15.856 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -11.131 -41.150 -14.392 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -7.910 -44.050 -15.516 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -7.387 -43.490 -14.927 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -7.330 -44.813 -15.700 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -8.324 -35.894 -3.231 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -8.563 -35.640 -4.144 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -8.682 -36.803 -3.137 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -4.088 -41.718 -13.459 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -3.185 -41.912 -13.122 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -4.349 -42.539 -13.925 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -12.620 -34.879 -6.225 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -12.872 -35.256 -5.379 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -12.521 -35.658 -6.816 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -10.118 -40.918 -2.561 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -10.270 -41.533 -3.304 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -10.117 -41.495 -1.772 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -1.470 -42.526 -12.750 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -0.996 -41.665 -12.733 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -1.357 -42.886 -11.835 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -16.776 -33.562 -10.333 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -17.288 -33.878 -11.115 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -16.061 -33.049 -10.714 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -8.844 -35.820 -5.966 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -7.907 -36.065 -6.112 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -9.337 -36.654 -6.118 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -12.844 -32.291 -9.499 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.612 -32.412 -8.928 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -12.460 -33.196 -9.577 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -4.991 -34.189 -5.275 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -5.457 -34.999 -5.564 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -4.867 -33.684 -6.095 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -9.626 -35.362 -15.250 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -9.949 -36.236 -14.971 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -9.577 -35.429 -16.220 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -9.956 -38.214 -15.624 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -9.102 -38.640 -15.774 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -10.574 -38.969 -15.464 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -10.160 -42.835 -4.609 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -9.380 -43.357 -4.300 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -10.862 -43.490 -4.691 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -4.798 -44.051 -14.810 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -5.212 -44.827 -15.248 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -4.294 -44.440 -14.059 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -8.880 -33.200 -13.724 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -9.634 -33.236 -13.105 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -9.035 -33.965 -14.328 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -9.166 -40.735 -6.033 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -8.390 -40.447 -5.508 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -9.524 -41.504 -5.532 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -11.188 -33.781 -12.321 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -11.768 -34.329 -11.766 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -11.635 -33.764 -13.202 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -2.092 -32.711 -7.746 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -1.454 -33.157 -8.342 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -2.969 -32.956 -8.105 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -8.823 -33.993 -18.523 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.905 -33.927 -18.228 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -9.054 -34.941 -18.383 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 1.379 -34.808 -1.678 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 2.170 -34.662 -2.225 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 1.178 -35.756 -1.806 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -9.226 -38.496 -3.441 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -9.674 -39.222 -2.950 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -8.398 -38.910 -3.771 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -9.617 -36.518 -17.828 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -9.877 -37.145 -17.121 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -9.590 -37.076 -18.643 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -9.457 -42.140 -16.753 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -8.834 -41.933 -17.477 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.036 -42.890 -16.285 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -3.929 -38.494 1.415 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -4.536 -39.152 1.017 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -3.504 -38.983 2.150 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -5.551 -36.540 -17.916 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -6.093 -37.100 -17.319 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -4.673 -36.507 -17.478 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -10.279 -38.191 -5.971 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -10.138 -38.149 -5.001 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -10.028 -39.109 -6.204 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -9.517 -49.129 -5.961 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -9.806 -48.560 -6.712 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -9.879 -49.994 -6.169 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -9.870 -45.370 -1.663 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -10.745 -45.375 -1.214 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -9.410 -46.149 -1.284 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -8.487 -48.172 -3.552 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -8.745 -48.772 -2.827 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -8.996 -48.497 -4.323 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -9.138 -47.498 -0.113 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -8.956 -48.295 -0.652 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -10.043 -47.639 0.220 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -0.393 -43.900 -14.876 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 0.539 -44.030 -14.644 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -0.766 -43.419 -14.108 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -5.421 -48.401 -14.774 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -4.565 -47.997 -14.497 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -5.425 -49.261 -14.345 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 6.329 -42.373 -13.437 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 6.393 -41.720 -14.161 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 5.612 -42.027 -12.863 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -4.706 -32.955 -2.850 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.864 -33.159 -3.802 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -5.435 -33.434 -2.382 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -7.678 -30.401 -8.541 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -8.609 -30.612 -8.324 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -7.742 -29.758 -9.266 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -5.144 -31.106 -0.895 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -5.008 -31.795 -1.575 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -6.041 -30.796 -1.049 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -4.384 -28.458 -5.846 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -5.258 -28.077 -5.725 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -4.560 -29.327 -6.278 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -18.151 -34.562 -12.460 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -18.518 -35.348 -11.992 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -18.538 -34.610 -13.337 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.296 -33.828 -7.212 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -11.155 -34.050 -6.790 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -9.657 -34.436 -6.782 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -3.270 -44.694 -12.594 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -3.479 -44.536 -11.647 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -2.432 -44.211 -12.727 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -5.343 -44.159 -8.265 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -4.626 -43.943 -8.913 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -6.145 -43.766 -8.657 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -3.183 -47.003 -14.105 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -3.207 -46.315 -13.407 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -2.337 -46.860 -14.545 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -11.112 -32.877 -17.482 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -11.723 -33.107 -18.188 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -10.246 -33.233 -17.790 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.381 -42.864 8.442 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -5.208 -42.453 7.577 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -4.970 -42.247 9.080 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -8.312 -39.108 12.113 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -7.740 -39.866 12.367 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -7.773 -38.608 11.462 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -3.936 -40.789 9.550 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -2.975 -40.618 9.473 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -4.188 -40.382 10.413 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -8.365 -32.155 11.619 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.904 -31.918 12.409 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -7.884 -32.962 11.898 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -10.665 -40.187 13.192 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -10.566 -41.125 12.932 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -9.892 -39.744 12.787 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -14.021 -48.067 9.875 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -14.411 -47.973 8.976 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -14.508 -47.405 10.412 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -14.302 -43.500 9.068 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -13.712 -43.377 9.849 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -14.690 -42.630 8.928 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -6.127 -39.287 6.032 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -6.321 -39.425 5.080 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -5.596 -40.077 6.279 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -12.091 -45.946 10.165 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -12.288 -45.839 9.212 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -12.622 -46.718 10.428 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -5.335 -35.702 8.015 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -6.033 -35.994 7.401 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -4.873 -36.526 8.257 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -4.984 -38.445 8.417 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -5.429 -38.713 7.591 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -4.582 -39.275 8.750 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -6.548 -37.576 10.568 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -6.474 -36.614 10.535 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -6.025 -37.884 9.796 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -4.467 -33.637 10.987 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -3.999 -34.486 11.077 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -5.245 -33.733 11.549 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -14.122 -38.515 18.614 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -14.808 -39.184 18.713 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -13.372 -38.858 19.154 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -14.538 -36.781 20.820 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -13.609 -36.521 20.977 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -14.526 -37.180 19.934 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -6.794 -34.375 4.986 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -6.906 -35.240 5.439 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -7.442 -33.784 5.439 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -4.700 -33.049 8.236 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -4.969 -33.986 8.103 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -4.498 -32.999 9.194 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -15.042 -45.671 10.810 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -14.867 -45.078 11.548 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -14.968 -45.100 10.024 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -4.531 -49.353 10.932 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -4.551 -49.579 11.873 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -4.907 -50.146 10.490 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -5.377 -40.731 0.779 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -4.774 -41.496 0.660 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -6.156 -40.955 0.213 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -13.154 -45.601 7.581 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -13.508 -44.728 7.845 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -12.392 -45.390 6.994 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.041 -41.305 15.537 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -8.403 -42.203 15.432 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -8.624 -40.887 16.208 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -11.552 -48.289 1.070 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -12.445 -48.649 1.106 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -10.970 -49.075 1.186 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -6.640 -41.037 13.185 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -7.030 -41.037 14.091 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -6.612 -41.984 12.940 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -8.086 -44.590 7.816 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -8.645 -45.328 8.145 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -8.670 -43.826 7.829 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -10.921 -45.357 5.995 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -10.453 -46.189 6.193 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -10.420 -44.972 5.262 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -10.879 -43.429 1.977 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.279 -43.904 2.590 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -11.245 -42.714 2.510 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -12.688 -43.457 11.244 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -12.363 -44.342 10.981 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -11.970 -43.095 11.801 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -14.754 -47.787 7.306 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -15.062 -47.858 6.398 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -14.192 -46.976 7.308 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -10.299 -42.939 12.708 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -9.878 -43.257 13.526 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -9.940 -43.534 12.008 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -6.051 -40.311 3.445 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -5.983 -40.300 2.467 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -6.066 -41.264 3.672 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -7.339 -34.336 13.020 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -7.454 -35.305 13.163 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -7.656 -33.942 13.841 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -7.224 -36.790 6.291 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -6.796 -37.669 6.177 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.091 -36.997 6.656 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.858 -40.136 17.317 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -10.567 -39.880 16.695 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -10.155 -39.793 18.169 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -4.870 -39.516 11.748 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -5.389 -38.705 11.608 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -5.417 -40.047 12.368 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -8.839 -29.989 17.291 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -9.720 -29.685 17.592 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -8.992 -30.900 16.997 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -11.073 -35.144 15.505 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -11.535 -35.817 16.048 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -11.310 -35.368 14.601 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -3.265 -40.134 3.514 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -4.226 -40.194 3.675 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -2.867 -40.635 4.245 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -4.560 -41.492 6.177 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -3.582 -41.526 6.133 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -4.856 -42.046 5.424 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -5.781 -46.311 13.596 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -6.152 -46.141 14.487 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -5.112 -47.025 13.748 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -6.899 -43.879 12.851 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -6.412 -44.648 13.208 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -7.669 -43.789 13.445 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -11.727 -45.498 0.303 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -11.770 -46.355 0.761 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -11.577 -44.848 1.017 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -11.984 -34.887 18.693 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -12.129 -35.576 18.024 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -11.967 -35.374 19.539 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.494 -37.130 16.860 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -13.194 -37.464 17.461 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.236 -37.920 16.337 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -3.842 -35.931 0.497 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -4.599 -35.571 0.995 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -3.842 -36.893 0.722 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.404 -41.667 -0.750 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -7.410 -41.495 -1.701 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -8.284 -42.064 -0.574 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -9.840 -42.853 -0.549 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -10.278 -43.052 0.305 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -9.817 -43.716 -1.013 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -7.860 -36.964 13.766 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.123 -37.703 13.177 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -7.888 -37.347 14.649 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -9.664 -44.895 10.917 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.532 -45.294 10.697 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -9.035 -45.401 10.383 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -11.933 -39.516 15.504 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -11.412 -39.632 14.670 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -12.631 -40.175 15.435 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -8.734 -43.955 14.981 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -9.526 -44.137 15.548 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -8.016 -44.475 15.402 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -6.513 -45.435 16.103 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -6.642 -45.924 16.936 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -5.559 -45.202 16.113 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -4.967 -30.186 8.017 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -5.752 -29.931 7.484 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -5.010 -31.160 8.059 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -11.357 -32.214 18.687 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -10.919 -32.286 17.813 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -11.731 -33.115 18.835 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -7.331 -30.008 14.012 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -7.572 -29.436 13.271 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -8.111 -30.594 14.124 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -5.413 -31.401 15.375 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -5.410 -32.163 14.791 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -6.018 -30.766 14.936 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -3.800 -45.623 16.594 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -4.268 -46.045 17.345 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -3.070 -46.238 16.394 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -8.761 -40.124 31.020 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -8.645 -39.948 31.955 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -9.365 -40.901 30.994 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -4.443 -38.574 26.050 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -3.636 -38.360 26.543 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -4.855 -37.712 25.883 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -5.817 -30.415 26.945 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -5.848 -29.662 26.318 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -5.449 -30.024 27.761 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -7.910 -34.823 27.442 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -8.111 -33.885 27.316 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -6.975 -34.907 27.165 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 1.327 -43.739 26.021 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 2.019 -43.578 26.692 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 1.773 -43.546 25.173 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.405 -42.321 30.984 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -11.158 -42.743 31.406 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -10.236 -42.870 30.187 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -12.949 -38.629 26.136 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -12.898 -39.219 26.899 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -13.802 -38.860 25.708 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -5.380 -34.767 26.350 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -5.765 -34.360 25.546 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -4.775 -34.078 26.698 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -6.410 -43.030 25.822 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -6.432 -42.079 26.089 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -5.552 -43.359 26.174 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -9.336 -37.113 27.335 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -8.829 -36.276 27.473 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -8.928 -37.512 26.541 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -7.952 -32.099 26.364 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -7.540 -32.610 25.628 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -7.204 -31.583 26.742 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -10.101 -39.751 22.030 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -10.553 -39.698 22.903 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.443 -40.466 22.149 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -11.566 -36.231 25.856 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -12.159 -37.003 25.961 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -10.820 -36.421 26.458 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -0.639 -46.477 19.748 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -0.779 -46.235 20.675 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -0.133 -45.720 19.379 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -11.378 -35.111 23.314 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -11.291 -34.169 23.494 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.432 -35.524 24.206 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -6.648 -33.337 24.347 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -6.712 -34.087 23.709 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -6.709 -32.532 23.782 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -10.992 -44.375 16.380 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -11.833 -44.372 15.917 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -11.244 -44.304 17.331 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -15.412 -39.225 24.935 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -16.201 -39.043 25.456 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -15.531 -38.674 24.121 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -8.706 -43.623 24.468 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -7.857 -43.467 24.933 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -8.848 -42.810 23.956 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -14.772 -41.755 23.892 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -15.650 -42.141 23.876 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -14.905 -40.869 24.284 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -16.111 -37.686 22.821 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -16.946 -37.385 22.456 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -15.435 -37.340 22.189 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.980 -43.680 28.627 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -10.430 -44.071 27.852 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -9.051 -44.001 28.547 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -10.511 -41.055 27.852 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -9.765 -40.469 28.079 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -10.297 -41.897 28.298 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -8.322 -37.757 22.648 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -9.013 -38.372 22.316 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -8.274 -37.956 23.610 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.267 -36.969 20.151 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -8.620 -36.642 19.519 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -8.755 -37.109 20.972 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -8.263 -39.455 28.436 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -8.350 -39.614 29.408 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -8.685 -38.582 28.296 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -8.417 -38.671 25.210 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -7.902 -39.384 25.631 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -9.301 -39.077 25.048 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -10.045 -32.788 16.344 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -10.518 -33.621 16.092 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -9.170 -33.101 16.672 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -11.793 -36.446 20.978 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -10.866 -36.629 20.690 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -11.685 -35.958 21.835 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -6.648 -35.589 22.818 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -5.905 -36.190 22.618 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -7.430 -36.178 22.825 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -11.508 -42.090 25.589 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -11.420 -43.047 25.773 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -11.230 -41.660 26.433 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -12.313 -42.389 22.943 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -13.243 -42.202 23.198 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -11.833 -42.376 23.789 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -10.704 -30.069 23.729 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -10.864 -30.788 24.380 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -10.770 -30.521 22.857 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -6.562 -40.396 26.523 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -7.087 -40.109 27.309 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -5.844 -39.736 26.461 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -3.933 -32.528 27.074 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -4.516 -31.844 26.693 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -3.889 -32.294 28.030 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -10.899 -39.650 24.612 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -11.130 -40.570 24.875 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -11.576 -39.100 25.061 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -12.719 -41.919 20.281 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -12.560 -42.147 21.225 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -12.573 -40.959 20.242 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -12.108 -39.141 20.323 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -12.118 -38.187 20.544 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -11.362 -39.497 20.859 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -10.691 -31.358 21.284 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -9.864 -30.893 21.053 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -10.992 -31.745 20.437 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -3.878 -31.321 29.504 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -4.261 -30.424 29.512 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -2.956 -31.190 29.794 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -1.116 -38.515 26.708 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -0.183 -38.324 26.964 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.081 -39.424 26.371 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -4.171 -44.346 26.680 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -3.560 -44.181 27.406 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -3.753 -45.082 26.179 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -4.678 -44.756 23.619 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -4.086 -45.304 24.178 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -5.296 -44.359 24.251 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -6.913 -30.885 23.182 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -7.580 -30.611 22.524 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -6.331 -30.110 23.265 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -10.653 -44.630 26.073 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -10.856 -45.499 25.714 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -9.903 -44.308 25.516 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -2.923 -46.303 25.177 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.502 -46.530 24.321 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -2.446 -46.875 25.826 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -7.492 -44.509 27.923 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -7.264 -43.977 27.138 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -6.720 -45.065 28.062 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -5.423 -46.645 18.562 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -5.330 -46.317 19.484 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -5.276 -47.613 18.640 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -12.126 -44.170 18.838 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -12.395 -43.301 19.216 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -12.084 -44.753 19.601 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -8.714 -29.468 25.539 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -8.457 -30.383 25.772 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.424 -29.585 24.872 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -2.953 -16.760 -22.070 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -2.535 -17.598 -21.745 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -2.431 -16.526 -22.848 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.748 -11.687 -19.097 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -3.123 -12.529 -18.802 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -2.305 -11.908 -19.940 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -1.624 -19.013 -21.442 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -1.296 -19.667 -20.797 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -0.953 -19.016 -22.151 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -4.446 -25.685 -13.892 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -4.488 -26.537 -13.397 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -5.320 -25.600 -14.284 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -3.734 -9.910 -25.848 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -3.181 -10.172 -26.599 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -3.308 -10.336 -25.076 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -1.843 -12.730 -21.573 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -1.031 -13.112 -21.971 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.282 -13.496 -21.136 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -5.687 -16.814 -21.866 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -4.705 -16.845 -21.918 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -5.978 -17.455 -22.522 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 1.958 -22.824 -17.506 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 1.923 -22.250 -16.706 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 1.028 -23.033 -17.693 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 1.125 -32.442 -18.404 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 1.975 -32.933 -18.373 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 0.630 -32.868 -19.114 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -2.005 -24.408 -20.980 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -2.885 -24.438 -21.364 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -1.666 -25.323 -21.083 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -2.561 -28.828 -19.821 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.703 -29.533 -20.497 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -2.081 -28.129 -20.306 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -5.776 -14.056 -21.506 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -5.975 -14.974 -21.784 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -5.922 -13.520 -22.319 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -6.152 -32.307 -18.077 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -6.677 -32.103 -17.269 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -5.467 -31.592 -18.106 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -3.332 -14.636 -20.340 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -4.225 -14.348 -20.625 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -3.177 -15.463 -20.843 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -4.523 -18.756 -17.123 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -5.145 -19.485 -17.184 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -4.779 -18.160 -17.866 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -8.632 -17.394 -13.149 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -9.183 -17.378 -13.941 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -9.067 -18.031 -12.570 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -3.920 -14.035 -7.501 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -4.262 -14.219 -8.405 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -4.538 -14.521 -6.912 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -10.058 -30.562 -16.438 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -10.512 -31.309 -16.877 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -10.672 -30.293 -15.731 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -5.436 -14.794 -17.471 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -4.536 -15.125 -17.260 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -5.879 -14.733 -16.599 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -4.295 -21.787 -9.456 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -4.300 -22.348 -8.674 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -4.768 -22.299 -10.120 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -4.756 -33.369 -8.421 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.561 -33.107 -8.922 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -4.373 -34.096 -8.956 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -10.289 -31.479 -8.578 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -10.117 -32.282 -8.031 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -11.231 -31.559 -8.820 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -5.123 -14.935 -9.741 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.036 -15.189 -9.560 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -4.675 -15.788 -9.965 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -2.599 -17.361 -2.457 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -2.499 -18.270 -2.082 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -1.782 -16.895 -2.174 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -6.681 -14.472 -15.050 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -6.530 -15.127 -14.338 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -7.565 -14.129 -14.874 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 0.428 -22.436 -8.100 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 0.163 -21.497 -8.053 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 0.977 -22.572 -7.295 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.056 -18.482 -16.039 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -2.972 -18.621 -16.372 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -1.622 -19.333 -16.184 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.102 -15.851 -5.872 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -5.166 -15.455 -4.966 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -5.963 -16.320 -5.984 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -2.402 -24.300 -11.479 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -1.727 -24.544 -12.152 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.215 -24.714 -11.802 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -4.371 -14.212 -12.283 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.027 -14.874 -12.594 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -4.522 -14.170 -11.317 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -2.008 -13.674 -15.854 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -2.245 -14.429 -16.438 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -2.881 -13.317 -15.561 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -4.341 -13.000 -14.763 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.371 -13.229 -13.814 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -5.201 -13.304 -15.107 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -1.681 -27.992 0.883 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -0.893 -28.448 1.205 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.341 -28.717 0.760 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -2.192 -27.242 -4.749 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -2.251 -26.307 -4.974 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -3.009 -27.637 -5.137 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -1.608 -21.851 -16.815 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -2.121 -22.318 -16.122 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -1.327 -22.563 -17.419 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.047 -13.508 -1.350 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.695 -13.020 -0.784 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.180 -13.345 -0.912 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.646 -17.131 -10.304 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -2.762 -16.743 -10.144 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.515 -18.090 -10.136 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -7.065 -29.334 -11.657 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -6.851 -30.216 -12.016 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -8.023 -29.389 -11.452 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -5.391 -17.075 -19.082 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -5.628 -16.960 -20.023 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.563 -16.200 -18.683 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -7.465 -17.123 -5.490 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -8.277 -17.603 -5.669 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -7.494 -16.952 -4.523 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -0.099 -21.178 -0.302 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 0.315 -21.207 -1.176 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -0.331 -22.115 -0.116 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -2.687 -19.656 -9.888 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -1.920 -19.855 -9.319 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -3.307 -20.405 -9.725 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -4.106 -18.236 -4.586 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -3.611 -17.804 -3.857 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -4.548 -17.502 -5.042 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -0.588 -20.869 -19.332 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -0.523 -21.841 -19.369 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -1.022 -20.696 -18.477 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -3.544 -11.041 -2.822 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -3.781 -11.949 -2.566 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -3.917 -10.488 -2.106 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -12.003 -30.197 -14.428 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -12.488 -29.366 -14.410 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -11.935 -30.457 -13.481 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -0.697 -28.888 -3.237 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -0.350 -28.316 -2.517 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -1.233 -28.270 -3.791 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -6.186 -16.194 -12.884 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -7.086 -16.597 -12.915 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -5.643 -16.863 -12.445 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -6.104 -18.668 -1.558 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -5.559 -18.559 -0.771 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -5.656 -19.374 -2.064 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -2.956 -15.842 -17.246 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -2.677 -16.736 -16.972 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.066 -15.910 -18.210 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -4.679 -20.458 -3.177 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.133 -21.095 -3.737 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -4.457 -19.713 -3.790 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 2.091 -21.591 -15.009 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 2.776 -20.999 -14.629 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 1.851 -22.178 -14.275 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -5.943 -34.986 2.397 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -6.232 -34.758 3.311 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -6.650 -35.548 2.062 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -2.592 -19.871 -1.495 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -3.303 -20.296 -2.021 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -2.106 -20.608 -1.107 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -2.712 -23.689 -14.985 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -1.903 -23.964 -14.517 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -3.369 -24.370 -14.743 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -0.829 -21.993 -11.776 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -1.553 -22.601 -11.530 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -0.276 -22.517 -12.376 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -0.481 -23.952 -0.165 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -0.999 -24.662 -0.564 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 0.428 -24.102 -0.507 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -0.111 -27.062 -1.213 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -0.891 -27.319 -0.686 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 0.639 -27.143 -0.576 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -3.678 -29.171 -15.791 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.175 -29.894 -15.337 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.125 -28.366 -15.502 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -0.553 -24.615 -13.489 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -0.514 -25.432 -14.046 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 0.362 -24.270 -13.509 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 0.707 -28.935 -11.046 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 0.490 -28.040 -10.687 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -0.110 -29.225 -11.468 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 0.232 -25.460 -6.767 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -0.290 -25.096 -7.513 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 0.751 -24.700 -6.446 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -0.503 -26.779 -15.137 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -1.105 -27.123 -15.824 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 0.277 -27.340 -15.209 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -0.372 -33.853 0.242 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 0.299 -34.194 -0.390 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -0.379 -32.902 0.086 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -1.620 -28.163 -17.292 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -1.906 -28.419 -18.197 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -2.244 -28.639 -16.703 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -3.657 -11.336 -7.010 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.940 -11.247 -6.091 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -3.723 -12.298 -7.190 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -7.507 -16.724 -2.775 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -6.980 -17.446 -2.348 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -8.286 -16.641 -2.215 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -5.338 -14.990 -3.364 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -4.995 -14.464 -2.616 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -6.117 -15.454 -2.996 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -3.525 -9.160 -8.676 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.704 -9.975 -8.155 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -3.061 -8.569 -8.036 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -4.825 -28.081 -12.648 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -4.308 -28.892 -12.667 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -5.686 -28.357 -12.257 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -11.849 -31.166 -11.862 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -12.379 -31.309 -11.051 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -11.466 -32.049 -12.052 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -9.561 -30.070 -10.820 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -9.766 -30.579 -10.011 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -10.321 -30.245 -11.406 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -5.473 -30.819 -14.640 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -5.737 -31.233 -13.793 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -6.220 -31.021 -15.241 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -3.873 -33.168 2.845 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -4.675 -33.653 2.566 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -4.069 -32.889 3.763 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -0.295 -16.156 -1.523 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -0.073 -16.998 -1.064 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -0.043 -15.467 -0.882 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -5.922 -23.702 10.052 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -6.533 -23.571 10.810 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -6.166 -22.990 9.424 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -6.251 -26.198 13.811 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -6.555 -25.373 14.255 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -5.323 -25.989 13.536 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -7.971 -29.348 11.188 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -7.796 -30.308 11.278 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -7.076 -28.930 11.243 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -3.056 -28.965 9.453 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -2.738 -28.266 8.864 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -3.753 -29.427 8.922 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -10.021 -27.612 11.782 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -9.294 -28.238 11.564 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -10.425 -27.414 10.929 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -6.018 -20.418 15.668 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -6.726 -20.280 15.034 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -6.368 -21.103 16.272 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -3.777 -25.664 12.954 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -3.327 -24.795 13.050 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -3.806 -25.810 11.986 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -4.246 -23.260 15.340 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -3.659 -22.977 14.623 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -4.048 -22.639 16.075 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -1.360 -31.380 3.045 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -2.168 -31.147 3.539 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -0.662 -30.835 3.463 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -1.717 -12.912 -0.021 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -1.140 -12.373 -0.596 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -1.114 -13.591 0.358 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -0.991 -17.620 17.961 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -0.012 -17.603 17.997 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -1.195 -18.430 17.484 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -9.370 -27.079 16.207 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.293 -26.671 15.320 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -10.280 -27.435 16.226 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -7.568 -22.470 17.009 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -7.705 -23.315 17.484 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -8.407 -21.979 17.152 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.011 -29.335 8.661 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -9.309 -30.262 8.719 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -8.581 -29.168 9.523 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -7.661 -23.307 12.150 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -8.592 -23.140 12.319 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -7.267 -23.396 13.045 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -4.738 -6.065 16.733 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -5.696 -5.990 16.743 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.452 -5.582 17.517 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -6.644 -21.618 8.361 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -7.178 -20.837 8.527 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -6.416 -21.559 7.428 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.189 -25.860 13.748 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -9.601 -26.361 13.011 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -8.249 -25.811 13.503 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -2.688 -23.169 12.856 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -2.206 -22.661 13.537 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -2.557 -22.654 12.043 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -11.705 -28.334 20.817 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -11.096 -27.828 21.384 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -12.179 -28.906 21.430 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -1.971 -26.687 7.009 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -2.464 -26.297 6.254 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -1.090 -26.249 6.969 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 1.484 -22.737 17.089 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 1.440 -21.939 17.653 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 1.487 -23.475 17.729 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -1.375 -21.296 11.207 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -1.763 -20.501 10.823 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -0.759 -20.956 11.893 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -0.559 -10.761 -1.382 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -0.809 -10.207 -2.152 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -0.975 -10.313 -0.620 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -10.057 -23.942 15.725 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -9.834 -24.490 14.952 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -9.569 -24.359 16.463 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -4.334 -25.885 10.274 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -3.980 -25.989 9.382 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -4.902 -25.074 10.214 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -3.784 -16.106 -0.344 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -3.545 -16.571 -1.171 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -3.985 -15.197 -0.633 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -3.421 -19.515 15.604 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -3.511 -18.546 15.757 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -4.355 -19.837 15.567 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -8.222 -18.806 27.866 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -8.889 -19.266 27.306 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -8.415 -19.118 28.772 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -1.963 -16.816 1.553 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -2.649 -16.587 0.878 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -2.459 -16.888 2.375 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -8.382 -26.173 20.416 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -7.524 -26.641 20.571 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.025 -26.687 20.931 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -11.976 -28.062 16.080 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -11.815 -28.614 16.884 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -12.817 -27.628 16.258 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -6.803 -23.706 14.696 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -5.840 -23.563 14.874 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -7.248 -23.259 15.447 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -6.363 -25.624 23.544 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -6.176 -25.690 24.497 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -6.083 -26.498 23.182 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -3.621 -21.563 17.421 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -3.318 -20.759 16.956 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -2.899 -21.764 18.055 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -9.573 -31.550 13.976 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -9.838 -31.999 14.810 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -10.164 -30.756 13.933 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -8.547 -25.056 17.857 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.489 -25.329 18.797 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -8.755 -25.889 17.380 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -10.853 -29.216 13.883 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -10.738 -28.508 13.221 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -11.317 -28.777 14.628 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -11.393 -29.441 18.330 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -11.536 -30.386 18.551 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -11.514 -28.973 19.190 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -2.973 -16.152 19.143 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -2.334 -16.662 18.588 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -3.847 -16.358 18.756 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -5.215 -20.725 19.512 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -4.929 -21.403 20.135 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -4.898 -21.050 18.644 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 2.379 -22.980 9.654 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 1.465 -23.264 9.856 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 2.882 -23.203 10.462 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -3.927 -16.900 16.222 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.646 -16.796 16.879 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -3.539 -16.024 16.153 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -0.171 -23.669 10.503 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -0.813 -24.312 10.173 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -0.696 -22.845 10.625 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -2.966 -30.378 0.601 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -3.797 -30.673 0.166 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -2.809 -31.042 1.290 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -1.258 -29.267 6.389 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -2.041 -29.649 5.940 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -1.530 -28.349 6.606 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -5.731 -27.917 11.692 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -5.968 -27.317 12.427 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -5.194 -27.357 11.090 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -4.594 -32.709 5.497 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -4.471 -32.746 6.473 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -5.390 -33.257 5.340 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -3.351 -30.358 4.846 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -3.756 -31.191 5.176 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -4.059 -29.707 4.924 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.320 -32.070 9.071 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -8.856 -32.073 9.942 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -10.099 -32.616 9.219 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -3.749 -29.893 11.939 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -4.540 -29.462 12.300 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -3.652 -29.495 11.049 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -8.609 -32.875 6.411 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -8.572 -32.612 7.351 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -9.400 -32.445 6.077 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.193 -29.383 6.624 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -7.708 -29.304 5.819 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.852 -29.265 7.345 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -2.997 -14.002 20.781 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -3.349 -14.528 21.531 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -2.947 -14.650 20.044 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -3.699 -18.645 27.394 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -3.883 -17.679 27.399 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -3.230 -18.807 28.248 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -9.085 -18.216 32.201 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -8.916 -18.848 31.472 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -9.914 -17.796 31.961 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -2.696 -19.774 25.127 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -3.137 -19.479 25.954 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -1.910 -20.265 25.438 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.340 -25.809 29.858 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -2.115 -26.745 29.654 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -3.255 -25.708 29.523 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -9.784 -20.394 26.335 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -10.660 -20.772 26.138 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -9.195 -21.177 26.376 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -6.019 -25.653 26.406 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -6.041 -26.617 26.202 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -6.935 -25.445 26.685 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -0.193 -24.561 30.836 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -0.973 -25.045 30.462 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 0.192 -25.183 31.461 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -6.848 -17.281 26.036 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -7.463 -17.670 26.700 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -7.377 -16.570 25.602 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -6.842 -18.185 33.766 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -6.236 -18.243 32.996 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -7.735 -18.100 33.359 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -4.928 -25.736 28.933 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -5.192 -25.622 27.994 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -5.366 -24.996 29.396 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.540 -16.097 26.851 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -5.412 -16.461 26.565 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -4.640 -15.139 26.760 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -3.043 -17.026 24.699 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -2.832 -17.983 24.715 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -3.547 -16.878 25.525 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -2.609 -17.616 33.180 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -3.303 -17.424 33.860 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -1.837 -17.132 33.491 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -8.701 -20.230 23.755 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -9.206 -20.087 24.576 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -9.260 -20.832 23.235 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -8.876 -24.039 22.097 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -7.991 -23.803 22.416 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -8.705 -24.667 21.366 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -0.272 -20.326 28.429 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 0.210 -21.100 28.804 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -0.365 -20.543 27.481 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -6.177 -22.295 25.608 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -6.191 -21.324 25.444 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -7.113 -22.519 25.802 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -5.920 -20.868 30.799 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -5.470 -20.182 31.336 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -5.765 -20.585 29.869 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -6.282 -19.729 24.868 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.087 -19.835 24.311 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -6.361 -18.824 25.232 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -5.741 -23.616 30.613 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -5.867 -22.644 30.714 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -4.957 -23.807 31.145 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -5.897 -23.027 22.963 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -6.033 -22.772 23.897 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.980 -24.007 22.970 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -8.528 -29.536 21.295 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -7.749 -29.013 21.008 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -9.081 -28.891 21.773 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -8.798 -22.923 26.085 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.703 -22.965 25.719 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -8.703 -23.765 26.588 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -11.432 -22.330 25.210 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -12.330 -22.677 25.229 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -11.239 -22.208 24.251 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -10.153 -21.567 17.037 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -10.962 -21.089 16.847 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -10.258 -22.420 16.557 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -8.542 -20.145 30.298 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -9.020 -20.980 30.224 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.637 -20.411 30.575 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -8.494 -25.199 27.536 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -8.501 -24.915 28.479 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -8.782 -26.142 27.570 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -7.887 -11.016 31.847 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -7.926 -10.556 32.689 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -8.509 -11.740 31.941 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -4.951 -18.388 31.769 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -4.826 -17.951 30.917 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -4.114 -18.216 32.248 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -4.111 -15.777 22.525 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -3.603 -16.267 23.213 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -5.030 -15.863 22.808 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -5.766 -20.263 28.163 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -6.582 -19.809 27.871 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -5.042 -19.727 27.770 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -6.292 -20.376 35.294 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -6.519 -19.581 34.763 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -7.104 -20.587 35.761 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -5.813 -18.252 20.394 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -5.608 -19.136 19.996 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -6.335 -18.464 21.177 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.893 -7.330 18.331 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -2.175 -6.753 19.079 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -1.118 -6.867 17.951 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -4.283 -20.714 22.798 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -4.312 -20.434 23.731 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -4.927 -21.451 22.749 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -10.647 -22.068 22.615 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -10.036 -22.832 22.461 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -10.984 -21.857 21.736 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -10.664 -32.175 25.522 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -11.174 -32.841 25.997 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -9.756 -32.274 25.871 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -8.307 -24.528 30.156 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -8.557 -24.947 30.984 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -7.400 -24.195 30.319 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.609 -16.459 18.342 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -5.692 -17.132 19.061 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -6.438 -15.972 18.379 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -3.909 -21.292 34.365 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -3.638 -21.890 35.065 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -4.780 -20.946 34.670 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -2.488 -19.314 29.703 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -1.640 -19.645 29.330 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -2.480 -19.629 30.628 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -4.545 -17.230 34.995 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -5.432 -17.460 34.646 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.658 -17.239 35.950 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -2.484 -20.223 32.336 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -2.347 -19.314 32.672 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -3.034 -20.654 33.035 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -2.145 -22.455 30.765 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -2.126 -21.706 31.402 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -1.475 -23.076 31.104 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -5.777 -13.683 23.585 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -5.170 -13.740 22.838 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -5.222 -13.327 24.317 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -9.005 -27.850 27.760 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -8.843 -28.479 28.469 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -8.954 -28.390 26.943 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -1.032 -29.272 26.752 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -1.062 -30.230 26.943 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -0.813 -29.231 25.793 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -6.274 -28.161 25.430 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -7.173 -28.542 25.347 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -5.909 -28.197 24.507 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -9.778 -27.389 22.619 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -9.306 -26.647 23.034 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -10.099 -27.920 23.371 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -2.604 -11.320 20.501 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -2.589 -12.297 20.649 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -3.529 -11.081 20.630 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -6.192 -11.300 -28.662 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -6.754 -12.051 -28.876 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -6.350 -11.145 -27.709 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -6.019 -12.191 -23.551 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -5.719 -11.367 -23.128 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -6.284 -11.918 -24.444 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -4.475 -6.363 -22.422 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -4.457 -6.613 -23.371 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -3.844 -5.604 -22.363 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -2.832 -7.721 -20.660 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -3.383 -8.284 -20.070 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -3.483 -7.179 -21.149 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -5.087 -9.863 -22.235 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -5.603 -10.081 -21.424 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -5.128 -8.898 -22.288 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -3.621 -4.343 -26.968 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.597 -5.219 -26.554 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -3.982 -3.769 -26.285 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 0.188 -1.550 -20.893 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -0.643 -1.481 -20.374 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 0.161 -0.765 -21.491 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -2.826 -10.946 -23.366 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -2.508 -11.620 -22.718 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -3.655 -10.602 -22.961 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -4.362 -9.695 -29.927 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -4.819 -8.889 -29.679 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -4.933 -10.413 -29.568 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -6.644 -10.302 -20.005 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -6.538 -11.233 -19.674 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -7.578 -10.111 -19.870 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 0.664 -3.855 -31.842 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 0.469 -3.248 -31.085 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 0.535 -3.306 -32.623 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 1.254 1.853 -25.513 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 1.327 1.150 -26.202 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 1.014 2.640 -26.008 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -0.120 -2.414 -29.702 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 0.356 -2.438 -28.848 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -1.028 -2.700 -29.479 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -2.120 -1.387 -19.397 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -2.822 -0.731 -19.319 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -2.598 -2.250 -19.432 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -2.708 -4.347 -21.997 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -2.206 -3.582 -22.295 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -2.860 -4.179 -21.044 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -1.990 -9.700 -31.283 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -2.286 -9.626 -32.195 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -2.827 -9.744 -30.761 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -2.615 -3.627 -29.405 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -3.365 -3.213 -29.846 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.969 -3.889 -28.521 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.533 -5.138 -20.175 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -5.321 -5.640 -20.988 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -6.488 -5.032 -20.204 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -0.983 -12.282 -25.012 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -1.687 -11.833 -24.514 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -0.421 -12.684 -24.320 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -6.403 -10.563 -25.955 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -5.461 -10.282 -25.928 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -6.886 -9.809 -25.605 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.679 -7.232 -24.932 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -3.848 -8.050 -25.435 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -2.884 -7.445 -24.397 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -6.304 -12.811 -19.144 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -6.193 -13.290 -19.994 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -6.063 -13.475 -18.464 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.451 -5.093 -2.478 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.142 -4.559 -1.735 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -2.634 -4.430 -3.189 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -5.384 -3.214 -12.735 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.341 -3.211 -12.655 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.082 -3.766 -11.979 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -1.497 -6.989 -4.294 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -0.668 -6.535 -4.484 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -1.932 -6.421 -3.621 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -4.751 -4.725 -10.568 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.234 -5.251 -9.923 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -3.813 -4.889 -10.357 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -4.159 -7.094 -1.550 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -4.918 -6.859 -2.090 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -3.477 -6.439 -1.798 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -4.072 -7.743 -16.854 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -4.081 -8.342 -17.632 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -5.002 -7.564 -16.686 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -0.084 -5.889 -16.653 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -0.929 -6.130 -16.206 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 0.254 -5.138 -16.123 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -2.046 -10.249 0.917 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -1.830 -10.077 1.841 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -2.110 -11.224 0.861 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -2.723 -4.094 -16.577 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -2.684 -4.934 -16.077 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -3.231 -3.485 -15.984 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 0.379 -3.683 -15.039 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -0.410 -3.634 -14.482 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 0.181 -3.075 -15.787 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -3.296 -3.828 -19.305 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -4.148 -4.284 -19.500 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -3.125 -4.037 -18.360 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -1.858 -8.332 -23.170 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -2.060 -8.139 -22.232 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -1.969 -9.298 -23.244 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -3.910 -2.364 -14.850 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -4.014 -1.417 -14.721 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -4.426 -2.764 -14.110 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -4.245 -9.399 -19.017 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -5.133 -9.702 -19.307 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -3.704 -10.223 -19.003 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -2.285 -6.562 -15.234 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -2.958 -7.024 -15.792 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -2.280 -7.074 -14.398 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -2.785 -3.161 -4.330 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -3.282 -2.333 -4.139 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -2.526 -3.071 -5.253 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -1.354 -9.710 -3.805 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -2.252 -10.051 -3.584 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -1.496 -8.756 -3.990 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -2.185 -8.287 -12.968 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -1.984 -7.742 -12.180 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -2.873 -8.908 -12.654 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -4.290 -9.616 -0.545 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -4.319 -8.668 -0.817 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -3.485 -9.680 0.009 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -1.966 -7.711 -7.012 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -1.957 -7.492 -6.062 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -1.130 -7.318 -7.356 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -3.913 -9.808 -11.338 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -3.821 -9.615 -10.377 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -4.861 -9.928 -11.464 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -1.720 -14.420 -13.113 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -2.655 -14.336 -12.834 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -1.717 -14.111 -14.039 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -5.558 -11.939 0.232 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -5.232 -11.040 0.008 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -6.265 -11.784 0.865 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 2.006 -7.382 14.588 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 1.078 -7.148 14.376 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 2.143 -8.240 14.132 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -1.167 -2.882 20.315 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -0.673 -3.590 19.849 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -0.683 -2.068 20.086 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -0.663 -6.786 14.374 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -1.017 -6.394 13.568 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -1.453 -7.192 14.811 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -1.760 -10.029 18.199 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -1.923 -9.064 18.305 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -1.959 -10.403 19.083 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 0.834 -0.845 19.990 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 0.611 0.083 19.861 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 1.179 -0.882 20.916 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -2.784 -7.714 15.757 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -2.503 -7.815 16.686 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -3.601 -7.173 15.819 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.108 -8.954 21.005 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -1.560 -9.805 21.138 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -1.447 -8.386 21.720 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -5.643 -6.380 29.444 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -6.518 -6.059 29.670 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -5.754 -7.359 29.387 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 1.524 -0.936 22.600 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 2.156 -1.291 23.251 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 0.645 -1.184 22.958 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -2.639 -6.199 26.174 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -2.729 -5.817 27.082 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -3.520 -6.540 25.978 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -0.875 -2.220 22.993 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -1.265 -2.330 22.102 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -1.278 -2.939 23.519 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 0.436 -4.722 19.059 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 0.542 -5.377 19.783 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 0.332 -5.273 18.253 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -3.365 -5.208 28.553 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -3.245 -4.528 29.219 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -4.173 -5.694 28.849 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -2.462 -5.655 20.441 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -2.309 -6.050 21.316 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -2.293 -4.707 20.572 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -6.208 -9.045 29.282 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -5.868 -9.563 28.519 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -6.582 -9.711 29.873 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -5.176 -10.570 27.206 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -5.491 -11.379 26.789 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -4.296 -10.428 26.814 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -2.609 -10.532 25.776 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -2.230 -9.667 25.515 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -1.819 -11.096 25.931 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -7.818 -15.020 24.838 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -8.592 -14.465 24.711 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -7.098 -14.540 24.369 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 8.645 -58.651 -5.195 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 7.783 -58.327 -4.865 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 8.622 -59.612 -5.020 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 2.622 -58.087 -7.384 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.897 -58.285 -6.761 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 3.411 -57.998 -6.815 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 9.591 -56.883 -7.986 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 9.290 -57.335 -8.813 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 8.808 -56.926 -7.394 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 3.260 -55.014 -5.745 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 2.589 -55.070 -5.040 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 3.646 -54.128 -5.636 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 7.139 -56.347 -6.762 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 7.202 -55.810 -5.950 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 6.333 -56.889 -6.627 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 8.770 -52.805 -6.272 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 8.067 -52.272 -6.693 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 9.209 -53.254 -7.019 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 8.755 -57.968 -10.316 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 8.001 -57.443 -10.680 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 8.664 -58.827 -10.733 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 13.210 -60.068 -1.782 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 12.606 -59.978 -2.561 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 14.035 -60.411 -2.157 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 8.344 -55.810 -2.685 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 7.953 -55.211 -3.360 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 7.839 -55.613 -1.871 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 7.111 -54.200 -8.467 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 8.074 -54.239 -8.625 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 6.915 -55.037 -7.990 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 1.598 -55.520 -3.394 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 2.264 -54.833 -3.136 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 2.012 -56.364 -3.113 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 1.484 -51.800 -3.263 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 2.257 -52.379 -3.090 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 0.713 -52.369 -3.064 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 -0.559 -53.671 -3.314 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 0.055 -54.432 -3.344 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 -1.433 -54.074 -3.209 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -1.107 -51.611 -5.157 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -0.833 -52.288 -4.502 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -0.317 -51.045 -5.260 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 4.021 -49.842 -8.633 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 3.578 -49.073 -9.070 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 4.866 -49.922 -9.097 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 12.700 -50.742 -14.827 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 13.520 -50.836 -14.294 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 12.892 -49.996 -15.426 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 14.238 -57.588 -1.274 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 13.861 -57.142 -0.483 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 13.735 -58.426 -1.337 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 8.705 -61.120 -4.027 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 8.202 -61.935 -4.126 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 8.586 -60.878 -3.078 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 0.634 -58.889 -5.573 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 0.519 -59.799 -5.860 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 0.812 -58.962 -4.602 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 8.130 -58.168 0.153 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 7.780 -57.310 -0.176 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 9.075 -57.984 0.349 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 1.165 -59.118 -2.949 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 1.974 -58.674 -2.620 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 0.779 -59.529 -2.159 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 6.542 -57.713 -3.647 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 6.167 -58.226 -2.897 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 7.173 -57.100 -3.223 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 6.730 -54.235 -12.676 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 6.519 -53.700 -13.445 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 6.558 -53.640 -11.915 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 12.661 -55.927 -5.410 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 12.631 -56.412 -6.267 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 11.853 -56.234 -4.935 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 4.764 -57.326 -5.755 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 5.211 -57.461 -4.893 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 4.248 -56.500 -5.634 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 11.145 -54.274 -10.873 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 12.027 -53.843 -10.769 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 11.337 -55.095 -11.342 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 -0.885 -60.419 -1.342 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -1.383 -61.224 -1.619 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -1.350 -59.680 -1.797 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 6.527 -55.937 -0.466 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 5.673 -55.698 -0.898 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 6.400 -55.659 0.475 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 9.883 -54.244 -8.457 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 9.830 -55.202 -8.216 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 10.204 -54.251 -9.390 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 10.457 -56.978 -4.144 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 9.823 -57.512 -4.681 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 9.883 -56.508 -3.502 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 6.399 -51.807 -7.317 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 6.438 -52.670 -7.784 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 5.737 -51.950 -6.606 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 6.079 -52.704 -10.490 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 5.098 -52.827 -10.455 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 6.419 -53.329 -9.813 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 7.327 -50.426 -9.481 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 6.956 -51.099 -10.094 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 7.021 -50.723 -8.596 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 17.282 -46.268 -12.416 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 17.039 -45.498 -12.962 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 16.445 -46.527 -11.980 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 6.645 -56.674 -11.384 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 6.732 -55.861 -11.929 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 5.754 -56.621 -11.021 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 10.247 -51.797 -11.753 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 10.460 -52.728 -11.549 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 10.176 -51.776 -12.730 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 5.539 -58.939 -1.410 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 6.148 -58.840 -0.664 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 5.106 -59.816 -1.254 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 8.040 -49.883 -13.107 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 7.367 -49.528 -13.719 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 8.644 -50.397 -13.684 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 12.259 -57.401 -7.660 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 11.311 -57.191 -7.818 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 12.299 -58.360 -7.711 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 7.398 -50.296 -16.923 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 7.050 -50.537 -17.785 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 8.340 -50.577 -16.958 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 13.397 -52.831 -10.316 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 13.393 -51.932 -10.703 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 14.351 -53.000 -10.117 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 -2.485 -60.171 0.899 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 -1.665 -60.293 0.377 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 -3.065 -59.641 0.312 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 3.387 -57.448 -2.390 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 4.103 -58.044 -2.090 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 3.680 -56.552 -2.088 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 7.172 -54.360 -4.712 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 7.836 -53.803 -5.179 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 6.343 -53.858 -4.794 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 11.100 -60.490 -0.162 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 11.847 -60.425 -0.801 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 11.020 -59.573 0.208 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 1.507 -61.157 -0.194 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 1.315 -60.864 0.720 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 0.664 -61.021 -0.667 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 4.239 -61.173 -0.651 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 4.641 -61.393 0.213 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 3.271 -61.261 -0.497 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 8.650 -60.434 -1.400 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 9.572 -60.462 -1.077 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 8.247 -59.700 -0.897 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 5.695 -65.934 2.154 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 6.178 -65.105 2.174 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 4.773 -65.674 2.148 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 10.056 -51.233 -14.456 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 9.824 -51.298 -15.403 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 11.030 -51.056 -14.465 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 2.042 -51.730 -8.387 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 1.574 -51.418 -7.607 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 2.776 -51.089 -8.499 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 3.489 -53.396 -10.065 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 2.824 -52.856 -9.592 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 3.435 -54.275 -9.627 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 14.126 -50.139 -6.693 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 14.982 -50.612 -6.651 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 14.254 -49.359 -6.117 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 15.537 -54.871 -7.330 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 16.377 -54.902 -6.804 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 15.387 -55.789 -7.589 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 3.329 -55.639 -8.478 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 3.300 -55.321 -7.557 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 3.031 -56.568 -8.416 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 14.784 -56.393 -3.656 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 14.521 -56.767 -2.787 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 13.967 -56.421 -4.188 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 11.275 -59.707 -3.656 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 11.077 -58.779 -3.878 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 10.459 -60.186 -3.888 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 12.073 -50.342 -8.528 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 12.780 -50.096 -7.891 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 11.887 -51.277 -8.321 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 1.106 -49.923 -5.209 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 2.028 -49.807 -5.528 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 1.209 -50.446 -4.380 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 4.696 -52.463 -5.262 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 4.294 -52.826 -4.435 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 4.245 -51.597 -5.387 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 3.760 -49.940 -5.906 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 4.397 -49.300 -5.506 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 3.926 -49.867 -6.873 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 9.947 -51.265 -17.230 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 10.268 -52.130 -17.507 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 10.652 -50.641 -17.537 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 14.443 -47.563 -13.950 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 14.638 -47.765 -13.008 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 15.322 -47.566 -14.383 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 13.654 -58.816 6.603 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 13.327 -59.094 5.713 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 13.763 -59.646 7.084 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 12.054 -56.668 7.251 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 12.598 -57.481 7.170 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 11.304 -56.819 6.647 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 4.068 -56.933 11.842 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 3.436 -57.644 11.598 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 3.570 -56.378 12.485 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 13.463 -54.978 5.649 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 13.038 -55.505 6.357 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 13.116 -54.068 5.791 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 0.225 -58.045 4.813 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 -0.495 -58.492 4.318 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 0.830 -58.774 5.059 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 1.276 -54.789 8.177 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 0.494 -54.833 7.612 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 1.027 -55.302 8.972 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 3.019 -57.189 7.470 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 2.733 -56.736 6.645 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 2.359 -57.901 7.592 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 -1.399 -59.581 10.157 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 -1.040 -60.275 9.556 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 -0.866 -59.678 10.973 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 6.285 -56.747 9.368 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 6.638 -56.848 10.278 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 6.753 -57.436 8.855 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 7.845 -56.517 3.675 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 7.385 -57.366 3.703 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 7.262 -55.949 3.114 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 -0.022 -61.308 8.628 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 0.559 -60.661 8.168 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 0.415 -62.152 8.494 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 12.022 -52.733 6.311 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 11.163 -53.191 6.432 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 11.873 -51.856 6.673 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 9.678 -54.146 6.700 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 8.727 -54.007 6.798 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 9.747 -54.958 6.151 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 13.274 -53.947 15.320 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 13.241 -53.578 14.411 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 13.669 -53.230 15.857 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 10.026 -56.475 5.221 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 10.788 -56.463 4.594 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 9.231 -56.442 4.630 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 10.839 -53.676 11.528 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 10.173 -54.315 11.883 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 10.960 -53.956 10.590 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 3.996 -56.673 16.990 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 3.942 -57.348 16.310 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 3.322 -56.012 16.730 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 2.263 -56.254 4.998 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 2.873 -56.285 4.220 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 1.566 -56.914 4.784 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 2.556 -55.386 13.482 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 2.598 -55.193 14.441 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 1.704 -54.985 13.195 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 5.970 -61.083 1.561 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 6.824 -61.363 1.942 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 5.887 -60.152 1.827 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 4.084 -60.043 9.414 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 4.816 -60.200 10.050 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.540 -59.734 8.603 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 4.991 -59.039 7.046 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 4.415 -58.257 7.202 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 4.872 -59.237 6.091 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 9.127 -59.073 5.796 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 9.342 -58.123 5.850 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 9.466 -59.340 4.920 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 9.314 -58.097 16.357 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 10.287 -58.006 16.435 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 8.980 -57.179 16.441 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 7.468 -58.966 8.177 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 6.619 -59.100 7.696 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 8.151 -59.076 7.490 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 2.169 -58.657 10.885 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 1.504 -59.261 11.271 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 2.739 -59.243 10.337 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 2.079 -60.097 4.701 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 3.023 -59.894 4.498 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 1.692 -60.322 3.830 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 1.911 -59.815 7.428 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 2.731 -60.076 7.882 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 2.071 -60.043 6.485 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 4.718 -59.541 4.374 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 5.501 -60.115 4.561 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 4.951 -59.086 3.544 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 6.054 -58.320 2.045 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 6.845 -58.291 1.465 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 5.766 -57.375 2.104 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 13.331 -44.742 18.983 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 14.265 -44.620 18.709 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 12.809 -44.444 18.210 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 2.083 -54.929 16.110 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 1.347 -54.977 16.762 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 2.124 -53.981 15.866 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 6.557 -59.988 10.648 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 7.013 -59.660 9.846 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 7.179 -59.812 11.362 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 7.500 -58.639 14.242 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.210 -58.403 14.875 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 7.139 -59.458 14.590 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 8.449 -61.374 2.814 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 8.824 -61.987 2.141 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 9.132 -60.675 2.906 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 8.914 -55.232 12.614 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 8.611 -54.837 13.456 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 8.199 -55.852 12.369 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 10.227 -59.318 3.182 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 10.351 -58.777 2.368 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 11.125 -59.364 3.573 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 0.103 -59.707 12.472 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 -0.155 -60.282 13.200 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 0.138 -58.807 12.876 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 6.349 -56.319 18.306 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 5.486 -56.411 17.846 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 6.971 -56.053 17.600 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 8.142 -53.672 14.745 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 8.693 -52.938 14.412 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 7.336 -53.228 15.094 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 16.106 -59.469 1.352 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 15.200 -59.822 1.469 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 15.997 -58.495 1.481 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 -0.022 -56.724 1.819 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 -0.579 -56.891 1.035 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 0.877 -56.586 1.446 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 13.195 -55.803 12.351 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 12.417 -55.967 11.806 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 13.244 -54.833 12.412 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 11.747 -46.976 16.625 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 12.357 -47.259 15.929 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 12.113 -47.352 17.433 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 0.495 -54.302 4.328 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 1.146 -54.923 4.722 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 1.023 -53.521 4.099 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 12.626 -63.274 8.695 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 12.624 -63.886 9.434 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 11.931 -63.594 8.118 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 7.032 -60.740 5.027 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 7.478 -61.162 4.261 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.751 -60.276 5.492 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 3.088 -58.532 1.848 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 3.343 -57.664 2.240 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 3.826 -58.753 1.266 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 14.045 -50.270 11.525 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 14.657 -49.513 11.695 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 14.261 -50.546 10.630 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 -0.006 -55.013 17.895 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 -0.619 -55.697 18.185 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 -0.240 -54.240 18.430 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 8.515 -55.498 16.720 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 9.409 -55.195 16.981 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 8.264 -54.890 15.991 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 13.809 -56.654 14.912 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 13.692 -55.724 15.203 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 13.671 -56.613 13.940 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 0.346 -57.258 13.660 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 1.211 -56.980 13.991 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 -0.112 -56.420 13.468 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 6.814 -57.057 12.065 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 5.832 -57.090 12.035 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 7.050 -57.620 12.835 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 2.291 -55.764 0.497 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 2.830 -55.484 -0.271 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 2.942 -55.872 1.220 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 11.192 -54.890 17.004 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 11.789 -54.432 16.379 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 11.481 -55.828 16.963 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 11.181 -54.736 9.017 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 10.572 -54.413 8.329 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 11.619 -55.506 8.601 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 11.971 -57.514 16.848 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 12.689 -57.463 16.181 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 12.417 -57.831 17.655 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 12.807 -47.316 13.803 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 13.713 -47.010 13.589 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.263 -46.497 13.744 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 16.897 -51.499 17.053 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 15.972 -51.770 16.897 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 17.327 -52.298 17.369 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 14.143 -51.894 17.020 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 13.836 -52.342 17.847 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 14.297 -50.960 17.294 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 15.180 -57.086 4.930 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 14.801 -56.225 5.203 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 14.797 -57.725 5.562 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 13.157 -52.914 12.720 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 12.310 -53.072 12.241 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 13.502 -52.091 12.330 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 15.387 -56.992 2.033 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 14.498 -56.830 1.645 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 15.248 -56.917 2.995 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 13.369 -59.649 1.536 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 13.078 -58.740 1.285 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 12.810 -60.232 1.000 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 12.262 -56.466 3.704 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 12.791 -55.781 4.168 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 12.525 -56.381 2.760 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 1.266 -56.046 10.664 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 0.673 -55.808 11.397 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 1.333 -57.026 10.715 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 15.132 -58.144 16.783 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 15.582 -58.900 16.397 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 14.788 -57.646 16.011 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 9.459 -62.550 0.616 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 10.201 -61.951 0.395 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 8.873 -62.490 -0.147 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 12.772 -59.108 4.103 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 12.663 -58.144 3.946 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 13.191 -59.439 3.278 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 -1.214 -57.047 9.043 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 -1.224 -58.002 9.259 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -1.441 -56.612 9.888 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 9.859 -51.748 13.384 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 10.489 -51.073 13.074 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 9.971 -52.483 12.749 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 11.760 -49.726 13.067 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 12.054 -48.841 13.398 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 12.464 -49.985 12.433 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 13.390 -47.453 19.514 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 14.342 -47.524 19.747 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 13.241 -46.486 19.412 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 7.765 -48.051 25.566 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 8.140 -48.747 24.998 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 6.948 -48.445 25.914 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 11.569 -54.517 22.360 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 11.322 -54.594 21.412 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 10.766 -54.155 22.787 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 8.347 -49.904 23.375 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 7.896 -50.663 23.803 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 7.899 -49.814 22.520 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 11.587 -51.589 22.334 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 12.008 -52.466 22.342 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 10.694 -51.755 22.675 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 10.936 -54.860 19.698 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 10.572 -55.764 19.765 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 10.975 -54.694 18.730 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 8.148 -58.800 21.230 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 7.202 -58.867 21.057 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 8.224 -58.910 22.185 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 12.774 -57.035 22.394 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 13.109 -57.220 23.274 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 12.420 -56.121 22.456 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 12.455 -57.756 19.750 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 11.482 -57.750 19.691 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 12.637 -57.642 20.711 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 9.227 -53.346 23.334 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 8.726 -52.762 23.944 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 8.779 -54.219 23.424 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 12.612 -50.202 19.854 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 12.810 -49.267 20.053 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 12.242 -50.550 20.688 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 6.504 -47.396 22.951 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 5.799 -46.796 23.275 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 7.163 -47.391 23.664 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 5.578 -49.956 25.662 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 5.368 -49.370 26.417 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 5.010 -49.616 24.937 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 8.715 -50.737 19.670 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 8.154 -50.041 20.072 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 8.416 -51.564 20.104 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 14.632 -56.415 18.834 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 13.853 -56.877 19.213 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 14.943 -57.017 18.124 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 7.092 -52.034 24.563 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 6.440 -52.716 24.301 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 6.568 -51.395 25.098 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 13.198 -53.193 19.215 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 13.940 -53.738 19.545 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 12.401 -53.673 19.509 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 7.584 -55.503 23.201 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 7.589 -55.678 22.236 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 6.729 -55.059 23.359 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 5.267 -53.980 23.696 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 4.615 -53.605 23.061 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 4.724 -54.371 24.389 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 3.862 -48.452 24.137 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 4.106 -47.612 24.574 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 3.819 -48.221 23.194 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 14.742 -49.139 21.952 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 14.931 -50.056 21.657 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 15.261 -48.583 21.340 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 15.591 -54.273 20.117 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 16.200 -54.630 20.771 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 15.316 -55.064 19.587 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.499 -51.293 21.628 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 4.701 -51.843 21.755 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 6.206 -51.941 21.426 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 1.381 -52.058 17.588 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 1.476 -52.181 16.629 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 1.779 -51.172 17.750 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 3.308 -52.901 22.047 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 2.967 -53.319 21.228 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 2.591 -52.300 22.318 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 7.694 -52.892 21.050 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 7.623 -53.799 20.676 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 8.308 -52.996 21.804 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 7.732 -55.574 20.461 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 8.532 -56.059 20.193 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 7.074 -55.793 19.754 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 9.708 -57.402 19.514 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 9.214 -57.981 20.146 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 9.437 -57.724 18.637 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 15.059 -51.538 20.647 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 15.373 -52.450 20.500 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 14.210 -51.499 20.171 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 1.882 -53.611 19.754 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 1.726 -53.018 18.977 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 2.034 -54.479 19.358 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 -1.500 -47.356 23.059 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 -0.625 -46.932 22.992 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 -1.295 -48.313 23.153 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 -1.019 -47.777 26.428 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -0.444 -47.165 26.939 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 -0.394 -48.298 25.895 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 9.910 -47.609 23.248 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 10.805 -48.010 23.342 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 9.307 -48.377 23.273 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 -0.467 -49.996 19.572 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 -0.855 -50.296 18.731 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 -0.505 -49.029 19.521 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 12.246 -49.001 23.101 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 12.051 -49.945 22.945 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 13.188 -48.907 22.842 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 2.777 -35.945 -16.248 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 2.441 -36.732 -16.722 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 2.070 -35.737 -15.604 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 1.332 -35.663 -19.266 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 1.449 -36.436 -18.682 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 2.077 -35.078 -19.039 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 1.373 -37.922 -17.598 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 0.804 -37.956 -16.793 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 1.014 -38.641 -18.169 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 6.521 -40.259 -15.227 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 6.081 -40.033 -16.062 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 5.986 -39.800 -14.544 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 -0.277 -33.957 -16.526 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 0.310 -33.314 -16.968 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 -1.097 -33.934 -17.060 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 3.353 -34.004 -18.113 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 4.151 -33.486 -17.884 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 3.267 -34.646 -17.377 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 -3.000 -36.484 -16.986 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 -2.787 -35.561 -17.233 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 -2.501 -37.020 -17.628 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 6.751 -37.170 -11.632 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 6.287 -37.204 -10.782 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 6.298 -37.851 -12.179 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 3.434 -39.763 -17.874 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 2.877 -40.458 -18.262 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 2.820 -39.013 -17.745 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 0.580 -40.399 -18.406 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 0.693 -40.650 -17.463 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 -0.197 -40.901 -18.690 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 14.893 -46.744 -17.602 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 15.593 -46.818 -16.915 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 14.982 -45.848 -17.933 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 -1.305 -42.470 -17.022 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 -1.097 -43.171 -16.368 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 -2.279 -42.486 -17.089 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 8.545 -38.500 -17.494 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 8.846 -37.582 -17.654 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 7.630 -38.520 -17.852 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 -6.128 -46.114 -16.051 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 -5.956 -46.960 -15.568 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 -6.264 -46.391 -16.965 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 0.536 -35.701 -14.558 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 0.167 -35.019 -15.171 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 0.083 -36.532 -14.827 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 5.421 -32.579 -16.802 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 6.393 -32.713 -16.915 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 5.186 -33.181 -16.066 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 12.071 -49.866 -18.150 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 12.384 -49.288 -17.416 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 12.801 -49.865 -18.776 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 9.411 -32.669 -9.659 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 8.539 -33.063 -9.897 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 9.197 -31.740 -9.438 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 12.526 -35.583 -6.609 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 12.633 -36.293 -7.246 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 12.333 -34.793 -7.159 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 11.935 -33.702 -8.575 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 11.017 -33.397 -8.719 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 12.487 -32.998 -8.984 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 12.922 -35.516 -10.454 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 12.759 -35.001 -9.638 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 12.173 -35.275 -11.034 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 10.068 -39.241 -12.642 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 10.453 -40.040 -13.062 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 9.488 -38.868 -13.338 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 10.516 -41.585 -14.106 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 11.430 -41.934 -14.238 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 10.168 -41.472 -15.020 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 13.630 -43.054 -10.514 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 13.959 -42.739 -11.368 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 13.872 -44.001 -10.502 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 14.171 -44.914 -13.573 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 14.235 -45.104 -12.606 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 14.078 -45.801 -13.981 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 10.827 -34.051 -11.615 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 10.423 -33.476 -10.930 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 10.232 -34.829 -11.651 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 9.095 -41.040 -16.393 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 8.191 -41.005 -16.046 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 9.141 -40.289 -17.012 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 10.310 -41.060 -10.560 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 10.280 -40.234 -11.079 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 9.867 -41.715 -11.133 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.881 -38.543 -18.265 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 5.629 -37.861 -18.895 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 5.061 -39.069 -18.139 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 -2.586 -39.468 -14.413 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 -3.258 -39.969 -13.916 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 -1.741 -39.685 -13.952 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 4.324 -41.379 -11.848 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 4.206 -41.705 -10.924 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 3.404 -41.181 -12.151 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.323 -48.721 -14.977 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.586 -49.375 -15.668 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 6.600 -47.873 -15.339 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 2.662 -35.651 -12.771 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 1.880 -35.781 -13.347 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 2.678 -36.435 -12.208 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 16.739 -44.211 -14.204 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 16.967 -43.267 -14.056 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 15.767 -44.252 -14.040 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 16.624 -43.675 -10.880 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 15.967 -44.409 -10.866 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 16.154 -42.947 -11.327 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 6.913 -33.464 -10.518 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 6.915 -33.880 -11.411 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 5.981 -33.495 -10.247 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 18.779 -41.246 -11.244 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 18.051 -40.681 -10.913 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 19.512 -41.063 -10.633 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 12.740 -32.848 -13.230 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 13.478 -33.475 -13.058 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 12.003 -33.190 -12.673 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 9.484 -35.824 -17.175 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 10.203 -35.264 -17.490 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 9.603 -35.840 -16.201 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 14.830 -37.488 -11.144 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 14.159 -36.870 -10.793 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 14.363 -38.348 -11.189 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 8.041 -33.329 -16.923 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 8.804 -33.094 -16.351 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 8.209 -34.253 -17.168 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 4.795 -34.599 -14.978 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 4.284 -34.471 -14.162 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 4.276 -35.261 -15.480 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 6.648 -34.659 -12.915 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.237 -34.683 -13.800 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 6.680 -35.597 -12.637 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 0.859 -41.162 -15.816 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 0.137 -41.768 -16.070 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 0.668 -40.944 -14.876 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 10.285 -33.393 -15.286 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 10.094 -34.238 -14.832 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 11.066 -33.050 -14.833 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 9.478 -36.495 -11.731 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 9.854 -37.391 -11.823 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 8.520 -36.654 -11.582 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 -0.290 -38.156 -15.399 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 -0.034 -38.865 -14.766 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 -1.255 -38.257 -15.483 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 8.548 -38.410 -14.763 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 7.860 -39.088 -14.625 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 8.710 -38.435 -15.731 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 3.504 -39.767 -14.939 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 2.838 -40.229 -14.376 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 3.269 -40.027 -15.845 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 5.270 -39.074 -12.998 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 5.040 -39.802 -12.379 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 4.518 -39.055 -13.630 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 15.742 -28.610 -6.984 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 15.014 -29.252 -7.129 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 16.521 -29.178 -6.818 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 13.839 -40.058 -10.834 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 14.257 -40.016 -9.951 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 13.133 -40.720 -10.731 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 16.919 -39.262 -10.266 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 16.416 -38.546 -10.704 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 16.388 -39.467 -9.467 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 19.849 -33.003 -6.403 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 19.425 -33.568 -7.055 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 19.822 -33.528 -5.577 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 15.259 -41.773 -12.491 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 16.060 -41.450 -12.950 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 14.934 -40.992 -11.992 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 13.078 -42.511 -14.216 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 13.776 -42.029 -13.749 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 13.318 -43.453 -14.095 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 16.639 -46.696 -15.487 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 16.756 -45.805 -15.106 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 17.545 -47.087 -15.465 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 19.239 -47.414 -15.100 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 19.608 -46.523 -14.938 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 19.425 -47.903 -14.279 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 14.202 -30.838 -7.405 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 13.986 -31.207 -8.285 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 13.349 -30.870 -6.918 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 -4.579 -43.740 -5.629 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 -4.761 -43.823 -6.593 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 -3.727 -43.277 -5.586 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 2.876 -47.681 -9.812 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 2.361 -47.431 -10.592 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 3.200 -46.836 -9.462 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 3.865 -47.940 -13.710 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 4.729 -48.145 -14.115 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 3.485 -48.802 -13.520 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 13.228 -48.387 -16.230 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 13.515 -48.115 -15.330 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 13.758 -47.813 -16.831 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 2.684 -43.413 -13.589 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 3.601 -43.160 -13.749 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 2.235 -42.561 -13.382 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 8.792 -42.611 -12.275 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 9.410 -42.343 -12.995 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 7.910 -42.615 -12.708 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 14.669 -34.713 -12.392 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 15.177 -35.518 -12.565 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 14.122 -34.940 -11.613 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 14.082 -49.204 17.364 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 14.491 -48.376 17.030 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 13.760 -48.965 18.253 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 17.268 -45.960 15.001 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 17.757 -45.640 14.206 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 17.974 -46.219 15.629 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 7.775 -43.066 27.775 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 8.243 -43.907 27.921 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 8.032 -42.806 26.859 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 1.218 -35.579 23.786 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 1.666 -36.393 24.098 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 0.465 -35.901 23.276 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 9.089 -35.655 28.631 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 8.186 -35.495 28.268 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 9.251 -36.609 28.447 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 6.902 -38.324 27.639 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 6.501 -39.219 27.720 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 7.712 -38.377 28.180 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 8.750 -32.639 25.755 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 7.893 -32.490 26.180 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 8.659 -33.528 25.332 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 8.116 -37.902 25.230 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 7.690 -38.137 26.084 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 8.268 -38.768 24.790 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 2.612 -40.635 25.776 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 3.475 -41.068 25.669 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 2.347 -40.397 24.855 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 9.571 -44.822 24.315 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 9.702 -45.663 23.836 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 10.111 -44.170 23.810 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 3.048 -43.104 23.873 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 3.476 -43.282 23.002 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 2.293 -42.494 23.646 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 10.694 -36.883 25.342 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 9.856 -37.378 25.445 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 11.330 -37.556 25.000 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 3.628 -43.419 27.549 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 3.596 -42.728 28.253 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 4.157 -43.009 26.841 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 11.789 -35.362 29.200 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 11.658 -34.419 29.415 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 10.885 -35.687 29.019 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 8.769 -35.003 24.434 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 9.366 -35.644 24.871 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 8.474 -35.463 23.640 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.662 -37.668 24.002 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 6.533 -37.522 24.425 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 5.674 -38.617 23.755 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 6.075 -40.921 27.749 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 6.757 -41.602 27.946 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 5.718 -41.189 26.876 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 10.071 -33.205 29.406 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 9.603 -34.024 29.122 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 9.513 -32.844 30.104 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 9.871 -30.697 24.193 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 9.255 -30.537 23.446 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 9.408 -31.372 24.738 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 16.070 -44.687 18.464 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 16.412 -43.774 18.524 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 16.714 -45.213 18.986 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 -1.474 -35.738 26.393 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 -1.356 -36.704 26.494 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 -2.311 -35.554 26.833 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 3.259 -46.017 28.468 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 3.497 -45.141 28.091 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 3.467 -45.936 29.404 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 3.835 -41.384 29.302 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 3.427 -40.582 29.639 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 4.668 -41.076 28.890 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 6.139 -40.434 23.449 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 7.122 -40.437 23.439 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 5.889 -40.663 22.527 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 6.075 -45.072 26.678 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 6.078 -44.191 27.082 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 7.028 -45.322 26.646 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 4.983 -41.976 25.419 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 4.381 -42.499 24.843 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 5.501 -41.427 24.782 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 1.591 -38.438 26.920 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 1.907 -39.354 26.748 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 2.024 -37.911 26.230 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 13.350 -40.950 21.819 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 12.489 -40.494 21.950 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 13.101 -41.847 21.538 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 9.644 -38.263 28.331 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 10.423 -38.428 28.873 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 9.738 -38.896 27.577 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 2.944 -37.563 24.520 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 2.583 -38.352 24.029 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 3.914 -37.629 24.391 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 16.472 -32.266 19.640 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 16.045 -32.944 20.210 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 17.346 -32.656 19.420 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 5.609 -40.908 20.541 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 4.967 -41.233 19.876 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 6.457 -41.328 20.285 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 8.503 -42.383 25.273 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 8.779 -43.214 24.830 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 8.641 -41.691 24.590 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 9.830 -40.088 26.339 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 9.740 -39.999 25.366 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 9.630 -41.022 26.505 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 14.990 -34.198 25.937 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 15.634 -33.992 26.659 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 14.418 -34.895 26.319 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 0.995 -48.886 24.613 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 1.043 -48.103 24.024 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 1.924 -49.099 24.795 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 -1.156 -31.984 27.187 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 -2.065 -32.291 26.990 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 -0.585 -32.533 26.600 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 13.917 -35.100 30.923 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 13.263 -35.313 30.227 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 13.779 -35.775 31.592 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 12.654 -35.447 26.596 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 12.414 -35.468 27.546 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 11.993 -36.038 26.170 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 12.439 -38.712 24.275 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 11.853 -39.294 23.731 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 13.309 -39.124 24.207 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 20.697 -37.703 24.141 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 20.627 -37.944 23.193 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 21.495 -37.149 24.185 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 12.851 -37.744 21.543 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 12.408 -38.021 22.357 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 12.371 -38.227 20.831 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 10.797 -42.688 23.152 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 11.488 -42.959 22.520 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 10.687 -41.723 22.991 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 -0.603 -41.401 25.620 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 -0.058 -41.440 24.798 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 -0.078 -41.899 26.268 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 12.624 -43.710 21.383 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 12.111 -44.524 21.626 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 12.931 -43.894 20.467 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 11.474 -46.127 21.607 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 11.999 -46.832 21.204 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 10.778 -46.602 22.106 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 0.642 -45.957 27.524 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 0.797 -45.176 26.957 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 1.516 -46.144 27.916 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 -3.170 -40.992 24.673 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 -2.308 -41.093 25.126 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 -3.617 -40.281 25.163 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 16.948 -45.527 22.474 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 16.628 -46.170 23.114 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 16.312 -44.777 22.546 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 0.174 -33.732 25.559 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 0.684 -34.173 24.851 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 -0.396 -34.448 25.917 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 4.330 -35.163 25.869 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 4.176 -35.044 24.915 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 3.769 -35.915 26.106 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 6.637 -35.527 27.438 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 6.546 -36.499 27.490 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 5.870 -35.244 26.904 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 8.689 -45.706 26.731 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 9.168 -45.333 25.958 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 8.526 -46.640 26.479 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 5.085 -47.625 27.050 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 5.566 -46.785 26.915 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 4.269 -47.355 27.512 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 4.745 -45.748 24.392 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 4.205 -44.986 24.135 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 5.196 -45.457 25.215 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 6.872 -49.151 20.892 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 6.763 -48.401 21.527 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 6.251 -49.843 21.228 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 6.014 -18.769 -21.403 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 5.647 -18.625 -22.299 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 6.973 -18.869 -21.551 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 1.099 -17.630 -26.029 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.900 -17.085 -26.819 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 1.916 -17.245 -25.676 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 8.099 -13.688 -26.872 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 7.527 -12.909 -27.013 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 8.562 -13.493 -26.034 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 6.675 -14.342 -23.836 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 7.024 -15.255 -23.856 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 7.436 -13.790 -24.090 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 5.011 -18.162 -23.900 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 4.690 -18.951 -24.357 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 4.339 -17.472 -24.114 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 10.533 -17.620 -26.451 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 11.384 -17.262 -26.779 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 9.856 -17.215 -27.045 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 12.573 -19.368 -19.730 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 12.883 -19.493 -20.662 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 13.105 -20.014 -19.218 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 3.087 -16.305 -24.458 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 2.990 -15.540 -25.074 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 2.359 -16.184 -23.811 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 4.064 -23.816 -22.285 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 4.751 -24.411 -21.974 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 3.687 -23.430 -21.459 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 9.212 -13.331 -24.347 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 9.437 -13.120 -23.422 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 9.603 -14.221 -24.488 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 2.857 -22.237 -24.137 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 3.058 -22.614 -24.997 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 3.327 -22.827 -23.500 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 0.115 -18.570 -23.635 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 0.328 -18.344 -24.570 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 0.397 -19.503 -23.543 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 11.542 -21.662 -17.291 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 12.360 -21.600 -17.831 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 11.428 -22.629 -17.149 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 1.034 -16.217 -22.569 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 1.281 -16.489 -21.651 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 0.598 -17.016 -22.943 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 5.597 -24.145 -14.536 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 4.905 -24.453 -15.163 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 5.107 -23.957 -13.712 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 6.377 -19.481 -17.565 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 5.568 -19.516 -18.117 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 6.915 -18.783 -17.976 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 13.381 -13.244 -22.396 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 14.113 -12.649 -22.206 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 12.995 -13.439 -21.517 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 1.833 -17.265 -20.212 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 2.174 -17.083 -19.312 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 1.803 -18.241 -20.263 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 4.073 -20.153 -13.710 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 4.831 -20.377 -14.291 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 4.447 -19.514 -13.066 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 7.513 -16.930 -23.668 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 7.943 -17.600 -23.098 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 6.671 -17.354 -23.938 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 12.661 -15.140 -24.248 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 12.943 -14.384 -23.681 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 11.688 -15.175 -24.135 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 -0.844 -26.913 -20.868 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 -0.468 -26.659 -19.994 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 -0.081 -27.219 -21.373 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 0.458 -13.563 -22.956 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 1.354 -13.220 -23.177 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 0.606 -14.522 -22.791 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 1.803 -20.060 -20.423 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 1.524 -20.322 -21.328 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 1.015 -20.262 -19.865 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 8.803 -18.644 -21.974 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 9.475 -18.868 -22.669 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 9.160 -19.052 -21.157 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 0.808 -21.109 -22.808 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 0.251 -21.891 -22.698 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 1.577 -21.437 -23.337 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 2.976 -22.635 -20.073 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 2.763 -22.853 -19.140 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 2.674 -21.718 -20.175 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 3.525 -24.803 -16.337 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 3.119 -25.574 -16.769 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 3.078 -24.036 -16.751 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 4.280 -19.206 -19.361 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 4.924 -19.145 -20.106 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 3.511 -19.671 -19.747 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 11.291 -19.024 -16.593 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 11.558 -19.839 -17.060 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 11.453 -18.321 -17.232 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 9.844 -19.389 -19.478 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 9.719 -20.212 -18.984 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 10.821 -19.328 -19.596 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 0.172 -26.341 -18.384 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 -0.371 -26.996 -17.891 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 1.099 -26.578 -18.157 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 6.076 -21.063 -15.339 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 6.205 -20.529 -16.157 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 5.807 -21.934 -15.663 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 11.794 -24.395 -16.965 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 12.295 -24.969 -17.588 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 11.179 -25.017 -16.515 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 10.504 -26.566 -15.910 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 10.110 -27.059 -16.636 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 11.060 -27.234 -15.441 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 2.679 -27.251 -17.750 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 2.230 -28.121 -17.895 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 3.602 -27.489 -17.599 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 4.429 -30.256 -17.885 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 5.142 -30.210 -18.526 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 4.650 -31.044 -17.338 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 0.741 -15.761 -28.159 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 1.144 -15.695 -29.031 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 0.563 -14.836 -27.907 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 13.445 -19.671 -22.267 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 13.514 -18.976 -22.956 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 13.548 -20.496 -22.755 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 10.600 -18.876 -24.004 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 10.343 -18.676 -24.929 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 11.533 -18.601 -23.957 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 -0.616 -23.696 -18.718 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 -0.294 -24.592 -18.473 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 -1.193 -23.859 -19.500 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 9.979 -15.897 -24.394 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.199 -16.512 -25.127 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 9.108 -16.213 -24.076 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 6.160 -10.554 -22.580 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 5.829 -10.910 -23.437 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 7.092 -10.873 -22.528 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 12.948 -16.281 -26.772 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 12.907 -15.717 -25.972 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 13.232 -15.682 -27.470 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 8.669 -16.194 -27.812 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 8.497 -15.282 -27.480 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 7.978 -16.340 -28.462 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 -1.435 -13.758 -29.424 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 -1.760 -14.653 -29.283 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 -0.987 -13.531 -28.589 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 4.064 -12.873 -27.853 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 3.801 -11.991 -27.512 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 4.781 -12.685 -28.464 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 2.988 -12.864 -23.836 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 2.825 -13.320 -24.689 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 3.726 -12.250 -24.035 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 1.737 -29.751 -18.098 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 1.275 -30.609 -18.190 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 2.685 -29.998 -18.042 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 11.916 -28.484 -14.635 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 12.682 -28.191 -14.116 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 12.167 -29.387 -14.941 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 13.220 -17.804 -24.232 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 13.467 -17.934 -25.162 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 13.096 -16.831 -24.155 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 8.748 -20.934 -7.792 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 8.895 -20.325 -7.042 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 7.893 -21.363 -7.591 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 1.966 -23.108 -5.863 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 2.141 -22.875 -4.925 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 2.681 -23.746 -6.090 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 10.100 -18.597 -10.945 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 10.222 -19.472 -10.512 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 10.816 -18.059 -10.590 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 7.738 -12.764 -12.712 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 8.382 -13.285 -13.231 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 8.213 -12.545 -11.889 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 6.363 -22.182 -7.099 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 6.581 -23.154 -7.070 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 5.399 -22.162 -7.138 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 16.687 -26.671 -5.190 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 17.595 -26.945 -5.413 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 16.126 -27.243 -5.753 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 14.939 -26.447 -2.978 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 15.595 -26.467 -3.708 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 14.608 -27.367 -2.933 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 5.126 -18.590 -11.708 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 5.996 -18.156 -11.561 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 4.901 -18.974 -10.846 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.011 -16.074 -6.602 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 3.058 -16.566 -5.755 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 3.415 -16.686 -7.257 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 9.684 -14.168 -13.987 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 10.392 -13.921 -13.351 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 10.036 -14.944 -14.441 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 7.599 -17.460 -11.359 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 8.457 -17.911 -11.192 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 7.844 -16.545 -11.526 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 11.427 -17.778 -4.690 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 11.316 -17.390 -3.804 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 12.169 -18.417 -4.578 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 12.822 -24.702 -2.188 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 13.031 -24.499 -1.249 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 13.599 -25.211 -2.501 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 9.116 -19.262 -5.547 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 8.672 -18.626 -4.951 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 10.055 -18.994 -5.520 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 7.111 -18.534 -1.378 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 7.349 -19.442 -1.085 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 7.039 -18.029 -0.535 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 1.184 -19.319 -4.417 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 1.835 -18.598 -4.302 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 1.621 -20.094 -4.053 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 3.081 -17.337 -4.157 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 3.215 -16.455 -3.742 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 3.837 -17.877 -3.825 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 12.988 -30.904 -15.180 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 12.927 -31.710 -14.634 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 13.951 -30.745 -15.267 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 10.105 -16.781 -2.386 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 9.322 -16.744 -2.967 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 10.225 -15.849 -2.088 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 9.434 -16.153 -20.807 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 10.398 -16.310 -20.719 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.120 -16.904 -21.342 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 5.900 -16.374 -17.243 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 6.166 -16.553 -16.335 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 6.657 -16.693 -17.779 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 10.511 -26.169 -1.753 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 10.289 -25.674 -0.941 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 11.329 -25.744 -2.069 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 12.177 -16.746 -20.756 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 12.403 -17.593 -20.321 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 12.610 -16.801 -21.621 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 3.829 -25.003 -6.471 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 4.529 -25.156 -7.151 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 3.942 -25.730 -5.854 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 0.457 -26.468 -10.044 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 1.232 -25.909 -10.250 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 -0.188 -25.843 -9.650 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 5.251 -18.813 -3.389 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 5.825 -18.818 -2.598 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 5.680 -19.453 -3.999 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 13.258 -19.680 -3.883 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 12.914 -20.560 -3.639 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 14.212 -19.732 -3.672 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 10.008 -19.538 -2.620 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.735 -19.902 -2.077 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 10.101 -18.572 -2.524 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 2.727 -22.703 -3.190 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 3.682 -22.669 -2.977 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 2.363 -23.348 -2.548 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 9.165 -22.477 -1.562 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 8.707 -21.739 -1.107 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 9.341 -22.132 -2.459 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 10.111 -18.591 0.446 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 10.011 -17.939 -0.266 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 9.706 -18.159 1.227 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 15.556 -23.401 -19.813 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.428 -23.625 -20.147 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 15.641 -23.486 -18.841 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 18.038 -21.796 -2.579 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 19.013 -21.896 -2.506 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 17.739 -22.659 -2.943 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 12.548 -14.494 -14.786 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 13.258 -15.097 -14.544 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 12.353 -14.009 -13.956 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 10.588 -21.045 -9.780 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 9.922 -21.072 -9.048 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 11.235 -21.743 -9.540 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 1.815 -23.366 -12.816 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 1.799 -23.993 -12.059 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 2.769 -23.187 -12.945 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 7.844 -17.440 -3.900 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 7.742 -17.937 -3.058 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 6.957 -17.081 -4.069 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 9.821 -21.784 -4.203 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 9.632 -20.830 -4.105 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 10.736 -21.881 -3.851 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 11.902 -13.467 -17.270 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 12.033 -14.015 -16.465 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 12.528 -12.743 -17.164 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 13.045 -23.645 -12.985 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 13.292 -24.033 -13.842 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 13.797 -23.861 -12.399 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 9.741 -24.061 -8.208 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 9.097 -24.058 -8.949 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 10.577 -23.778 -8.621 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 6.169 -15.502 -2.102 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 6.684 -14.978 -1.463 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 6.194 -16.399 -1.747 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 8.984 -17.618 2.813 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 8.638 -17.831 3.708 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 9.895 -17.278 2.989 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 12.174 -14.025 -20.025 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 12.264 -14.998 -20.099 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 11.986 -13.874 -19.073 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -0.082 -18.324 0.105 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -0.270 -19.273 -0.009 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -0.779 -18.011 0.716 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 3.371 -17.028 -17.955 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 3.586 -17.959 -18.177 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 4.127 -16.735 -17.407 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 7.000 -17.183 0.959 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 6.244 -16.757 1.421 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 7.634 -17.395 1.682 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 11.910 -20.279 -0.764 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 11.281 -19.711 -0.269 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 12.718 -20.249 -0.237 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 1.907 -24.590 -1.345 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 2.498 -24.795 -0.583 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 1.700 -25.456 -1.726 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 4.058 -18.156 -7.974 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 4.683 -18.531 -7.345 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 3.943 -18.855 -8.643 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 10.683 -24.138 0.110 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 10.235 -23.416 -0.374 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 11.584 -23.801 0.266 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 15.632 -23.230 -17.053 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 15.045 -23.836 -16.559 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 16.358 -23.055 -16.440 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 6.725 -20.501 -4.923 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 6.570 -21.180 -5.609 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 7.617 -20.157 -5.127 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 12.181 -22.069 -2.865 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 12.125 -21.604 -2.002 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 12.432 -22.986 -2.627 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 6.162 -25.503 1.138 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 6.466 -26.422 1.159 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 6.556 -25.142 0.305 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 6.759 -24.576 -4.014 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 6.488 -24.705 -4.954 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 6.090 -23.958 -3.656 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 3.405 -25.036 0.888 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 3.337 -24.190 1.386 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 4.349 -25.282 0.964 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 13.580 -23.876 0.314 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 13.781 -23.611 1.240 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 14.461 -24.063 -0.074 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 14.013 -24.824 -15.404 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 14.191 -25.772 -15.593 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 13.210 -24.622 -15.936 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 16.356 -24.611 -13.986 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 16.056 -24.348 -13.093 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 15.537 -24.621 -14.518 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 13.933 -21.522 -18.613 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 14.525 -21.824 -17.897 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 14.233 -22.032 -19.393 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 13.400 -26.431 -17.939 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 13.756 -26.818 -18.744 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 13.760 -26.991 -17.223 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 16.008 -20.103 -3.460 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 16.674 -20.755 -3.157 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 16.415 -19.693 -4.229 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 15.866 -24.607 -1.055 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 16.272 -24.055 -1.745 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 15.644 -25.438 -1.520 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 14.637 -27.557 -15.635 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 14.550 -27.521 -14.659 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 14.972 -28.459 -15.807 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 12.084 -23.319 -9.583 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 12.796 -23.609 -8.963 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 12.268 -23.808 -10.399 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 1.593 -27.118 0.850 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 2.321 -26.467 0.910 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 1.380 -27.321 1.784 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 -1.096 -24.507 -9.013 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 -1.675 -24.323 -9.781 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 -0.651 -23.646 -8.833 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 15.662 -30.221 -15.290 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 16.132 -29.962 -14.461 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 16.300 -30.767 -15.761 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 3.160 -27.634 -11.388 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 2.335 -28.157 -11.316 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 3.592 -27.980 -12.172 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 11.710 -13.383 -12.346 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 11.528 -12.423 -12.243 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 11.833 -13.700 -11.420 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 1.278 -14.051 -6.524 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 1.518 -13.482 -5.771 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 2.004 -14.712 -6.562 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 2.299 -12.882 -4.280 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 2.920 -13.560 -3.922 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 1.511 -12.953 -3.701 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 10.577 -13.394 -5.525 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 10.239 -14.318 -5.475 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 10.425 -13.037 -4.644 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 9.571 -15.930 -5.632 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 10.341 -16.533 -5.543 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 8.845 -16.409 -5.196 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 13.492 -31.858 -9.855 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 14.385 -32.036 -10.222 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 13.133 -31.172 -10.440 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 -0.178 -23.695 15.166 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 0.450 -23.418 15.871 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 -0.869 -23.007 15.181 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 16.335 -18.995 7.480 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 16.004 -19.805 7.045 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 15.837 -18.273 7.042 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 5.159 -18.747 8.827 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 4.890 -19.646 9.125 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 5.111 -18.207 9.642 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 0.447 -25.416 6.662 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 1.051 -25.583 5.911 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 0.896 -24.742 7.180 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 4.234 -20.991 10.120 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 4.478 -21.517 10.898 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 3.509 -21.505 9.708 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 10.654 -20.041 6.027 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 10.830 -20.967 5.820 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 11.412 -19.778 6.592 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 11.368 -21.899 8.567 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 11.948 -21.181 8.241 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 11.638 -22.672 8.060 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 9.078 -19.615 10.831 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 8.633 -18.852 11.236 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 10.000 -19.319 10.722 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 5.082 -17.795 11.453 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 5.206 -17.380 12.341 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 4.902 -18.722 11.651 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 18.484 -19.351 9.077 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 18.465 -18.575 9.650 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 17.788 -19.165 8.399 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 13.334 -17.799 9.268 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 12.553 -17.943 9.860 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 13.475 -16.845 9.293 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 12.924 -19.843 7.518 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 13.775 -20.157 7.144 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 13.184 -19.134 8.149 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 14.849 -17.546 13.100 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 15.732 -17.792 13.460 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 14.608 -16.732 13.586 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 7.515 -20.909 -0.011 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 8.019 -20.647 0.773 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 6.863 -21.568 0.336 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 8.197 -14.533 10.859 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 7.256 -14.714 10.667 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 8.173 -13.916 11.619 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 15.037 -19.207 10.907 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 15.024 -18.524 11.613 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 14.485 -18.821 10.195 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 0.440 -20.751 13.202 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 0.786 -21.665 13.081 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 1.181 -20.267 13.585 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 8.505 -18.490 5.372 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 9.328 -18.923 5.703 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 8.118 -18.073 6.165 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 3.303 -22.809 4.936 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 3.862 -23.422 5.482 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 3.048 -22.112 5.552 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.991 -18.119 3.289 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.642 -19.037 3.310 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 14.762 -18.172 2.676 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 -1.725 -21.451 14.735 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 -0.974 -20.988 14.311 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 -2.315 -20.722 15.043 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 6.975 -15.268 16.333 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 6.541 -15.408 17.183 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 7.267 -14.329 16.364 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 6.896 -15.588 5.089 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 7.121 -16.089 5.896 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 5.922 -15.654 5.032 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 7.024 -17.183 7.436 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 6.423 -17.794 7.918 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 7.326 -16.565 8.118 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 2.414 -25.424 4.627 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 3.319 -25.761 4.467 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 2.514 -24.453 4.583 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -3.073 -25.723 4.675 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 -2.397 -25.650 3.967 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -3.910 -25.720 4.204 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 8.604 -24.909 10.506 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 8.603 -24.867 11.486 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 8.756 -23.986 10.229 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 5.132 -25.722 3.827 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 5.750 -25.268 4.445 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 5.543 -25.608 2.953 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 9.106 -16.875 11.960 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 8.828 -16.069 11.470 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 9.050 -16.611 12.902 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 3.783 -23.141 12.073 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 4.362 -23.479 12.767 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 2.880 -23.193 12.467 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 7.888 -24.905 21.577 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 8.852 -24.761 21.691 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 7.478 -24.129 22.015 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 10.984 -14.339 15.961 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 10.173 -13.813 16.026 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 11.642 -13.820 16.484 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 16.558 -18.206 18.307 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 15.579 -18.110 18.189 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 16.910 -17.346 18.051 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 13.048 -20.669 3.508 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 12.210 -20.664 2.983 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 12.800 -21.114 4.346 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 15.521 -20.828 13.080 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 15.163 -20.404 12.276 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.085 -20.137 13.479 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 4.427 -18.658 6.120 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 5.246 -18.188 5.919 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 4.446 -18.760 7.093 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 3.427 -22.615 2.212 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 3.382 -22.667 3.194 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 2.928 -21.798 1.993 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 7.977 -13.389 13.396 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.158 -12.719 14.075 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.400 -14.202 13.744 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 4.179 -15.907 4.734 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 3.584 -15.549 5.405 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 3.720 -16.715 4.414 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 11.391 -18.050 11.097 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 10.599 -17.511 11.319 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 11.770 -18.285 11.973 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 14.482 -22.914 2.698 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 14.104 -22.028 2.859 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 15.452 -22.782 2.786 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 0.024 -12.803 18.496 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 -0.540 -12.722 17.703 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 -0.522 -12.458 19.212 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 7.888 -14.758 0.101 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 7.662 -15.681 0.339 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 7.879 -14.287 0.958 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 3.064 -18.217 3.641 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 2.717 -18.983 3.155 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 3.424 -18.600 4.469 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 1.993 -20.328 1.575 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 2.160 -19.577 0.990 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 1.183 -20.733 1.212 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 7.595 -14.114 2.858 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 7.872 -13.270 3.233 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 7.543 -14.716 3.638 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 9.446 -21.986 12.630 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 9.224 -21.856 11.691 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 9.859 -21.157 12.890 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 5.246 -15.494 2.243 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 5.989 -14.866 2.354 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 4.903 -15.620 3.152 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 2.555 -15.851 1.609 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 2.410 -16.621 2.183 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 3.516 -15.668 1.697 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 -1.339 -25.757 2.497 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 -0.975 -25.089 1.896 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 -1.578 -26.506 1.907 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 9.915 -14.186 -1.628 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 9.118 -14.333 -1.070 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 10.316 -13.394 -1.260 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 12.310 -12.481 17.463 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 13.050 -11.896 17.281 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 11.864 -12.071 18.236 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 11.510 -16.880 3.468 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 12.363 -17.324 3.275 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 11.759 -16.101 3.974 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 5.419 -22.686 -2.464 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 5.904 -23.133 -1.743 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 5.717 -21.770 -2.417 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 10.636 -20.669 2.250 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 9.781 -20.752 2.731 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 10.459 -19.994 1.568 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 12.368 -18.529 13.587 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 13.301 -18.269 13.405 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 12.444 -19.246 14.226 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 5.933 -22.727 1.169 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 5.028 -22.612 1.530 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 6.112 -23.680 1.275 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 8.625 -24.498 13.211 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 8.556 -24.567 14.165 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 8.950 -23.580 13.058 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 7.273 -24.436 -1.155 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 8.065 -23.854 -1.197 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 7.202 -24.803 -2.056 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 4.562 -25.005 19.693 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 3.872 -24.536 19.214 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 4.199 -25.100 20.608 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 8.922 -22.149 9.672 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 9.830 -22.145 9.284 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 8.777 -21.217 9.940 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 10.542 -24.463 22.091 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 11.111 -25.211 21.816 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 11.144 -23.691 22.080 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 -0.051 -14.879 0.939 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 0.803 -15.190 1.303 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 -0.698 -15.557 1.231 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 13.693 -21.938 24.904 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 13.508 -21.380 25.666 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 14.029 -21.311 24.221 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 18.811 -20.171 12.073 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 19.583 -20.292 11.510 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 18.095 -20.634 11.600 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 12.947 -15.890 14.511 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 12.306 -15.319 14.972 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 12.430 -16.668 14.250 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 1.213 -23.348 12.880 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.647 -23.648 12.138 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.741 -23.669 13.689 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 15.962 -26.626 18.963 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 16.756 -27.184 18.790 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 15.225 -27.130 18.570 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 19.050 -33.086 19.096 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 19.451 -32.455 18.465 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 19.421 -33.956 18.831 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 13.796 -28.019 17.827 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 13.619 -28.165 18.784 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 12.932 -28.182 17.403 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 0.586 -29.960 4.493 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 0.042 -29.708 5.273 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 0.849 -29.102 4.101 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 5.426 -16.539 13.875 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 5.294 -15.606 13.606 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 5.884 -16.476 14.724 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 7.105 -13.566 20.279 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 6.378 -14.028 19.826 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 6.690 -12.757 20.622 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 9.665 -12.819 21.207 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 10.165 -12.371 20.497 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 8.855 -13.143 20.764 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -0.526 -10.459 14.599 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 -1.270 -9.844 14.578 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 -0.845 -11.201 15.153 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 2.510 -11.642 10.760 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 1.767 -11.810 10.172 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 3.284 -12.023 10.282 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 5.544 -15.230 10.527 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 5.356 -16.179 10.689 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 5.343 -14.798 11.388 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 5.366 -13.976 12.929 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 6.287 -13.693 13.124 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 4.828 -13.168 13.096 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 0.834 -27.339 3.484 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 1.455 -26.733 3.949 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 -0.001 -26.834 3.442 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 14.472 -17.624 5.986 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 13.569 -17.724 6.308 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 14.383 -17.640 5.011 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 2.449 -14.314 -0.730 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 2.476 -14.923 0.035 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 2.082 -13.502 -0.371 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 6.762 -19.750 25.265 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 6.711 -20.224 24.424 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 6.766 -20.460 25.941 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 6.690 -21.894 27.025 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 7.249 -22.439 26.427 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 6.653 -22.414 27.855 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 4.249 -20.864 27.950 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 4.076 -21.625 28.540 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 5.114 -21.073 27.539 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 -0.327 -21.125 25.680 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 0.600 -21.371 25.911 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 -0.363 -21.229 24.707 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 4.400 -27.852 26.210 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 4.008 -27.166 25.655 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 4.501 -28.620 25.611 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 10.250 -29.371 26.501 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 10.789 -30.006 26.999 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 10.231 -29.736 25.591 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 3.635 -20.078 24.485 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 4.108 -19.325 24.898 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 4.232 -20.361 23.750 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 4.676 -15.541 23.736 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 3.822 -15.156 24.017 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 5.190 -14.770 23.424 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 3.751 -23.365 28.981 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 3.625 -23.831 28.120 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 4.692 -23.523 29.200 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 5.081 -30.167 24.825 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 4.672 -30.954 25.260 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 5.964 -30.093 25.247 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 10.726 -24.590 24.850 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 10.486 -24.677 23.904 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 10.361 -25.407 25.270 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 4.886 -17.805 25.467 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 5.723 -18.323 25.396 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 5.064 -16.989 24.959 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 3.424 -18.257 27.735 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 3.891 -17.962 26.924 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 3.772 -19.161 27.895 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 3.486 -24.208 26.413 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 2.926 -23.435 26.208 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 4.005 -24.350 25.591 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 12.372 -26.473 21.819 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 13.155 -25.877 21.804 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 12.630 -27.221 21.228 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 6.668 -16.462 20.588 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 7.223 -15.709 20.840 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 5.888 -16.052 20.172 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 12.686 -30.138 24.288 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 11.743 -30.188 24.040 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 12.836 -29.180 24.464 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 2.281 -21.704 26.162 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 2.788 -21.400 26.942 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 2.718 -21.249 25.407 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.915 -17.746 28.587 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 0.445 -18.606 28.599 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 1.817 -17.972 28.246 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 5.483 -12.929 22.908 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 5.052 -12.673 22.066 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 6.227 -12.297 22.994 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -1.832 -14.619 25.386 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -2.178 -15.410 24.926 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -1.211 -14.988 26.054 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 13.915 -17.639 18.298 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 13.284 -17.011 17.928 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 13.503 -17.922 19.148 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 9.608 -12.016 23.766 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 9.436 -12.852 24.212 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 9.709 -12.268 22.812 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 3.951 -32.413 25.864 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 4.175 -33.337 26.086 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 2.999 -32.431 25.707 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 12.835 -22.862 22.328 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 12.920 -22.663 23.279 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 13.504 -23.565 22.169 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 8.407 -25.257 28.825 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 7.993 -26.012 28.355 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 9.351 -25.388 28.695 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 6.742 -25.769 24.976 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 6.977 -26.444 24.303 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 5.938 -25.323 24.600 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 9.650 -26.740 26.071 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 8.711 -26.773 26.332 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 9.996 -27.625 26.316 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 6.518 -23.397 29.336 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 6.847 -23.068 30.179 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 7.141 -24.127 29.104 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 5.018 -27.869 28.860 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 4.643 -27.932 27.951 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 4.265 -28.011 29.436 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 8.184 -23.500 25.401 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 7.730 -24.373 25.356 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 9.134 -23.722 25.341 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 6.793 -22.912 23.122 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 5.987 -23.410 23.414 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 7.379 -22.930 23.906 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 12.833 -27.378 24.417 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 12.794 -27.099 23.483 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 13.177 -26.593 24.884 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 1.503 -18.664 23.646 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 1.407 -17.872 24.231 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 2.119 -19.253 24.134 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 5.408 -20.638 22.537 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 6.023 -20.033 22.059 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 5.891 -21.492 22.569 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 0.979 -22.676 29.227 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 0.651 -23.355 29.854 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 1.938 -22.863 29.153 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 1.263 -16.248 24.863 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 1.633 -15.391 24.563 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 0.815 -16.031 25.703 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 3.789 -17.713 22.329 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 4.161 -16.994 22.886 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 3.050 -18.067 22.856 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 2.472 -13.888 24.139 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 2.332 -13.347 23.330 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 2.970 -13.292 24.735 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 13.453 -24.675 24.901 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 13.741 -23.759 25.090 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 12.473 -24.632 24.966 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 10.230 -27.685 23.201 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 10.657 -27.552 24.062 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 10.856 -27.296 22.563 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 7.204 -18.995 21.344 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 8.133 -19.005 21.102 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 6.914 -18.076 21.142 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 7.515 -27.806 23.324 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 8.501 -27.768 23.263 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 7.334 -28.696 23.665 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 -1.150 -30.939 29.727 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 -1.096 -31.294 28.809 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 -0.468 -31.418 30.206 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 13.196 -18.547 20.759 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 14.152 -18.698 20.904 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 12.780 -18.890 21.558 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 9.022 -15.707 14.530 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 9.822 -15.449 15.032 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 8.312 -15.734 15.209 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 14.350 -20.514 22.678 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 13.912 -21.199 22.138 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 15.006 -20.114 22.076 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 -3.980 -12.882 25.432 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 -3.572 -11.992 25.491 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 -3.212 -13.496 25.434 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 0.004 -15.496 27.224 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 0.049 -14.790 27.886 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 0.270 -16.305 27.717 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 16.727 -26.503 21.630 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 17.487 -27.108 21.686 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 16.461 -26.542 20.689 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 13.130 -28.619 20.394 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 12.475 -29.351 20.459 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 13.992 -29.052 20.610 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 14.605 -24.938 22.313 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 14.542 -24.967 23.288 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 15.424 -25.451 22.109 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 17.196 -30.756 22.777 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 17.502 -30.669 23.690 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 17.744 -31.497 22.410 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 -1.871 -28.364 29.129 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 -1.560 -29.169 29.594 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 -1.556 -28.492 28.200 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 15.399 -30.012 20.800 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 16.014 -30.054 21.555 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 15.647 -30.785 20.252 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 -4.607 -28.680 28.899 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 -4.949 -27.770 28.965 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 -3.634 -28.567 28.902 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 -0.418 -14.706 30.580 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 -0.783 -15.507 30.962 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 0.543 -14.903 30.477 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 2.050 -15.633 29.963 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 1.692 -16.446 29.550 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 2.987 -15.649 29.740 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 7.129 -27.143 27.306 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 6.410 -27.365 27.946 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 6.666 -26.655 26.586 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 11.101 -32.150 27.043 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 10.247 -32.321 26.590 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 10.937 -32.429 27.969 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 14.605 -31.836 23.227 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 14.055 -31.050 23.442 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 15.503 -31.473 23.101 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 3.646 -30.413 22.417 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 4.161 -30.237 23.228 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 3.490 -31.376 22.439 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 7.449 -29.661 26.114 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 8.398 -29.691 26.329 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 7.128 -28.863 26.579 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 2.936 1.089 -23.475 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 3.458 0.418 -23.961 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 2.448 1.567 -24.182 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 2.491 -5.940 -31.839 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 1.832 -5.216 -31.796 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 2.998 -5.751 -32.634 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 3.956 -7.957 -27.472 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 4.271 -7.079 -27.171 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 3.384 -7.754 -28.251 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 3.197 -10.507 -26.837 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 3.481 -9.572 -26.933 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 2.351 -10.551 -27.335 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 4.989 -5.436 -26.922 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 5.912 -5.207 -26.765 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 4.764 -4.968 -27.763 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 6.628 -0.987 -24.388 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 5.656 -1.043 -24.431 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 6.798 -0.136 -23.987 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 3.282 0.111 -20.794 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 2.324 0.140 -20.696 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 3.446 0.558 -21.650 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 5.045 -11.380 -24.953 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 5.786 -11.552 -25.571 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 4.338 -11.015 -25.528 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 1.590 -2.719 -27.551 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 1.555 -3.604 -27.979 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 2.166 -2.860 -26.770 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 3.241 -3.757 -25.609 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 2.767 -4.262 -24.927 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 3.847 -4.412 -26.014 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 4.379 -2.485 -21.346 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 3.707 -2.382 -22.045 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 4.468 -1.593 -20.976 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 1.542 -5.126 -28.810 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 0.640 -5.224 -29.182 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 1.949 -6.006 -28.944 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 0.385 0.517 -22.610 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 -0.112 0.994 -23.286 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 1.323 0.651 -22.868 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 2.062 -2.141 -22.846 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 1.853 -3.059 -23.105 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 1.386 -1.923 -22.175 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 5.429 -7.990 -22.051 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 5.630 -8.940 -22.221 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 5.855 -7.526 -22.777 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 8.769 -11.131 -22.073 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 9.150 -11.983 -21.767 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 9.512 -10.671 -22.472 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 4.111 -4.113 -29.111 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 3.183 -4.414 -29.174 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 4.082 -3.197 -29.403 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 7.570 -4.154 -16.510 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 8.353 -3.707 -16.175 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 6.930 -3.419 -16.683 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 0.964 -10.591 -28.505 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 0.782 -11.079 -29.342 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 0.571 -9.708 -28.659 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 2.476 -7.559 -29.673 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 1.599 -7.994 -29.753 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 2.593 -7.096 -30.536 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 -0.195 -8.276 -29.701 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 -0.807 -8.804 -30.258 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 -0.514 -7.355 -29.805 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 1.628 -2.649 -18.788 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 0.878 -2.574 -18.161 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 1.264 -2.316 -19.634 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 5.549 -9.755 -28.822 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 5.020 -9.105 -28.310 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 5.226 -9.663 -29.724 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 -0.131 -11.716 -30.706 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 -0.792 -11.078 -31.038 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 -0.660 -12.502 -30.455 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 6.907 -11.207 -26.965 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 6.409 -10.693 -27.644 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 7.727 -10.715 -26.851 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 3.857 -1.208 -24.664 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 3.114 -1.419 -24.058 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 3.968 -2.023 -25.189 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 4.268 0.699 -15.437 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 3.855 0.388 -16.251 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 4.050 1.635 -15.400 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 7.640 -8.985 -17.836 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 8.377 -9.466 -18.230 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 7.914 -8.035 -17.893 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 5.958 -1.993 -16.827 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 5.953 -1.248 -16.215 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 5.269 -1.760 -17.490 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 0.246 -13.094 -27.277 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 0.570 -12.240 -27.636 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 -0.261 -12.835 -26.467 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 -0.659 -2.490 -17.298 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 -1.085 -1.878 -17.933 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -1.377 -3.123 -17.064 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 -0.624 -7.379 -19.111 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 -1.453 -7.377 -19.640 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 -0.679 -6.572 -18.575 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 4.963 -4.813 -20.068 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 4.815 -4.001 -20.607 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 5.450 -4.498 -19.300 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 3.867 -1.114 -18.355 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 3.149 -1.775 -18.447 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 3.801 -0.579 -19.172 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 8.303 -6.350 -18.138 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 8.554 -5.802 -18.887 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 7.937 -5.716 -17.489 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 7.979 -17.427 -18.759 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 8.618 -18.155 -18.911 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 8.293 -16.713 -19.347 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 1.450 0.075 -27.599 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 1.529 -0.892 -27.471 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 1.436 0.185 -28.554 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 -0.816 -5.580 -30.159 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 -0.419 -5.155 -30.944 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 -1.549 -4.978 -29.907 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 2.552 -14.246 -26.120 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 1.696 -13.971 -26.504 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 3.221 -13.905 -26.763 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 9.953 -13.533 -21.626 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 9.541 -14.387 -21.378 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 10.802 -13.532 -21.139 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 -1.869 -7.384 -10.431 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 -2.527 -7.727 -9.800 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 -1.842 -6.419 -10.248 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 -4.188 -0.818 -4.005 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 -3.980 -0.046 -3.469 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 -5.106 -0.684 -4.269 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 8.118 -9.440 -10.550 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 8.432 -9.317 -11.471 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 8.437 -10.331 -10.308 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 0.616 -4.248 -9.512 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.269 -4.372 -10.226 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 1.156 -3.922 -8.753 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 6.270 -4.290 -9.500 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 7.162 -4.243 -9.859 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 5.990 -3.345 -9.426 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 -0.337 -11.380 -5.720 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 0.598 -11.096 -5.782 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 -0.763 -10.685 -5.171 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 3.324 -9.069 -9.811 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 2.926 -8.232 -9.477 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 4.244 -8.807 -10.054 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 5.772 -6.209 -15.847 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 5.370 -6.184 -14.955 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 6.354 -5.429 -15.873 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 5.501 -1.717 -9.140 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 4.734 -1.481 -8.579 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 5.914 -0.870 -9.343 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 2.429 -11.335 -8.560 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 2.657 -10.472 -8.954 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 2.363 -11.153 -7.599 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 9.406 -13.925 -8.015 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 9.206 -14.806 -7.656 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 9.838 -13.460 -7.270 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 5.659 -10.809 -19.874 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 5.752 -10.690 -20.841 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 6.263 -10.163 -19.495 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 3.433 -0.946 -7.417 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 3.648 -0.693 -6.509 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 2.742 -0.321 -7.680 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 3.002 -4.557 -10.931 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 3.780 -4.057 -10.650 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 2.874 -4.297 -11.870 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 4.376 -6.282 -13.454 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 4.434 -6.440 -12.503 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 3.767 -5.521 -13.534 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 5.810 -8.086 -10.156 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 6.676 -8.524 -10.333 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 6.051 -7.233 -9.778 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 2.601 -10.777 -11.972 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 2.843 -10.142 -12.688 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 2.690 -10.252 -11.154 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 2.786 -3.916 -13.640 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 1.906 -3.923 -14.080 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 3.293 -3.263 -14.143 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 11.676 -13.769 -9.616 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 12.302 -13.599 -8.880 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 10.837 -13.968 -9.167 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 2.687 -9.344 -17.321 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 3.014 -10.202 -17.008 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 3.483 -8.776 -17.324 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 4.762 -5.184 -7.434 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 5.343 -5.215 -6.666 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 5.355 -4.916 -8.175 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 2.556 -3.576 -7.762 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 2.892 -2.675 -7.606 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 3.303 -4.157 -7.514 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 7.666 -10.244 -15.316 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 8.236 -11.003 -15.578 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 7.520 -9.756 -16.153 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 2.215 -5.293 -18.348 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 2.152 -4.323 -18.479 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 1.477 -5.502 -17.752 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 0.298 -6.548 -7.928 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 0.143 -5.720 -8.415 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 1.232 -6.761 -8.119 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 12.703 -13.257 -7.065 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 13.470 -13.141 -6.501 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 11.938 -13.216 -6.444 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 9.017 -9.249 -13.143 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 9.188 -8.421 -13.604 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 8.453 -9.759 -13.772 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 3.419 -8.977 -13.816 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 4.183 -9.545 -14.052 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 3.768 -8.068 -13.881 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 5.038 -8.044 -17.648 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 5.885 -8.532 -17.716 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 5.238 -7.312 -17.011 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 2.854 -6.554 -8.940 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 2.810 -5.888 -9.656 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 3.482 -6.168 -8.295 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 3.673 -14.871 -3.069 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 4.617 -14.985 -2.818 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 3.215 -14.707 -2.209 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 -1.998 -4.640 -10.058 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 -1.040 -4.531 -9.850 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 -2.291 -3.748 -10.279 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 8.998 -12.102 -10.251 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 9.122 -12.693 -9.481 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 9.907 -11.921 -10.563 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 9.484 -12.212 -16.017 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 10.168 -12.570 -16.605 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 9.425 -12.865 -15.294 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 10.970 -10.766 -11.873 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 11.644 -10.122 -11.625 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 10.306 -10.241 -12.371 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 5.291 -10.938 -14.255 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 6.207 -10.660 -14.497 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 4.918 -11.276 -15.093 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 2.342 -10.717 -5.860 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 2.725 -10.005 -5.335 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 2.476 -11.526 -5.305 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 -0.215 -12.770 -3.195 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 -0.423 -12.317 -4.034 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 -0.301 -12.066 -2.516 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 6.708 -10.646 15.093 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 6.832 -9.781 15.542 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 6.005 -10.484 14.452 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 2.549 -3.385 15.700 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 2.270 -2.736 15.048 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 2.339 -2.967 16.563 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 4.610 -12.830 9.492 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 4.836 -13.752 9.735 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 5.450 -12.443 9.225 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 8.010 -12.710 16.275 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 7.427 -12.054 15.823 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 8.409 -12.198 17.010 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 6.420 -5.446 18.929 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 5.539 -5.024 19.038 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 6.478 -5.628 17.968 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 3.252 -5.866 16.430 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 2.962 -4.974 16.113 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 2.924 -6.484 15.733 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 1.974 -2.642 18.261 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 1.350 -3.358 18.527 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 1.670 -1.862 18.776 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 3.889 -4.494 18.849 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 3.650 -5.177 18.193 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 3.310 -3.733 18.622 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 1.872 -9.886 13.429 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 1.819 -10.199 12.512 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 1.002 -10.139 13.821 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 0.312 -6.392 16.928 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 -0.056 -6.399 16.018 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 1.253 -6.598 16.803 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 5.984 -5.835 16.239 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 5.003 -5.879 16.279 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 6.164 -5.235 15.505 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 5.276 -7.746 20.002 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 5.522 -8.531 19.464 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 5.923 -7.061 19.740 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 7.213 -8.344 16.606 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 7.862 -8.056 17.289 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 6.747 -7.520 16.365 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 3.996 -11.610 13.087 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 3.396 -10.978 13.519 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 3.595 -11.749 12.206 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 9.807 -8.881 20.760 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 8.925 -9.307 20.696 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 9.841 -8.542 21.680 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 8.536 -10.670 18.011 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 8.121 -10.478 18.881 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 8.158 -9.999 17.416 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 8.806 -7.428 18.619 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 8.768 -6.543 19.005 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 9.330 -7.947 19.263 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 -1.817 -12.065 16.453 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 -1.849 -11.276 17.046 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 -2.741 -12.311 16.335 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 10.881 -11.054 19.374 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 10.843 -10.273 19.965 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 10.127 -10.922 18.761 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 -1.568 -6.969 22.893 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 -1.567 -6.074 23.305 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 -1.400 -7.578 23.651 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 -1.472 -4.615 24.275 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 -1.928 -5.049 25.031 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 -0.576 -4.406 24.625 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 1.576 -8.022 25.670 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 2.354 -7.833 25.102 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 1.571 -9.011 25.741 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 0.847 -3.795 25.502 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 1.138 -4.520 26.109 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 0.621 -3.069 26.093 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 1.527 -5.760 27.222 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 1.855 -6.034 28.083 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 1.531 -6.587 26.689 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 3.072 -2.785 24.111 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 2.313 -3.294 24.471 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 3.221 -3.171 23.225 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 7.387 -10.125 20.428 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 6.503 -10.253 20.017 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 7.237 -10.308 21.383 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 5.413 -3.746 25.216 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 5.800 -3.044 25.743 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 4.581 -3.357 24.871 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 1.681 -10.688 25.589 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 0.961 -11.336 25.741 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 2.474 -11.237 25.442 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 5.818 -9.773 25.255 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 6.547 -9.176 25.528 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 5.085 -9.164 25.022 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 0.578 -6.483 21.192 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 0.819 -5.645 21.661 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 -0.181 -6.828 21.702 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 4.397 -9.464 21.946 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 4.590 -10.275 21.430 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 4.843 -8.754 21.444 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 6.045 -6.172 24.138 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 5.807 -5.301 24.537 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 6.777 -5.955 23.510 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 2.632 -11.985 22.124 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 2.593 -11.074 22.445 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 3.307 -11.961 21.413 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 7.727 -7.816 25.479 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 8.142 -7.274 26.160 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 7.116 -7.196 25.016 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 1.066 -4.078 22.185 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 1.892 -3.659 21.869 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 0.514 -3.330 22.478 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 3.573 -3.327 21.407 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 4.048 -2.515 21.195 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 3.768 -3.923 20.655 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 9.594 -8.105 23.407 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 8.899 -8.059 24.093 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 10.301 -8.649 23.821 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 3.949 -7.981 24.215 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 4.611 -7.262 24.113 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 4.035 -8.507 23.389 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 7.177 -10.805 23.084 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 6.709 -10.369 23.829 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 8.079 -10.966 23.427 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 -1.023 -12.869 28.718 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 -1.565 -12.185 29.125 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 -0.842 -13.501 29.453 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 8.301 -5.740 22.717 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 8.547 -5.276 21.888 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 8.963 -6.453 22.798 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 8.539 -4.468 20.297 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 8.644 -3.561 19.999 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 7.703 -4.767 19.875 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 -1.084 -8.265 25.243 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 -0.111 -8.201 25.394 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 -1.457 -7.529 25.771 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 -0.527 -12.270 26.116 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 -0.606 -12.506 27.070 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 -0.802 -13.082 25.648 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 4.139 -11.955 25.105 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 4.587 -12.316 24.311 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 4.724 -11.222 25.393 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 11.155 -9.956 24.657 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 11.971 -10.372 24.945 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 10.595 -10.705 24.356 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 17.285 -57.274 -4.467 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 16.404 -57.068 -4.091 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 17.747 -57.755 -3.750 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.466 -55.327 -6.338 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 20.759 -55.921 -7.033 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 21.199 -55.337 -5.690 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 25.248 -55.650 -4.179 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 24.347 -55.714 -4.550 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 25.624 -54.848 -4.599 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 26.366 -53.462 -5.486 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 26.111 -52.745 -6.115 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 27.188 -53.810 -5.849 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 25.928 -51.751 -3.328 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 25.222 -52.110 -2.743 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 26.036 -52.435 -4.019 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 22.489 -55.828 -4.529 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 22.051 -56.609 -4.130 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 22.549 -55.194 -3.793 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 12.270 -53.022 -7.792 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 11.438 -53.523 -7.922 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 12.724 -53.080 -8.663 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 21.325 -48.981 -7.038 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 21.617 -48.476 -7.830 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 21.048 -48.293 -6.404 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 15.924 -53.106 -9.424 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 15.890 -53.724 -8.666 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 16.700 -52.543 -9.241 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 18.565 -58.585 -2.437 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.230 -58.936 -1.821 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 17.718 -58.988 -2.134 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.327 -59.357 2.925 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 18.411 -60.268 3.226 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 17.592 -59.389 2.268 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 26.040 -51.422 -7.282 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 26.666 -50.672 -7.279 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 25.258 -51.078 -7.757 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 13.561 -50.030 -10.839 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 13.998 -49.150 -10.888 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 13.033 -49.994 -10.015 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 24.864 -56.886 -1.783 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 25.000 -57.805 -2.031 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 25.121 -56.379 -2.593 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 21.162 -57.517 -2.763 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.222 -57.610 -3.005 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 21.301 -58.214 -2.087 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 20.852 -59.392 -0.781 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 21.229 -60.242 -0.534 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 20.728 -58.925 0.083 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 16.973 -49.637 -11.237 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 16.320 -48.899 -11.300 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 16.820 -50.012 -10.360 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 17.776 -55.060 -5.878 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.738 -55.035 -6.079 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 17.668 -55.875 -5.329 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 16.221 -59.485 -1.391 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 15.614 -58.719 -1.445 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 16.312 -59.647 -0.429 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 25.121 -49.164 -4.043 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 24.987 -50.061 -3.676 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 26.095 -49.063 -4.059 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 16.450 -51.732 -6.418 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 17.170 -52.013 -5.822 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 16.894 -51.598 -7.280 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 17.954 -51.289 -8.879 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 18.403 -51.172 -9.727 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 18.691 -51.292 -8.217 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 19.891 -51.284 -7.017 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 19.868 -51.590 -6.096 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 20.489 -50.503 -6.997 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 14.895 -50.628 -13.165 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 14.374 -50.471 -12.353 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 15.813 -50.524 -12.880 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 18.471 -55.180 8.898 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 18.203 -54.683 9.677 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 17.991 -56.011 8.967 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 19.757 -53.934 6.860 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 19.353 -54.463 7.584 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 19.888 -54.580 6.135 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 20.010 -55.509 4.630 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 20.754 -56.013 4.235 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 19.276 -56.171 4.691 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 15.782 -48.113 11.608 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 15.456 -47.379 12.167 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 16.656 -47.803 11.300 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 21.827 -51.358 3.367 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 21.562 -50.996 2.507 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 22.710 -51.758 3.197 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 22.114 -56.748 3.429 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 22.548 -55.990 2.971 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 22.805 -57.107 3.996 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 26.137 -52.591 5.011 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 26.936 -52.894 5.448 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 25.846 -51.819 5.547 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 17.976 -57.277 4.699 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 17.004 -57.200 4.774 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 18.111 -58.029 4.087 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 23.524 -54.661 2.312 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 23.958 -53.798 2.491 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 24.189 -55.160 1.781 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 25.209 -50.392 6.384 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 25.568 -49.583 6.755 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 24.336 -50.127 6.028 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 23.675 -52.716 -1.933 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 23.323 -53.626 -1.884 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 23.107 -52.212 -1.321 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 24.446 -52.088 2.961 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.646 -51.136 2.824 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 25.094 -52.369 3.648 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 21.107 -53.871 1.405 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 21.960 -54.257 1.697 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.363 -53.231 0.711 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 22.071 -46.323 2.249 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 21.529 -47.108 2.453 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 22.407 -46.494 1.365 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.528 -49.278 3.209 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 24.471 -48.394 2.835 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 23.900 -49.264 3.957 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 20.617 -58.380 1.700 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 21.109 -57.773 2.291 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 19.804 -58.595 2.199 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 27.781 -49.779 -4.282 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 27.415 -50.559 -3.815 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 28.713 -50.014 -4.451 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 22.590 -55.290 -1.765 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 21.888 -55.958 -1.874 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 23.397 -55.818 -1.601 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 25.165 -56.344 0.913 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 25.861 -56.980 1.089 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 25.005 -56.425 -0.051 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.663 -51.642 -0.159 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 21.785 -50.783 -0.627 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 20.825 -51.518 0.345 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.238 -45.771 9.225 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 20.392 -45.036 8.583 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 20.431 -46.570 8.715 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 19.835 -48.873 6.189 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 19.259 -48.664 6.956 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 20.000 -49.841 6.270 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 18.207 -46.812 10.798 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.931 -46.391 10.285 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 18.091 -46.223 11.570 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.190 -48.149 8.313 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 18.245 -47.931 9.263 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 17.358 -47.756 8.031 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.621 -51.441 6.497 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 21.507 -51.497 6.872 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 20.223 -52.324 6.688 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 19.024 -38.003 -6.734 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 19.538 -37.502 -6.069 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 18.860 -38.863 -6.309 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 18.202 -43.314 -8.673 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 17.667 -43.597 -7.906 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 17.587 -43.383 -9.436 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 21.020 -40.851 -7.344 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 21.785 -41.285 -7.784 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 20.607 -40.317 -8.056 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 20.682 -46.592 -10.971 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 20.353 -45.764 -11.364 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 20.222 -47.296 -11.479 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 21.737 -42.187 -4.994 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 21.777 -43.071 -5.421 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 21.487 -41.585 -5.722 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 22.932 -42.454 -8.484 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 23.470 -43.084 -7.994 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 22.176 -42.989 -8.810 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 20.685 -36.825 -0.183 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 19.801 -37.179 -0.423 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 20.801 -36.060 -0.778 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 9.717 -35.963 -14.426 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 9.751 -35.896 -13.452 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 9.273 -36.825 -14.586 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 23.753 -50.093 -8.228 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 22.977 -50.471 -7.788 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 23.379 -49.414 -8.828 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 24.028 -40.763 -3.434 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 23.478 -40.642 -4.223 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 23.467 -41.309 -2.835 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 25.304 -34.789 -0.593 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 25.139 -34.105 0.083 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 25.043 -35.630 -0.154 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 17.384 -40.225 -1.202 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 17.652 -39.326 -0.931 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 16.493 -40.345 -0.780 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 15.546 -37.482 -1.630 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 14.761 -37.406 -2.178 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 15.194 -37.806 -0.754 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 20.131 -30.380 -5.575 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 20.426 -30.686 -4.695 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 19.971 -31.213 -6.073 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 22.977 -37.082 -3.515 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 23.196 -36.148 -3.327 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 23.663 -37.587 -3.043 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 18.841 -39.157 -3.385 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 18.865 -39.688 -4.210 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 18.205 -39.632 -2.816 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.412 -47.799 -9.245 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 21.810 -47.382 -9.909 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 23.110 -47.124 -9.101 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 27.455 -49.079 -6.898 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 27.540 -49.249 -5.933 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 26.630 -48.561 -6.975 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 26.582 -41.497 -4.133 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 26.501 -42.353 -4.560 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 25.660 -41.260 -3.891 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 21.682 -44.550 -6.447 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 21.359 -44.377 -7.358 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 21.410 -45.458 -6.269 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 19.376 -44.165 -11.595 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.306 -43.212 -11.396 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 18.493 -44.516 -11.372 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 18.222 -37.552 -1.207 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 18.514 -37.858 -2.088 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 17.255 -37.396 -1.318 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 17.770 -41.681 -13.734 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 18.418 -41.389 -14.387 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 18.226 -41.549 -12.868 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 24.953 -38.537 -2.051 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 25.914 -38.657 -2.228 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 24.537 -39.321 -2.469 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 19.464 -39.305 -9.088 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 18.634 -39.191 -9.587 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 19.367 -38.692 -8.324 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 22.045 -42.198 -2.285 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 21.854 -42.309 -3.244 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 21.172 -42.032 -1.886 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 20.407 -37.115 -4.499 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 20.010 -37.849 -3.987 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 21.361 -37.130 -4.242 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 19.459 -34.567 -4.095 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 19.716 -35.480 -4.356 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 19.841 -34.464 -3.198 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 27.499 -39.370 -2.674 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 27.213 -40.109 -3.259 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 28.441 -39.515 -2.558 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.778 -44.033 -8.980 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 20.668 -44.570 -9.781 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 19.872 -43.680 -8.802 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 24.760 -37.334 0.394 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 24.861 -37.793 -0.475 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 23.957 -37.728 0.776 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 19.375 -42.084 -1.546 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 18.695 -41.401 -1.339 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 19.155 -42.370 -2.449 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 24.864 -48.202 -6.603 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 24.820 -48.518 -5.674 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 24.443 -48.924 -7.122 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 24.502 -46.209 -8.432 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 24.597 -46.787 -7.644 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 25.405 -46.022 -8.698 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 29.970 -49.917 -6.112 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 29.176 -49.653 -6.615 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 30.704 -49.617 -6.653 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 20.429 -43.274 0.751 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 20.086 -42.901 -0.091 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 20.650 -44.189 0.531 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.794 -47.833 -3.385 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 23.646 -48.281 -3.573 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 22.675 -47.228 -4.125 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 21.636 -49.174 -1.252 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 22.061 -48.727 -2.014 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 20.938 -48.548 -0.968 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 15.920 -31.935 -11.116 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 16.283 -32.800 -11.346 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 16.596 -31.542 -10.507 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 17.641 -30.830 -9.364 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 17.935 -29.894 -9.331 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 17.529 -31.077 -8.421 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 18.901 -40.710 -5.626 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 18.860 -41.595 -5.206 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 19.600 -40.804 -6.311 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 20.885 -34.491 -1.722 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 20.956 -33.781 -1.058 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 21.791 -34.568 -2.090 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 23.493 -34.524 -2.604 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 24.251 -34.714 -2.008 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 23.420 -33.551 -2.589 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 17.283 -32.923 -4.638 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 16.904 -32.819 -3.748 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 18.021 -33.551 -4.510 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 20.677 -31.063 -2.935 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 19.962 -31.509 -2.423 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 21.474 -31.587 -2.737 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 19.030 -28.017 -6.277 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 19.289 -28.965 -6.147 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 19.871 -27.552 -6.345 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 19.061 -48.271 -12.431 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 18.494 -48.993 -12.100 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 18.452 -47.498 -12.485 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 19.542 -44.789 -14.287 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 19.717 -44.571 -13.352 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 18.601 -44.586 -14.405 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 19.512 -41.413 8.393 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 18.917 -40.851 7.841 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 19.135 -41.345 9.300 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 19.727 -32.894 12.383 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 19.358 -32.085 12.011 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 19.534 -32.824 13.349 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 18.296 -39.845 6.552 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 18.558 -40.089 5.639 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 18.353 -38.872 6.559 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 21.314 -37.321 7.572 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 21.499 -38.289 7.668 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 20.549 -37.288 6.970 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 20.420 -42.025 13.471 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 19.495 -41.716 13.656 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 20.309 -42.720 12.792 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 24.364 -37.835 11.887 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 23.876 -37.854 12.734 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 24.083 -38.637 11.436 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 20.745 -43.713 7.559 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 20.299 -42.883 7.831 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 21.224 -43.469 6.756 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 19.206 -36.376 13.788 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 19.618 -36.130 12.934 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 19.325 -35.586 14.349 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 21.612 -34.846 8.928 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 21.058 -34.356 8.289 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 21.551 -35.775 8.630 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 20.588 -35.307 11.597 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 20.975 -35.212 10.706 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 20.222 -34.412 11.796 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 24.341 -35.108 11.409 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 24.548 -36.062 11.363 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 23.849 -35.016 12.244 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 22.619 -38.328 13.966 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 22.264 -38.942 13.283 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 22.713 -38.889 14.763 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 26.779 -32.963 7.904 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 26.382 -33.216 7.043 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 27.233 -33.757 8.198 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 17.468 -39.641 1.851 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 17.323 -38.684 1.794 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 16.712 -40.026 1.344 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 22.515 -35.487 13.529 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 21.816 -35.539 12.842 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 22.583 -36.402 13.867 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 25.450 -33.607 5.548 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 25.910 -34.243 4.958 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 24.510 -33.865 5.485 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 20.385 -48.610 1.954 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 20.091 -49.539 1.832 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 20.259 -48.203 1.066 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 21.994 -40.261 12.123 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 22.018 -40.664 11.250 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 21.448 -40.881 12.660 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 19.139 -40.229 3.990 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 19.893 -40.023 3.412 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 18.359 -40.105 3.408 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 21.404 -41.580 5.085 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 21.569 -42.389 4.543 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 20.514 -41.290 4.813 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 20.093 -38.577 16.345 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 20.926 -38.720 15.866 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 19.669 -39.463 16.356 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 21.537 -43.751 3.366 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 21.798 -44.680 3.191 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 21.154 -43.452 2.522 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 22.893 -39.271 4.260 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 22.526 -40.134 4.533 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 22.649 -39.193 3.323 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 18.811 -41.346 10.982 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 18.096 -41.777 11.527 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 18.919 -40.477 11.390 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 23.067 -36.245 3.179 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 22.648 -36.996 2.712 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 23.993 -36.512 3.273 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 18.811 -40.963 16.670 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 19.257 -41.828 16.754 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 18.445 -40.971 15.744 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 21.887 -31.916 5.441 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 22.766 -31.489 5.511 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 22.089 -32.875 5.421 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 22.813 -34.559 5.287 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 22.784 -35.185 4.528 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 23.048 -35.126 6.052 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 23.373 -32.903 10.071 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 23.960 -33.497 10.586 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 22.746 -33.512 9.640 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 24.535 -31.054 6.096 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 25.008 -31.823 5.721 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 24.932 -30.937 6.977 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 18.252 -44.815 12.768 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 17.717 -43.977 12.746 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 19.095 -44.566 12.331 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 28.013 -34.922 -0.119 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 27.134 -34.840 -0.550 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 28.641 -34.768 -0.832 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 24.542 -32.246 0.750 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 25.316 -32.567 1.272 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 24.287 -31.402 1.197 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 24.957 -37.731 5.114 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 24.226 -38.350 4.870 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 24.614 -37.258 5.902 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.238 -43.799 11.261 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 19.861 -43.028 10.796 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 20.438 -44.437 10.546 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 21.635 -34.395 20.496 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 21.264 -34.750 19.667 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.954 -34.599 21.169 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 27.226 -36.851 1.677 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 27.687 -36.298 1.016 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 26.444 -37.191 1.200 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 22.068 -38.352 1.582 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 21.626 -37.716 0.965 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 21.573 -39.191 1.445 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 26.327 -35.682 3.926 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 26.788 -36.151 3.190 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 25.946 -36.409 4.467 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 20.291 -40.493 1.406 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 19.340 -40.329 1.258 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 20.400 -41.448 1.226 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 17.402 -42.070 18.773 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 17.787 -41.576 18.019 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 16.466 -41.779 18.797 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 26.934 -39.753 5.444 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 26.251 -39.067 5.354 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 27.514 -39.610 4.696 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 22.605 -40.021 16.133 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 22.164 -40.905 16.120 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 23.467 -40.195 16.524 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 21.384 -42.435 15.969 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 20.732 -43.088 16.294 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 21.152 -42.321 15.020 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 19.103 -43.851 16.485 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 19.209 -44.749 16.857 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 18.295 -43.907 15.961 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 18.860 -46.533 17.241 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 18.550 -47.465 17.289 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 18.945 -46.266 18.172 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 15.099 -45.938 13.191 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 14.880 -45.014 12.979 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 15.831 -45.868 13.836 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 24.174 -32.281 18.122 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 24.668 -32.905 17.584 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 23.571 -31.839 17.486 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 21.982 -32.906 14.418 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 21.022 -33.015 14.601 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 22.276 -33.800 14.135 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 25.364 -29.450 11.109 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 25.147 -28.552 10.762 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 25.343 -29.344 12.068 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 23.789 -36.296 7.172 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 24.107 -36.025 8.046 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 22.944 -36.767 7.359 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 19.165 -47.247 4.033 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 19.595 -47.831 3.376 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 19.319 -47.700 4.887 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 22.719 -49.569 5.302 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 21.944 -49.077 5.625 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 22.332 -50.294 4.762 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 21.649 -39.987 7.475 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 21.886 -40.474 6.665 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 20.943 -40.532 7.881 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 26.477 -33.723 1.894 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 27.200 -34.086 1.349 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 26.467 -34.291 2.687 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 17.356 -48.816 17.531 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 16.566 -48.433 17.113 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 17.291 -49.780 17.334 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 16.111 -47.838 19.918 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 16.766 -47.134 20.102 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 16.547 -48.395 19.245 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 19.780 -40.826 22.402 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 19.993 -39.892 22.213 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 19.843 -40.895 23.358 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 18.206 -36.613 23.991 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 17.893 -37.184 23.256 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 18.978 -37.095 24.357 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 22.563 -35.840 23.193 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 22.791 -36.183 22.317 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 23.086 -35.032 23.275 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 20.756 -30.520 21.630 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 21.551 -30.892 21.200 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 20.181 -31.297 21.782 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 20.381 -44.639 19.475 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 20.278 -43.668 19.592 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 21.333 -44.775 19.461 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 15.375 -46.845 16.758 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 15.508 -46.131 17.413 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 15.935 -46.575 15.998 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 19.901 -41.974 19.902 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 19.855 -41.707 20.849 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 18.961 -42.065 19.633 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 17.722 -38.555 18.506 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 18.584 -38.878 18.832 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 17.077 -38.910 19.145 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 22.916 -31.946 20.519 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 23.469 -32.017 19.706 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 22.485 -32.827 20.588 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 20.239 -38.256 21.531 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 19.300 -37.966 21.486 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 20.435 -38.568 20.618 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 20.249 -35.382 18.150 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 20.487 -36.308 17.997 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 19.817 -35.101 17.303 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 15.609 -39.569 20.452 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 14.939 -40.172 20.831 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 15.195 -38.690 20.511 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 19.979 -34.984 22.610 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 20.806 -35.346 22.985 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 19.270 -35.464 23.086 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 20.361 -39.362 19.049 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 20.384 -40.331 19.206 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 20.533 -39.269 18.094 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 23.051 -28.748 18.255 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 23.609 -29.408 17.832 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 23.328 -28.771 19.200 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 15.217 -36.666 20.908 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 15.204 -35.692 20.994 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 14.315 -36.945 21.195 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 15.669 -33.096 30.321 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 15.591 -32.514 31.080 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 15.062 -33.844 30.527 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 16.715 -34.358 23.848 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 17.263 -35.147 24.049 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 16.127 -34.270 24.628 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 15.107 -43.532 22.635 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 15.153 -42.569 22.673 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 14.212 -43.714 22.290 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 17.532 -37.897 21.646 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 16.837 -37.260 21.360 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 17.129 -38.769 21.482 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 18.003 -45.813 19.999 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 18.867 -45.347 19.908 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 17.740 -45.648 20.939 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 19.731 -31.200 17.093 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 18.819 -30.863 17.238 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 19.650 -31.761 16.277 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 17.988 -26.728 -13.345 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 17.415 -26.010 -13.705 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 18.885 -26.438 -13.549 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 15.233 -24.301 -11.439 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 15.491 -25.223 -11.221 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 15.266 -23.840 -10.592 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 15.693 -26.390 -8.587 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 15.712 -27.205 -8.035 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 15.806 -26.719 -9.502 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 14.089 -27.811 -12.924 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 14.080 -28.772 -12.683 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 13.565 -27.382 -12.216 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 17.192 -29.408 -13.173 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 17.477 -29.658 -12.285 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 17.557 -28.508 -13.300 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 16.153 -26.916 -11.248 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 16.958 -26.910 -11.806 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 15.480 -27.346 -11.810 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 17.249 -24.247 -3.533 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 17.714 -24.946 -3.015 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 16.927 -24.715 -4.321 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 19.654 -28.503 -3.276 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 19.963 -29.416 -3.087 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 19.374 -28.539 -4.205 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 17.111 -20.252 -0.490 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 17.578 -20.876 -1.088 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 16.400 -19.893 -1.038 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 20.756 -22.430 -2.531 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 21.310 -22.392 -3.317 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 20.803 -23.379 -2.249 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 21.611 -27.699 -1.315 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 21.981 -28.559 -1.062 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 20.998 -27.911 -2.048 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 20.881 -25.071 -1.994 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 21.407 -25.823 -1.665 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 19.970 -25.421 -2.040 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 21.368 -30.334 0.162 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 20.508 -29.866 0.204 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 21.155 -31.246 0.456 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 18.409 -26.295 -2.194 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 18.701 -27.123 -2.632 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 18.384 -26.528 -1.238 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 22.941 -32.031 -1.480 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 23.652 -32.195 -0.822 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 22.409 -31.321 -1.078 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 23.474 -30.030 1.913 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 22.689 -29.950 1.342 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 23.282 -29.439 2.667 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 17.872 -24.220 0.859 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 18.331 -25.076 0.830 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 17.132 -24.325 0.230 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 18.234 -28.170 -8.993 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 18.480 -28.134 -8.050 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 17.788 -27.332 -9.154 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 14.095 -24.293 -8.014 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 14.662 -25.077 -8.218 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 14.476 -23.931 -7.208 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 13.931 -30.441 -12.283 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 14.767 -30.886 -12.015 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 13.423 -31.144 -12.734 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 16.907 -31.159 -6.699 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 15.941 -31.276 -6.804 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 17.145 -31.778 -5.969 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 18.750 -32.042 -1.241 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 17.877 -32.414 -1.509 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 19.046 -32.623 -0.518 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 18.010 -26.949 12.359 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 17.916 -26.762 13.314 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 18.772 -27.559 12.309 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 18.800 -24.927 5.878 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 19.242 -25.725 6.230 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 19.184 -24.822 4.972 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.582 -27.474 10.285 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 21.332 -26.547 10.049 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 20.962 -27.713 11.004 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 18.758 -17.974 2.454 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 18.983 -17.887 3.389 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 19.166 -17.199 2.039 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 22.135 -30.595 12.236 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 22.044 -31.509 12.564 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 22.471 -30.094 13.017 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 18.941 -22.216 6.192 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 18.985 -21.983 5.259 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 18.869 -23.196 6.190 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 21.126 -24.868 9.759 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 20.347 -24.317 9.880 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 21.774 -24.274 9.329 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 17.895 -19.570 16.288 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 17.362 -19.231 17.036 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 18.695 -19.904 16.701 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 22.456 -24.702 2.385 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 23.114 -24.479 3.054 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 22.067 -23.835 2.132 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 17.201 -18.787 13.781 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 17.895 -19.181 13.204 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 17.498 -19.004 14.695 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 22.155 -28.336 3.801 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 21.440 -28.874 4.201 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 21.727 -27.892 3.043 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 20.301 -27.606 14.962 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 19.456 -27.109 14.962 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 20.389 -27.922 15.887 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 19.573 -27.520 6.553 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 20.523 -27.302 6.706 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 19.604 -28.352 6.043 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 17.701 -26.601 15.048 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 17.326 -25.741 15.332 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 17.090 -27.268 15.433 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 18.793 -27.012 0.390 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 18.630 -27.981 0.373 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 19.634 -26.922 0.886 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 24.296 -27.319 9.836 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 23.354 -27.059 9.898 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 24.688 -26.658 9.230 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 19.914 -24.594 3.455 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 19.851 -23.839 2.846 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 20.785 -24.981 3.259 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 21.359 -27.037 1.408 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 21.625 -27.152 0.474 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 21.840 -26.227 1.696 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 23.538 -24.692 6.821 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 24.391 -24.957 7.218 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 23.217 -23.973 7.400 1.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 22.582 -22.796 8.647 1.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 23.215 -22.151 8.976 1.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 21.751 -22.276 8.522 1.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 20.250 -21.411 8.443 1.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 19.819 -21.726 7.616 1.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 19.739 -20.614 8.686 1.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 16.700 -24.105 15.676 1.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 16.383 -24.012 16.610 1.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 17.441 -23.490 15.618 1.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 17.174 -22.540 2.914 1.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 17.707 -21.759 2.660 1.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 17.458 -23.235 2.276 1.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 15.898 -28.443 16.104 1.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 15.148 -28.276 16.711 1.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 16.363 -29.205 16.505 1.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 18.753 -20.649 1.754 1.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 18.867 -19.716 2.027 1.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 18.261 -20.592 0.910 1.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 25.812 -25.751 8.004 1.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 26.743 -25.524 8.095 1.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 25.822 -26.641 7.569 1.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 25.794 -28.292 7.037 1.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 25.888 -29.055 7.642 1.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 25.347 -28.660 6.264 1.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 20.158 -29.830 5.028 1.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 19.236 -30.145 5.087 1.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 20.703 -30.638 5.183 1.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 22.107 -21.357 -0.370 1.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 21.547 -21.739 -1.076 1.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 22.624 -20.684 -0.817 1.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 20.982 -22.344 1.909 1.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 21.498 -22.000 1.145 1.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 20.192 -21.765 1.939 1.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 20.690 -14.195 2.570 1.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 20.171 -13.503 2.156 1.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 21.462 -13.741 2.915 1.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 15.910 -18.967 20.925 1.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 16.617 -18.503 21.388 1.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 16.133 -18.854 19.975 1.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 15.968 -24.012 18.270 1.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 16.009 -24.956 18.544 1.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 15.575 -23.566 19.024 1.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 20.190 -28.575 12.417 1.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 20.729 -29.386 12.338 1.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 20.326 -28.287 13.349 1.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 22.656 -29.100 14.419 1.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 22.062 -28.361 14.651 1.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 22.684 -29.648 15.228 1.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 17.148 -30.370 17.709 1.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 17.433 -29.581 18.222 1.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 16.832 -30.998 18.391 1.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 22.457 -31.126 16.346 1.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 21.554 -31.126 16.717 1.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 22.400 -31.753 15.582 1.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 23.816 -29.317 20.811 1.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 23.588 -30.267 20.823 1.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 23.846 -29.069 21.739 1.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 16.163 -18.746 1.738 1.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 17.014 -18.390 2.057 1.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 16.415 -19.355 1.020 1.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 16.817 -21.197 10.325 1.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 16.135 -20.496 10.450 1.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 17.435 -20.812 9.673 1.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 18.184 -28.132 18.851 1.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 18.439 -28.298 19.788 1.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 19.044 -28.098 18.371 1.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 25.696 -30.573 8.631 1.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 26.140 -31.447 8.500 1.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 25.867 -30.357 9.573 1.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 18.701 -29.763 0.311 1.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 18.727 -30.338 1.108 1.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 18.556 -30.392 -0.428 1.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 22.207 -27.035 6.385 1.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 22.484 -27.402 5.527 1.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 22.686 -26.177 6.449 1.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 20.485 -28.587 17.499 1.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 21.418 -28.516 17.821 1.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 20.336 -29.548 17.414 1.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 15.361 -33.925 21.556 1.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 15.978 -34.212 22.272 1.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 14.842 -33.209 21.970 1.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 16.742 -33.724 27.911 1.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 16.342 -33.406 28.754 1.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 17.635 -33.981 28.158 1.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 18.959 -32.567 21.815 1.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 18.936 -32.752 20.852 1.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 19.231 -33.423 22.215 1.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 18.681 -28.734 21.454 1.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 19.570 -29.155 21.505 1.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 18.091 -29.378 21.883 1.00 0.00 WAT1 END