REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1267.34, 62.6925, 77.8178, 37.4171, 398.538, -370.069, -1476.05, 2.22537, 7.978493E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.727951E-03,0.451891,1.2031,42.5339,4.280577E-03,0.116194 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 17, 7 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:03 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -12.360 6.606 -6.516 1.00 31.14 ATOM 2 CB MET 1 -11.746 6.078 -4.524 1.00 21.23 ATOM 3 HB1 MET 1 -11.505 5.048 -4.748 1.00 37.49 ATOM 4 HB2 MET 1 -12.164 6.130 -3.527 1.00 41.23 ATOM 5 CG MET 1 -10.452 6.885 -4.539 1.00 41.24 ATOM 6 HG1 MET 1 -9.803 6.517 -3.757 1.00 37.49 ATOM 7 HG2 MET 1 -10.686 7.923 -4.351 1.00 33.33 ATOM 8 SD MET 1 -9.583 6.771 -6.116 1.00 14.52 ATOM 9 CE MET 1 -8.191 7.864 -5.826 1.00 12.35 ATOM 10 HE1 MET 1 -7.615 7.500 -4.987 1.00 54.20 ATOM 11 HE2 MET 1 -8.553 8.858 -5.610 1.00 21.41 ATOM 12 HE3 MET 1 -7.565 7.892 -6.706 1.00 34.00 ATOM 13 C MET 1 -13.989 5.600 -5.562 1.00 31.02 ATOM 14 O MET 1 -15.135 6.002 -5.354 1.00 33.05 ATOM 15 N MET 1 -13.245 7.945 -5.173 1.00 42.11 ATOM 16 HT1 MET 1 -12.437 8.598 -5.176 1.00 37.49 ATOM 17 HT2 MET 1 -13.676 7.951 -4.225 1.00 37.49 ATOM 18 HT3 MET 1 -13.950 8.285 -5.859 1.00 37.49 ATOM 19 CA MET 1 -12.800 6.570 -5.530 1.00 62.10 ATOM 20 N GLY 2 -13.716 4.328 -5.845 1.00 73.51 ATOM 21 HN GLY 2 -12.797 4.072 -6.070 1.00 37.49 ATOM 22 CA GLY 2 -14.764 3.310 -5.827 1.00 62.34 ATOM 23 HA1 GLY 2 -15.714 3.787 -5.628 1.00 37.49 ATOM 24 HA2 GLY 2 -14.555 2.618 -5.025 1.00 40.42 ATOM 25 C GLY 2 -14.877 2.523 -7.130 1.00 10.31 ATOM 26 O GLY 2 -15.933 2.516 -7.767 1.00 71.01 ATOM 27 N HIS 3 -13.796 1.856 -7.534 1.00 25.02 ATOM 28 HN HIS 3 -12.966 1.931 -7.014 1.00 37.49 ATOM 29 CA HIS 3 -13.815 1.016 -8.739 1.00 25.33 ATOM 30 HA HIS 3 -14.686 1.291 -9.319 1.00 53.11 ATOM 31 CB HIS 3 -12.564 1.259 -9.590 1.00 50.25 ATOM 32 HB1 HIS 3 -11.689 0.948 -9.036 1.00 37.49 ATOM 33 HB2 HIS 3 -12.486 2.314 -9.813 1.00 12.42 ATOM 34 CG HIS 3 -12.581 0.511 -10.892 1.00 43.24 ATOM 35 ND1 HIS 3 -13.484 0.775 -11.899 1.00 23.41 ATOM 36 HD1 HIS 3 -14.191 1.460 -11.873 1.00 30.01 ATOM 37 CD2 HIS 3 -11.811 -0.507 -11.346 1.00 31.20 ATOM 38 HD2 HIS 3 -10.994 -0.978 -10.819 1.00 2.14 ATOM 39 CE1 HIS 3 -13.270 -0.042 -12.909 1.00 71.22 ATOM 40 HE1 HIS 3 -13.827 -0.060 -13.835 1.00 34.24 ATOM 41 NE2 HIS 3 -12.263 -0.829 -12.601 1.00 72.51 ATOM 42 HE2 HIS 3 -11.782 -1.393 -13.243 1.00 37.49 ATOM 43 C HIS 3 -13.920 -0.472 -8.375 1.00 24.22 ATOM 44 O HIS 3 -13.259 -0.944 -7.450 1.00 55.11 ATOM 45 N HIS 4 -14.752 -1.207 -9.114 1.00 30.31 ATOM 46 HN HIS 4 -15.246 -0.774 -9.844 1.00 37.49 ATOM 47 CA HIS 4 -14.969 -2.636 -8.855 1.00 24.54 ATOM 48 HA HIS 4 -15.246 -2.737 -7.815 1.00 64.25 ATOM 49 CB HIS 4 -16.127 -3.162 -9.720 1.00 74.51 ATOM 50 HB1 HIS 4 -15.840 -3.115 -10.762 1.00 37.49 ATOM 51 HB2 HIS 4 -16.995 -2.537 -9.567 1.00 52.23 ATOM 52 CG HIS 4 -16.522 -4.579 -9.411 1.00 3.42 ATOM 53 ND1 HIS 4 -17.427 -4.908 -8.425 1.00 31.22 ATOM 54 HD1 HIS 4 -17.897 -4.272 -7.845 1.00 53.13 ATOM 55 CD2 HIS 4 -16.130 -5.756 -9.958 1.00 20.43 ATOM 56 HD2 HIS 4 -15.420 -5.885 -10.763 1.00 13.13 ATOM 57 CE1 HIS 4 -17.573 -6.215 -8.379 1.00 70.25 ATOM 58 HE1 HIS 4 -18.220 -6.754 -7.702 1.00 23.25 ATOM 59 NE2 HIS 4 -16.800 -6.755 -9.295 1.00 5.02 ATOM 60 HE2 HIS 4 -16.570 -7.709 -9.333 1.00 37.49 ATOM 61 C HIS 4 -13.693 -3.467 -9.103 1.00 0.31 ATOM 62 O HIS 4 -13.359 -3.797 -10.244 1.00 54.55 ATOM 63 N HIS 5 -12.985 -3.790 -8.024 1.00 73.34 ATOM 64 HN HIS 5 -13.282 -3.457 -7.149 1.00 37.49 ATOM 65 CA HIS 5 -11.781 -4.625 -8.091 1.00 42.53 ATOM 66 HA HIS 5 -11.912 -5.328 -8.904 1.00 2.14 ATOM 67 CB HIS 5 -10.537 -3.764 -8.373 1.00 53.11 ATOM 68 HB1 HIS 5 -10.466 -2.989 -7.623 1.00 37.49 ATOM 69 HB2 HIS 5 -10.641 -3.303 -9.345 1.00 70.10 ATOM 70 CG HIS 5 -9.245 -4.536 -8.367 1.00 4.54 ATOM 71 ND1 HIS 5 -8.221 -4.283 -7.481 1.00 73.31 ATOM 72 HD1 HIS 5 -8.222 -3.587 -6.784 1.00 34.01 ATOM 73 CD2 HIS 5 -8.813 -5.559 -9.146 1.00 13.25 ATOM 74 HD2 HIS 5 -9.359 -6.023 -9.955 1.00 24.44 ATOM 75 CE1 HIS 5 -7.223 -5.110 -7.709 1.00 43.32 ATOM 76 HE1 HIS 5 -6.290 -5.138 -7.165 1.00 35.12 ATOM 77 NE2 HIS 5 -7.554 -5.896 -8.713 1.00 44.02 ATOM 78 HE2 HIS 5 -7.077 -6.722 -8.953 1.00 37.49 ATOM 79 C HIS 5 -11.600 -5.416 -6.787 1.00 2.23 ATOM 80 O HIS 5 -11.037 -4.913 -5.814 1.00 31.24 ATOM 81 N HIS 6 -12.086 -6.653 -6.771 1.00 21.20 ATOM 82 HN HIS 6 -12.500 -7.016 -7.586 1.00 37.49 ATOM 83 CA HIS 6 -12.020 -7.489 -5.572 1.00 42.33 ATOM 84 HA HIS 6 -12.295 -6.871 -4.728 1.00 72.31 ATOM 85 CB HIS 6 -13.023 -8.648 -5.674 1.00 24.20 ATOM 86 HB1 HIS 6 -12.739 -9.290 -6.495 1.00 37.49 ATOM 87 HB2 HIS 6 -14.008 -8.247 -5.862 1.00 43.32 ATOM 88 CG HIS 6 -13.101 -9.488 -4.437 1.00 13.40 ATOM 89 ND1 HIS 6 -12.449 -10.693 -4.306 1.00 72.00 ATOM 90 HD1 HIS 6 -11.894 -11.119 -4.993 1.00 23.22 ATOM 91 CD2 HIS 6 -13.757 -9.292 -3.268 1.00 73.23 ATOM 92 HD2 HIS 6 -14.375 -8.443 -3.014 1.00 3.32 ATOM 93 CE1 HIS 6 -12.696 -11.201 -3.118 1.00 51.11 ATOM 94 HE1 HIS 6 -12.310 -12.136 -2.739 1.00 4.41 ATOM 95 NE2 HIS 6 -13.485 -10.374 -2.466 1.00 50.22 ATOM 96 HE2 HIS 6 -13.965 -10.596 -1.640 1.00 37.49 ATOM 97 C HIS 6 -10.596 -8.024 -5.335 1.00 65.01 ATOM 98 O HIS 6 -10.241 -9.115 -5.792 1.00 2.20 ATOM 99 N HIS 7 -9.776 -7.240 -4.633 1.00 32.54 ATOM 100 HN HIS 7 -10.093 -6.358 -4.345 1.00 37.49 ATOM 101 CA HIS 7 -8.416 -7.664 -4.293 1.00 71.23 ATOM 102 HA HIS 7 -7.923 -7.928 -5.218 1.00 64.31 ATOM 103 CB HIS 7 -7.630 -6.519 -3.625 1.00 12.23 ATOM 104 HB1 HIS 7 -7.617 -5.669 -4.293 1.00 37.49 ATOM 105 HB2 HIS 7 -6.613 -6.844 -3.454 1.00 25.24 ATOM 106 CG HIS 7 -8.188 -6.059 -2.306 1.00 51.33 ATOM 107 ND1 HIS 7 -9.062 -5.001 -2.182 1.00 3.33 ATOM 108 HD1 HIS 7 -9.398 -4.442 -2.917 1.00 5.03 ATOM 109 CD2 HIS 7 -7.981 -6.514 -1.046 1.00 24.11 ATOM 110 HD2 HIS 7 -7.345 -7.342 -0.758 1.00 64.54 ATOM 111 CE1 HIS 7 -9.366 -4.829 -0.911 1.00 20.31 ATOM 112 HE1 HIS 7 -10.033 -4.075 -0.518 1.00 43.33 ATOM 113 NE2 HIS 7 -8.726 -5.731 -0.202 1.00 13.02 ATOM 114 HE2 HIS 7 -8.924 -5.945 0.737 1.00 37.49 ATOM 115 C HIS 7 -8.446 -8.902 -3.384 1.00 31.41 ATOM 116 O HIS 7 -9.179 -8.943 -2.394 1.00 11.02 ATOM 117 N HIS 8 -7.652 -9.907 -3.725 1.00 0.43 ATOM 118 HN HIS 8 -7.049 -9.798 -4.493 1.00 37.49 ATOM 119 CA HIS 8 -7.639 -11.169 -2.984 1.00 53.13 ATOM 120 HA HIS 8 -8.178 -11.011 -2.059 1.00 3.14 ATOM 121 CB HIS 8 -8.368 -12.257 -3.791 1.00 3.44 ATOM 122 HB1 HIS 8 -9.430 -12.054 -3.777 1.00 37.49 ATOM 123 HB2 HIS 8 -8.190 -13.219 -3.332 1.00 62.51 ATOM 124 CG HIS 8 -7.938 -12.348 -5.228 1.00 3.24 ATOM 125 ND1 HIS 8 -8.490 -11.576 -6.228 1.00 44.45 ATOM 126 HD1 HIS 8 -9.203 -10.912 -6.116 1.00 33.44 ATOM 127 CD2 HIS 8 -7.014 -13.132 -5.834 1.00 13.42 ATOM 128 HD2 HIS 8 -6.379 -13.863 -5.354 1.00 22.52 ATOM 129 CE1 HIS 8 -7.927 -11.879 -7.380 1.00 44.01 ATOM 130 HE1 HIS 8 -8.162 -11.432 -8.333 1.00 61.34 ATOM 131 NE2 HIS 8 -7.029 -12.820 -7.171 1.00 61.25 ATOM 132 HE2 HIS 8 -6.630 -13.370 -7.878 1.00 37.49 ATOM 133 C HIS 8 -6.206 -11.606 -2.636 1.00 42.12 ATOM 134 O HIS 8 -5.471 -12.111 -3.486 1.00 2.14 ATOM 135 N SER 9 -5.810 -11.387 -1.383 1.00 53.23 ATOM 136 HN SER 9 -6.428 -10.960 -0.757 1.00 37.49 ATOM 137 CA SER 9 -4.476 -11.783 -0.910 1.00 11.43 ATOM 138 HA SER 9 -3.807 -11.773 -1.760 1.00 33.34 ATOM 139 CB SER 9 -3.952 -10.796 0.141 1.00 73.52 ATOM 140 HB1 SER 9 -4.631 -10.770 0.982 1.00 37.49 ATOM 141 HB2 SER 9 -3.883 -9.810 -0.296 1.00 5.43 ATOM 142 OG SER 9 -2.664 -11.181 0.606 1.00 22.41 ATOM 143 HG SER 9 -2.324 -10.511 1.214 1.00 0.33 ATOM 144 C SER 9 -4.498 -13.199 -0.324 1.00 52.35 ATOM 145 O SER 9 -5.562 -13.776 -0.103 1.00 73.33 ATOM 146 N HIS 10 -3.315 -13.747 -0.067 1.00 53.02 ATOM 147 HN HIS 10 -2.504 -13.213 -0.214 1.00 37.49 ATOM 148 CA HIS 10 -3.186 -15.109 0.453 1.00 62.31 ATOM 149 HA HIS 10 -3.929 -15.235 1.228 1.00 35.02 ATOM 150 CB HIS 10 -3.462 -16.135 -0.660 1.00 20.02 ATOM 151 HB1 HIS 10 -4.519 -16.123 -0.893 1.00 37.49 ATOM 152 HB2 HIS 10 -3.191 -17.121 -0.310 1.00 50.51 ATOM 153 CG HIS 10 -2.707 -15.875 -1.931 1.00 71.42 ATOM 154 ND1 HIS 10 -1.405 -16.274 -2.128 1.00 44.25 ATOM 155 HD1 HIS 10 -0.845 -16.746 -1.472 1.00 70.34 ATOM 156 CD2 HIS 10 -3.078 -15.250 -3.075 1.00 63.33 ATOM 157 HD2 HIS 10 -4.043 -14.808 -3.279 1.00 53.03 ATOM 158 CE1 HIS 10 -1.008 -15.910 -3.329 1.00 51.21 ATOM 159 HE1 HIS 10 -0.032 -16.096 -3.753 1.00 3.33 ATOM 160 NE2 HIS 10 -2.002 -15.286 -3.926 1.00 74.42 ATOM 161 HE2 HIS 10 -1.903 -14.730 -4.729 1.00 37.49 ATOM 162 C HIS 10 -1.796 -15.340 1.072 1.00 34.01 ATOM 163 O HIS 10 -0.805 -15.503 0.357 1.00 51.20 ATOM 164 N PRO 11 -1.694 -15.319 2.413 1.00 31.24 ATOM 165 CA PRO 11 -0.432 -15.608 3.110 1.00 42.45 ATOM 166 HA PRO 11 0.386 -15.032 2.698 1.00 3.05 ATOM 167 CB PRO 11 -0.714 -15.150 4.548 1.00 64.32 ATOM 168 HB1 PRO 11 -0.410 -14.120 4.667 1.00 37.49 ATOM 169 HB2 PRO 11 -0.172 -15.773 5.247 1.00 61.23 ATOM 170 CG PRO 11 -2.190 -15.302 4.708 1.00 33.43 ATOM 171 HG1 PRO 11 -2.555 -14.600 5.445 1.00 37.49 ATOM 172 HG2 PRO 11 -2.425 -16.314 5.007 1.00 52.43 ATOM 173 CD PRO 11 -2.789 -15.002 3.355 1.00 54.24 ATOM 174 HD1 PRO 11 -3.065 -13.959 3.285 1.00 37.49 ATOM 175 HD2 PRO 11 -3.649 -15.632 3.174 1.00 61.25 ATOM 176 C PRO 11 -0.076 -17.104 3.071 1.00 22.50 ATOM 177 O PRO 11 -0.900 -17.957 3.415 1.00 71.52 ATOM 178 N ASN 12 1.148 -17.421 2.648 1.00 55.13 ATOM 179 HN ASN 12 1.760 -16.706 2.383 1.00 37.49 ATOM 180 CA ASN 12 1.597 -18.817 2.567 1.00 53.04 ATOM 181 HA ASN 12 0.860 -19.356 1.986 1.00 33.52 ATOM 182 CB ASN 12 2.950 -18.907 1.835 1.00 72.04 ATOM 183 HB1 ASN 12 2.826 -18.538 0.827 1.00 37.49 ATOM 184 HB2 ASN 12 3.260 -19.942 1.793 1.00 32.35 ATOM 185 CG ASN 12 4.057 -18.108 2.503 1.00 21.40 ATOM 186 OD1 ASN 12 4.128 -18.010 3.718 1.00 72.42 ATOM 187 ND2 ASN 12 4.926 -17.520 1.708 1.00 55.22 ATOM 188 HD21 ASN 12 4.815 -17.624 0.740 1.00 33.42 ATOM 189 HD22 ASN 12 5.649 -17.008 2.119 1.00 31.14 ATOM 190 C ASN 12 1.674 -19.470 3.960 1.00 61.53 ATOM 191 O ASN 12 1.457 -18.814 4.983 1.00 33.14 ATOM 192 N GLU 13 1.988 -20.762 3.993 1.00 63.15 ATOM 193 HN GLU 13 2.224 -21.214 3.157 1.00 37.49 ATOM 194 CA GLU 13 1.983 -21.535 5.241 1.00 62.11 ATOM 195 HA GLU 13 0.977 -21.505 5.633 1.00 22.23 ATOM 196 CB GLU 13 2.345 -22.992 4.946 1.00 11.44 ATOM 197 HB1 GLU 13 3.353 -23.030 4.557 1.00 37.49 ATOM 198 HB2 GLU 13 1.668 -23.370 4.193 1.00 71.43 ATOM 199 CG GLU 13 2.269 -23.913 6.157 1.00 43.24 ATOM 200 HG1 GLU 13 1.300 -23.798 6.623 1.00 37.49 ATOM 201 HG2 GLU 13 3.041 -23.631 6.861 1.00 61.03 ATOM 202 CD GLU 13 2.460 -25.370 5.776 1.00 4.10 ATOM 203 OE1 GLU 13 1.454 -26.046 5.485 1.00 62.41 ATOM 204 OE2 GLU 13 3.618 -25.838 5.747 1.00 24.22 ATOM 205 C GLU 13 2.930 -20.943 6.302 1.00 12.42 ATOM 206 O GLU 13 2.547 -20.785 7.463 1.00 64.54 ATOM 207 N GLU 14 4.154 -20.613 5.904 1.00 31.01 ATOM 208 HN GLU 14 4.423 -20.802 4.981 1.00 37.49 ATOM 209 CA GLU 14 5.118 -19.986 6.820 1.00 63.32 ATOM 210 HA GLU 14 5.247 -20.648 7.665 1.00 0.21 ATOM 211 CB GLU 14 6.472 -19.800 6.125 1.00 42.42 ATOM 212 HB1 GLU 14 7.135 -19.266 6.793 1.00 37.49 ATOM 213 HB2 GLU 14 6.326 -19.207 5.232 1.00 43.22 ATOM 214 CG GLU 14 7.151 -21.107 5.724 1.00 72.21 ATOM 215 HG1 GLU 14 8.064 -20.873 5.194 1.00 37.49 ATOM 216 HG2 GLU 14 6.489 -21.655 5.067 1.00 41.45 ATOM 217 CD GLU 14 7.494 -21.990 6.920 1.00 50.34 ATOM 218 OE1 GLU 14 8.506 -21.709 7.596 1.00 40.13 ATOM 219 OE2 GLU 14 6.761 -22.970 7.181 1.00 42.31 ATOM 220 C GLU 14 4.608 -18.630 7.338 1.00 42.54 ATOM 221 O GLU 14 4.814 -18.277 8.503 1.00 23.34 ATOM 222 N ALA 15 3.935 -17.880 6.467 1.00 44.13 ATOM 223 HN ALA 15 3.802 -18.218 5.556 1.00 37.49 ATOM 224 CA ALA 15 3.389 -16.568 6.828 1.00 51.31 ATOM 225 HA ALA 15 4.192 -15.984 7.260 1.00 55.02 ATOM 226 CB ALA 15 2.897 -15.837 5.584 1.00 33.11 ATOM 227 HB1 ALA 15 2.549 -14.850 5.856 1.00 73.03 ATOM 228 HB2 ALA 15 2.087 -16.393 5.135 1.00 30.03 ATOM 229 HB3 ALA 15 3.707 -15.748 4.874 1.00 21.20 ATOM 230 C ALA 15 2.257 -16.689 7.860 1.00 32.12 ATOM 231 O ALA 15 2.266 -16.004 8.882 1.00 22.55 ATOM 232 N ARG 16 1.284 -17.565 7.593 1.00 62.24 ATOM 233 HN ARG 16 1.308 -18.067 6.750 1.00 37.49 ATOM 234 CA ARG 16 0.181 -17.785 8.539 1.00 23.31 ATOM 235 HA ARG 16 -0.246 -16.816 8.763 1.00 73.40 ATOM 236 CB ARG 16 -0.919 -18.677 7.926 1.00 65.21 ATOM 237 HB1 ARG 16 -1.248 -18.226 6.998 1.00 37.49 ATOM 238 HB2 ARG 16 -1.756 -18.710 8.609 1.00 63.13 ATOM 239 CG ARG 16 -0.492 -20.112 7.633 1.00 20.53 ATOM 240 HG1 ARG 16 -0.232 -20.597 8.564 1.00 37.49 ATOM 241 HG2 ARG 16 0.371 -20.095 6.983 1.00 21.03 ATOM 242 CD ARG 16 -1.606 -20.908 6.953 1.00 0.52 ATOM 243 HD1 ARG 16 -1.826 -20.451 5.998 1.00 37.49 ATOM 244 HD2 ARG 16 -2.490 -20.873 7.576 1.00 60.42 ATOM 245 NE ARG 16 -1.237 -22.308 6.738 1.00 74.24 ATOM 246 HE ARG 16 -0.844 -22.792 7.489 1.00 13.03 ATOM 247 CZ ARG 16 -1.423 -22.958 5.618 1.00 61.21 ATOM 248 NH1 ARG 16 -1.929 -22.362 4.586 1.00 23.41 ATOM 249 HH11 ARG 16 -2.182 -21.400 4.638 1.00 31.30 ATOM 250 HH12 ARG 16 -2.069 -22.869 3.738 1.00 20.53 ATOM 251 NH2 ARG 16 -1.088 -24.204 5.532 1.00 41.13 ATOM 252 HH21 ARG 16 -0.696 -24.671 6.318 1.00 63.01 ATOM 253 HH22 ARG 16 -1.215 -24.696 4.672 1.00 33.32 ATOM 254 C ARG 16 0.715 -18.386 9.852 1.00 51.34 ATOM 255 O ARG 16 0.225 -18.070 10.934 1.00 42.21 ATOM 256 N LEU 17 1.741 -19.235 9.740 1.00 53.40 ATOM 257 HN LEU 17 2.032 -19.507 8.844 1.00 37.49 ATOM 258 CA LEU 17 2.448 -19.775 10.909 1.00 32.23 ATOM 259 HA LEU 17 1.752 -20.383 11.468 1.00 2.33 ATOM 260 CB LEU 17 3.620 -20.655 10.440 1.00 4.13 ATOM 261 HB1 LEU 17 4.142 -20.126 9.653 1.00 37.49 ATOM 262 HB2 LEU 17 3.210 -21.564 10.021 1.00 63.31 ATOM 263 CG LEU 17 4.648 -21.045 11.518 1.00 15.20 ATOM 264 HG LEU 17 5.081 -20.144 11.930 1.00 61.05 ATOM 265 CD1 LEU 17 3.986 -21.803 12.662 1.00 52.24 ATOM 266 HD11 LEU 17 3.510 -22.693 12.280 1.00 14.35 ATOM 267 HD12 LEU 17 3.245 -21.173 13.132 1.00 22.51 ATOM 268 HD13 LEU 17 4.733 -22.081 13.391 1.00 53.30 ATOM 269 CD2 LEU 17 5.780 -21.867 10.908 1.00 44.33 ATOM 270 HD21 LEU 17 6.497 -22.117 11.677 1.00 21.42 ATOM 271 HD22 LEU 17 6.269 -21.291 10.136 1.00 54.30 ATOM 272 HD23 LEU 17 5.380 -22.775 10.480 1.00 11.12 ATOM 273 C LEU 17 2.963 -18.646 11.818 1.00 1.35 ATOM 274 O LEU 17 2.823 -18.703 13.043 1.00 21.35 ATOM 275 N ASP 18 3.550 -17.619 11.209 1.00 32.23 ATOM 276 HN ASP 18 3.630 -17.627 10.230 1.00 37.49 ATOM 277 CA ASP 18 4.078 -16.478 11.958 1.00 51.14 ATOM 278 HA ASP 18 4.769 -16.862 12.696 1.00 43.01 ATOM 279 CB ASP 18 4.835 -15.537 11.015 1.00 40.43 ATOM 280 HB1 ASP 18 4.131 -15.062 10.345 1.00 37.49 ATOM 281 HB2 ASP 18 5.542 -16.114 10.435 1.00 61.00 ATOM 282 CG ASP 18 5.598 -14.459 11.765 1.00 34.32 ATOM 283 OD1 ASP 18 6.644 -14.779 12.366 1.00 23.44 ATOM 284 OD2 ASP 18 5.172 -13.285 11.740 1.00 12.32 ATOM 285 C ASP 18 2.953 -15.724 12.688 1.00 14.33 ATOM 286 O ASP 18 3.155 -15.183 13.775 1.00 2.24 ATOM 287 N ILE 19 1.763 -15.716 12.094 1.00 64.10 ATOM 288 HN ILE 19 1.665 -16.153 11.221 1.00 37.49 ATOM 289 CA ILE 19 0.601 -15.068 12.708 1.00 41.33 ATOM 290 HA ILE 19 0.883 -14.047 12.941 1.00 1.13 ATOM 291 CB ILE 19 -0.610 -15.024 11.741 1.00 2.23 ATOM 292 HB ILE 19 -0.946 -16.038 11.571 1.00 11.14 ATOM 293 CG1 ILE 19 -0.196 -14.397 10.396 1.00 60.54 ATOM 294 HG11 ILE 19 0.617 -14.971 9.974 1.00 37.49 ATOM 295 HG12 ILE 19 0.139 -13.384 10.565 1.00 30.12 ATOM 296 CG2 ILE 19 -1.762 -14.236 12.365 1.00 64.44 ATOM 297 HG21 ILE 19 -2.054 -14.702 13.295 1.00 3.24 ATOM 298 HG22 ILE 19 -2.605 -14.230 11.689 1.00 30.21 ATOM 299 HG23 ILE 19 -1.446 -13.220 12.556 1.00 72.14 ATOM 300 CD1 ILE 19 -1.309 -14.346 9.367 1.00 62.41 ATOM 301 HD11 ILE 19 -0.935 -13.903 8.456 1.00 75.30 ATOM 302 HD12 ILE 19 -2.126 -13.750 9.746 1.00 2.31 ATOM 303 HD13 ILE 19 -1.659 -15.347 9.162 1.00 62.43 ATOM 304 C ILE 19 0.199 -15.774 14.021 1.00 65.12 ATOM 305 O ILE 19 -0.117 -15.117 15.019 1.00 53.11 ATOM 306 N LEU 20 0.218 -17.113 14.028 1.00 43.24 ATOM 307 HN LEU 20 0.386 -17.597 13.189 1.00 37.49 ATOM 308 CA LEU 20 -0.014 -17.872 15.270 1.00 14.21 ATOM 309 HA LEU 20 -0.975 -17.563 15.660 1.00 3.51 ATOM 310 CB LEU 20 -0.050 -19.393 15.022 1.00 63.52 ATOM 311 HB1 LEU 20 0.064 -19.892 15.975 1.00 37.49 ATOM 312 HB2 LEU 20 0.796 -19.655 14.400 1.00 42.12 ATOM 313 CG LEU 20 -1.332 -19.928 14.350 1.00 62.10 ATOM 314 HG LEU 20 -2.182 -19.406 14.768 1.00 30.44 ATOM 315 CD1 LEU 20 -1.330 -19.659 12.850 1.00 5.31 ATOM 316 HD11 LEU 20 -1.249 -18.596 12.674 1.00 62.23 ATOM 317 HD12 LEU 20 -2.250 -20.023 12.417 1.00 1.25 ATOM 318 HD13 LEU 20 -0.491 -20.164 12.391 1.00 25.12 ATOM 319 CD2 LEU 20 -1.521 -21.416 14.635 1.00 61.51 ATOM 320 HD21 LEU 20 -1.576 -21.575 15.703 1.00 10.45 ATOM 321 HD22 LEU 20 -0.690 -21.974 14.229 1.00 43.04 ATOM 322 HD23 LEU 20 -2.441 -21.755 14.177 1.00 64.34 ATOM 323 C LEU 20 1.058 -17.539 16.319 1.00 32.25 ATOM 324 O LEU 20 0.774 -17.492 17.520 1.00 71.51 ATOM 325 N LYS 21 2.287 -17.303 15.861 1.00 3.41 ATOM 326 HN LYS 21 2.476 -17.444 14.908 1.00 37.49 ATOM 327 CA LYS 21 3.368 -16.848 16.745 1.00 74.10 ATOM 328 HA LYS 21 3.491 -17.586 17.524 1.00 10.11 ATOM 329 CB LYS 21 4.687 -16.716 15.969 1.00 52.03 ATOM 330 HB1 LYS 21 5.448 -16.334 16.637 1.00 37.49 ATOM 331 HB2 LYS 21 4.547 -16.009 15.163 1.00 30.25 ATOM 332 CG LYS 21 5.193 -18.024 15.369 1.00 34.33 ATOM 333 HG1 LYS 21 4.417 -18.444 14.744 1.00 37.49 ATOM 334 HG2 LYS 21 5.426 -18.713 16.170 1.00 74.11 ATOM 335 CD LYS 21 6.444 -17.801 14.524 1.00 11.20 ATOM 336 HD1 LYS 21 7.218 -17.376 15.149 1.00 37.49 ATOM 337 HD2 LYS 21 6.208 -17.112 13.725 1.00 51.52 ATOM 338 CE LYS 21 6.957 -19.099 13.916 1.00 52.22 ATOM 339 HE1 LYS 21 6.153 -19.571 13.370 1.00 37.49 ATOM 340 HE2 LYS 21 7.286 -19.754 14.711 1.00 44.21 ATOM 341 NZ LYS 21 8.091 -18.859 12.988 1.00 15.03 ATOM 342 HZ1 LYS 21 7.770 -18.303 12.169 1.00 72.54 ATOM 343 HZ2 LYS 21 8.475 -19.763 12.649 1.00 15.43 ATOM 344 HZ3 LYS 21 8.848 -18.334 13.473 1.00 43.22 ATOM 345 C LYS 21 3.007 -15.503 17.395 1.00 64.44 ATOM 346 O LYS 21 3.010 -15.374 18.618 1.00 1.55 ATOM 347 N ILE 22 2.660 -14.519 16.564 1.00 63.11 ATOM 348 HN ILE 22 2.663 -14.695 15.597 1.00 37.49 ATOM 349 CA ILE 22 2.283 -13.178 17.035 1.00 72.53 ATOM 350 HA ILE 22 3.175 -12.695 17.409 1.00 45.03 ATOM 351 CB ILE 22 1.725 -12.326 15.865 1.00 61.21 ATOM 352 HB ILE 22 0.853 -12.830 15.472 1.00 41.03 ATOM 353 CG1 ILE 22 2.771 -12.196 14.744 1.00 23.12 ATOM 354 HG11 ILE 22 3.091 -13.183 14.443 1.00 37.49 ATOM 355 HG12 ILE 22 3.625 -11.647 15.117 1.00 74.53 ATOM 356 CG2 ILE 22 1.288 -10.945 16.352 1.00 43.51 ATOM 357 HG21 ILE 22 2.137 -10.425 16.772 1.00 22.43 ATOM 358 HG22 ILE 22 0.523 -11.053 17.107 1.00 10.11 ATOM 359 HG23 ILE 22 0.894 -10.376 15.521 1.00 73.32 ATOM 360 CD1 ILE 22 2.263 -11.475 13.510 1.00 21.22 ATOM 361 HD11 ILE 22 1.943 -10.478 13.780 1.00 33.30 ATOM 362 HD12 ILE 22 1.429 -12.018 13.091 1.00 74.23 ATOM 363 HD13 ILE 22 3.055 -11.413 12.780 1.00 3.41 ATOM 364 C ILE 22 1.235 -13.236 18.166 1.00 62.24 ATOM 365 O ILE 22 1.292 -12.461 19.125 1.00 70.13 ATOM 366 N HIS 23 0.288 -14.165 18.056 1.00 41.12 ATOM 367 HN HIS 23 0.288 -14.754 17.270 1.00 37.49 ATOM 368 CA HIS 23 -0.749 -14.329 19.084 1.00 51.43 ATOM 369 HA HIS 23 -1.027 -13.338 19.419 1.00 54.14 ATOM 370 CB HIS 23 -1.991 -15.002 18.486 1.00 73.24 ATOM 371 HB1 HIS 23 -2.646 -15.317 19.286 1.00 37.49 ATOM 372 HB2 HIS 23 -1.687 -15.869 17.915 1.00 12.01 ATOM 373 CG HIS 23 -2.774 -14.101 17.577 1.00 32.51 ATOM 374 ND1 HIS 23 -3.805 -13.299 18.019 1.00 2.12 ATOM 375 HD1 HIS 23 -4.129 -13.237 18.945 1.00 25.05 ATOM 376 CD2 HIS 23 -2.670 -13.866 16.246 1.00 12.43 ATOM 377 HD2 HIS 23 -1.963 -14.323 15.568 1.00 3.15 ATOM 378 CE1 HIS 23 -4.298 -12.617 17.007 1.00 2.43 ATOM 379 HE1 HIS 23 -5.112 -11.909 17.060 1.00 1.13 ATOM 380 NE2 HIS 23 -3.629 -12.939 15.920 1.00 11.21 ATOM 381 HE2 HIS 23 -3.659 -12.433 15.077 1.00 37.49 ATOM 382 C HIS 23 -0.240 -15.120 20.307 1.00 63.05 ATOM 383 O HIS 23 -0.559 -14.782 21.447 1.00 64.43 ATOM 384 N SER 24 0.565 -16.156 20.072 1.00 64.33 ATOM 385 HN SER 24 0.819 -16.364 19.147 1.00 37.49 ATOM 386 CA SER 24 1.090 -16.993 21.170 1.00 34.10 ATOM 387 HA SER 24 0.255 -17.251 21.806 1.00 31.14 ATOM 388 CB SER 24 1.703 -18.292 20.622 1.00 30.11 ATOM 389 HB1 SER 24 0.938 -18.856 20.108 1.00 37.49 ATOM 390 HB2 SER 24 2.090 -18.881 21.441 1.00 4.23 ATOM 391 OG SER 24 2.760 -18.033 19.713 1.00 31.01 ATOM 392 HG SER 24 2.465 -18.243 18.821 1.00 14.21 ATOM 393 C SER 24 2.130 -16.244 22.019 1.00 30.14 ATOM 394 O SER 24 2.447 -16.657 23.134 1.00 25.43 ATOM 395 N ARG 25 2.637 -15.126 21.496 1.00 11.32 ATOM 396 HN ARG 25 2.354 -14.858 20.596 1.00 37.49 ATOM 397 CA ARG 25 3.626 -14.301 22.210 1.00 2.42 ATOM 398 HA ARG 25 4.411 -14.963 22.547 1.00 25.15 ATOM 399 CB ARG 25 4.244 -13.269 21.245 1.00 34.12 ATOM 400 HB1 ARG 25 4.869 -12.593 21.809 1.00 37.49 ATOM 401 HB2 ARG 25 3.448 -12.704 20.778 1.00 75.20 ATOM 402 CG ARG 25 5.096 -13.899 20.144 1.00 64.22 ATOM 403 HG1 ARG 25 4.533 -14.696 19.681 1.00 37.49 ATOM 404 HG2 ARG 25 5.991 -14.309 20.590 1.00 13.40 ATOM 405 CD ARG 25 5.506 -12.892 19.070 1.00 45.43 ATOM 406 HD1 ARG 25 6.182 -12.172 19.509 1.00 37.49 ATOM 407 HD2 ARG 25 4.621 -12.385 18.713 1.00 42.22 ATOM 408 NE ARG 25 6.174 -13.545 17.937 1.00 3.13 ATOM 409 HE ARG 25 6.444 -14.478 18.053 1.00 31.01 ATOM 410 CZ ARG 25 6.420 -12.974 16.783 1.00 31.11 ATOM 411 NH1 ARG 25 6.135 -11.722 16.587 1.00 42.25 ATOM 412 HH11 ARG 25 5.729 -11.185 17.320 1.00 11.44 ATOM 413 HH12 ARG 25 6.332 -11.296 15.704 1.00 75.02 ATOM 414 NH2 ARG 25 6.993 -13.650 15.841 1.00 62.02 ATOM 415 HH21 ARG 25 7.248 -14.602 15.997 1.00 11.41 ATOM 416 HH22 ARG 25 7.178 -13.222 14.959 1.00 4.25 ATOM 417 C ARG 25 3.031 -13.591 23.451 1.00 31.31 ATOM 418 O ARG 25 3.698 -12.759 24.069 1.00 12.40 ATOM 419 N LYS 26 1.782 -13.909 23.810 1.00 61.13 ATOM 420 HN LYS 26 1.249 -14.478 23.218 1.00 37.49 ATOM 421 CA LYS 26 1.169 -13.400 25.055 1.00 60.12 ATOM 422 HA LYS 26 1.872 -12.721 25.518 1.00 31.24 ATOM 423 CB LYS 26 -0.133 -12.638 24.760 1.00 14.32 ATOM 424 HB1 LYS 26 -0.681 -12.520 25.686 1.00 37.49 ATOM 425 HB2 LYS 26 -0.729 -13.228 24.078 1.00 33.43 ATOM 426 CG LYS 26 0.055 -11.257 24.143 1.00 53.12 ATOM 427 HG1 LYS 26 0.408 -11.369 23.127 1.00 37.49 ATOM 428 HG2 LYS 26 0.785 -10.709 24.723 1.00 31.32 ATOM 429 CD LYS 26 -1.262 -10.480 24.130 1.00 21.52 ATOM 430 HD1 LYS 26 -1.646 -10.428 25.140 1.00 37.49 ATOM 431 HD2 LYS 26 -1.971 -11.005 23.505 1.00 35.13 ATOM 432 CE LYS 26 -1.093 -9.065 23.595 1.00 43.44 ATOM 433 HE1 LYS 26 -0.332 -8.561 24.174 1.00 37.49 ATOM 434 HE2 LYS 26 -2.030 -8.539 23.703 1.00 33.42 ATOM 435 NZ LYS 26 -0.698 -9.050 22.164 1.00 41.10 ATOM 436 HZ1 LYS 26 -0.666 -8.071 21.812 1.00 34.31 ATOM 437 HZ2 LYS 26 -1.385 -9.588 21.596 1.00 2.33 ATOM 438 HZ3 LYS 26 0.243 -9.478 22.047 1.00 32.31 ATOM 439 C LYS 26 0.846 -14.526 26.055 1.00 33.40 ATOM 440 O LYS 26 0.530 -14.257 27.218 1.00 51.22 ATOM 441 N MET 27 0.912 -15.780 25.609 1.00 55.15 ATOM 442 HN MET 27 1.309 -15.959 24.729 1.00 37.49 ATOM 443 CA MET 27 0.428 -16.906 26.424 1.00 51.02 ATOM 444 HA MET 27 0.106 -16.508 27.377 1.00 15.35 ATOM 445 CB MET 27 -0.780 -17.563 25.739 1.00 10.04 ATOM 446 HB1 MET 27 -1.128 -18.384 26.352 1.00 37.49 ATOM 447 HB2 MET 27 -0.468 -17.951 24.780 1.00 70.33 ATOM 448 CG MET 27 -1.949 -16.613 25.509 1.00 33.33 ATOM 449 HG1 MET 27 -1.622 -15.810 24.864 1.00 37.49 ATOM 450 HG2 MET 27 -2.253 -16.204 26.461 1.00 61.45 ATOM 451 SD MET 27 -3.373 -17.424 24.751 1.00 24.23 ATOM 452 CE MET 27 -2.666 -18.019 23.214 1.00 5.45 ATOM 453 HE1 MET 27 -3.433 -18.510 22.633 1.00 24.02 ATOM 454 HE2 MET 27 -1.873 -18.720 23.430 1.00 35.45 ATOM 455 HE3 MET 27 -2.268 -17.186 22.653 1.00 2.25 ATOM 456 C MET 27 1.514 -17.961 26.684 1.00 63.21 ATOM 457 O MET 27 2.534 -18.013 25.995 1.00 22.20 ATOM 458 N ASN 28 1.271 -18.802 27.688 1.00 11.20 ATOM 459 HN ASN 28 0.453 -18.678 28.218 1.00 37.49 ATOM 460 CA ASN 28 2.174 -19.908 28.026 1.00 61.41 ATOM 461 HA ASN 28 3.193 -19.565 27.908 1.00 3.41 ATOM 462 CB ASN 28 1.951 -20.336 29.482 1.00 34.44 ATOM 463 HB1 ASN 28 2.646 -21.129 29.727 1.00 37.49 ATOM 464 HB2 ASN 28 0.942 -20.705 29.593 1.00 10.12 ATOM 465 CG ASN 28 2.156 -19.201 30.469 1.00 52.34 ATOM 466 OD1 ASN 28 3.008 -18.337 30.287 1.00 53.21 ATOM 467 ND2 ASN 28 1.367 -19.185 31.523 1.00 35.31 ATOM 468 HD21 ASN 28 0.700 -19.897 31.613 1.00 52.31 ATOM 469 HD22 ASN 28 1.476 -18.458 32.167 1.00 34.42 ATOM 470 C ASN 28 1.931 -21.109 27.099 1.00 21.40 ATOM 471 O ASN 28 0.820 -21.629 27.029 1.00 53.41 ATOM 472 N LEU 29 2.965 -21.548 26.389 1.00 73.31 ATOM 473 HN LEU 29 3.833 -21.099 26.480 1.00 37.49 ATOM 474 CA LEU 29 2.842 -22.689 25.474 1.00 3.11 ATOM 475 HA LEU 29 1.805 -22.761 25.173 1.00 40.33 ATOM 476 CB LEU 29 3.704 -22.455 24.224 1.00 42.03 ATOM 477 HB1 LEU 29 3.617 -23.321 23.582 1.00 37.49 ATOM 478 HB2 LEU 29 4.736 -22.364 24.538 1.00 5.25 ATOM 479 CG LEU 29 3.338 -21.205 23.400 1.00 3.23 ATOM 480 HG LEU 29 3.495 -20.326 24.012 1.00 12.42 ATOM 481 CD1 LEU 29 4.236 -21.080 22.169 1.00 73.52 ATOM 482 HD11 LEU 29 5.270 -21.027 22.480 1.00 14.23 ATOM 483 HD12 LEU 29 3.981 -20.181 21.628 1.00 50.12 ATOM 484 HD13 LEU 29 4.096 -21.939 21.527 1.00 5.02 ATOM 485 CD2 LEU 29 1.863 -21.236 22.997 1.00 30.11 ATOM 486 HD21 LEU 29 1.248 -21.271 23.884 1.00 33.55 ATOM 487 HD22 LEU 29 1.670 -22.109 22.392 1.00 55.13 ATOM 488 HD23 LEU 29 1.625 -20.347 22.430 1.00 23.41 ATOM 489 C LEU 29 3.244 -24.006 26.155 1.00 24.31 ATOM 490 O LEU 29 3.922 -24.007 27.184 1.00 22.51 ATOM 491 N THR 30 2.803 -25.122 25.578 1.00 33.02 ATOM 492 HN THR 30 2.221 -25.045 24.791 1.00 37.49 ATOM 493 CA THR 30 3.142 -26.461 26.092 1.00 50.22 ATOM 494 HA THR 30 3.198 -26.400 27.169 1.00 62.12 ATOM 495 CB THR 30 2.050 -27.501 25.725 1.00 64.45 ATOM 496 HB THR 30 1.114 -27.188 26.166 1.00 62.52 ATOM 497 OG1 THR 30 2.396 -28.801 26.232 1.00 63.02 ATOM 498 HG1 THR 30 1.759 -29.066 26.910 1.00 12.20 ATOM 499 CG2 THR 30 1.867 -27.590 24.217 1.00 3.32 ATOM 500 HG21 THR 30 1.558 -26.629 23.832 1.00 13.35 ATOM 501 HG22 THR 30 1.112 -28.329 23.989 1.00 21.14 ATOM 502 HG23 THR 30 2.802 -27.878 23.758 1.00 33.11 ATOM 503 C THR 30 4.492 -26.961 25.553 1.00 0.21 ATOM 504 O THR 30 5.083 -26.357 24.653 1.00 12.25 ATOM 505 N ARG 31 4.977 -28.066 26.111 1.00 2.13 ATOM 506 HN ARG 31 4.484 -28.474 26.858 1.00 37.49 ATOM 507 CA ARG 31 6.214 -28.702 25.640 1.00 14.11 ATOM 508 HA ARG 31 6.946 -27.924 25.471 1.00 72.43 ATOM 509 CB ARG 31 6.752 -29.677 26.703 1.00 32.23 ATOM 510 HB1 ARG 31 7.380 -30.409 26.213 1.00 37.49 ATOM 511 HB2 ARG 31 5.914 -30.191 27.152 1.00 22.23 ATOM 512 CG ARG 31 7.569 -29.040 27.833 1.00 3.43 ATOM 513 HG1 ARG 31 8.479 -28.634 27.413 1.00 37.49 ATOM 514 HG2 ARG 31 7.823 -29.808 28.548 1.00 1.41 ATOM 515 CD ARG 31 6.826 -27.923 28.568 1.00 41.43 ATOM 516 HD1 ARG 31 7.167 -27.899 29.595 1.00 37.49 ATOM 517 HD2 ARG 31 5.767 -28.138 28.550 1.00 74.20 ATOM 518 NE ARG 31 7.052 -26.610 27.963 1.00 35.32 ATOM 519 HE ARG 31 7.810 -26.517 27.354 1.00 72.00 ATOM 520 CZ ARG 31 6.327 -25.552 28.213 1.00 10.44 ATOM 521 NH1 ARG 31 5.284 -25.633 28.976 1.00 3.51 ATOM 522 HH11 ARG 31 5.026 -26.508 29.379 1.00 33.14 ATOM 523 HH12 ARG 31 4.736 -24.818 29.156 1.00 45.44 ATOM 524 NH2 ARG 31 6.639 -24.412 27.690 1.00 64.22 ATOM 525 HH21 ARG 31 7.435 -24.335 27.094 1.00 73.33 ATOM 526 HH22 ARG 31 6.078 -23.606 27.884 1.00 40.35 ATOM 527 C ARG 31 5.973 -29.457 24.318 1.00 21.43 ATOM 528 O ARG 31 5.131 -30.356 24.253 1.00 22.04 ATOM 529 N GLY 32 6.714 -29.088 23.274 1.00 41.15 ATOM 530 HN GLY 32 7.366 -28.363 23.381 1.00 37.49 ATOM 531 CA GLY 32 6.569 -29.745 21.976 1.00 63.11 ATOM 532 HA1 GLY 32 6.537 -30.815 22.127 1.00 37.49 ATOM 533 HA2 GLY 32 7.432 -29.507 21.371 1.00 23.10 ATOM 534 C GLY 32 5.311 -29.314 21.221 1.00 5.32 ATOM 535 O GLY 32 4.563 -30.151 20.709 1.00 23.50 ATOM 536 N ILE 33 5.076 -28.005 21.152 1.00 14.55 ATOM 537 HN ILE 33 5.708 -27.388 21.573 1.00 37.49 ATOM 538 CA ILE 33 3.901 -27.461 20.459 1.00 32.21 ATOM 539 HA ILE 33 3.158 -28.248 20.408 1.00 22.04 ATOM 540 CB ILE 33 3.282 -26.278 21.254 1.00 12.31 ATOM 541 HB ILE 33 2.967 -26.661 22.214 1.00 30.22 ATOM 542 CG1 ILE 33 2.051 -25.713 20.525 1.00 62.12 ATOM 543 HG11 ILE 33 1.337 -26.509 20.362 1.00 37.49 ATOM 544 HG12 ILE 33 2.356 -25.310 19.569 1.00 11.44 ATOM 545 CG2 ILE 33 4.318 -25.182 21.517 1.00 35.23 ATOM 546 HG21 ILE 33 5.134 -25.588 22.098 1.00 21.35 ATOM 547 HG22 ILE 33 3.857 -24.372 22.061 1.00 24.11 ATOM 548 HG23 ILE 33 4.698 -24.812 20.576 1.00 65.24 ATOM 549 CD1 ILE 33 1.346 -24.610 21.284 1.00 63.25 ATOM 550 HD11 ILE 33 1.039 -24.978 22.251 1.00 22.41 ATOM 551 HD12 ILE 33 0.477 -24.292 20.728 1.00 54.32 ATOM 552 HD13 ILE 33 2.017 -23.773 21.413 1.00 61.40 ATOM 553 C ILE 33 4.243 -27.022 19.022 1.00 71.21 ATOM 554 O ILE 33 4.888 -25.996 18.800 1.00 31.23 ATOM 555 N ASN 34 3.821 -27.814 18.042 1.00 73.13 ATOM 556 HN ASN 34 3.313 -28.622 18.265 1.00 37.49 ATOM 557 CA ASN 34 4.100 -27.506 16.636 1.00 13.23 ATOM 558 HA ASN 34 5.068 -27.024 16.590 1.00 22.21 ATOM 559 CB ASN 34 4.148 -28.797 15.807 1.00 13.11 ATOM 560 HB1 ASN 34 3.154 -29.218 15.749 1.00 37.49 ATOM 561 HB2 ASN 34 4.802 -29.504 16.299 1.00 62.22 ATOM 562 CG ASN 34 4.657 -28.576 14.392 1.00 25.43 ATOM 563 OD1 ASN 34 4.586 -27.478 13.849 1.00 22.01 ATOM 564 ND2 ASN 34 5.153 -29.622 13.771 1.00 62.12 ATOM 565 HD21 ASN 34 5.171 -30.479 14.247 1.00 44.32 ATOM 566 HD22 ASN 34 5.468 -29.505 12.850 1.00 12.44 ATOM 567 C ASN 34 3.043 -26.543 16.065 1.00 54.34 ATOM 568 O ASN 34 2.020 -26.972 15.523 1.00 73.41 ATOM 569 N LEU 35 3.289 -25.242 16.201 1.00 43.43 ATOM 570 HN LEU 35 4.099 -24.961 16.679 1.00 37.49 ATOM 571 CA LEU 35 2.368 -24.218 15.686 1.00 51.22 ATOM 572 HA LEU 35 1.433 -24.327 16.216 1.00 61.51 ATOM 573 CB LEU 35 2.930 -22.815 15.961 1.00 3.23 ATOM 574 HB1 LEU 35 2.268 -22.089 15.509 1.00 37.49 ATOM 575 HB2 LEU 35 3.897 -22.739 15.480 1.00 35.34 ATOM 576 CG LEU 35 3.101 -22.450 17.445 1.00 63.14 ATOM 577 HG LEU 35 3.766 -23.166 17.909 1.00 73.52 ATOM 578 CD1 LEU 35 3.732 -21.067 17.589 1.00 61.51 ATOM 579 HD11 LEU 35 4.692 -21.055 17.090 1.00 15.32 ATOM 580 HD12 LEU 35 3.871 -20.840 18.636 1.00 23.22 ATOM 581 HD13 LEU 35 3.085 -20.324 17.142 1.00 33.34 ATOM 582 CD2 LEU 35 1.758 -22.510 18.175 1.00 53.13 ATOM 583 HD21 LEU 35 1.070 -21.807 17.729 1.00 14.33 ATOM 584 HD22 LEU 35 1.903 -22.261 19.216 1.00 52.22 ATOM 585 HD23 LEU 35 1.351 -23.508 18.100 1.00 74.51 ATOM 586 C LEU 35 2.097 -24.390 14.179 1.00 22.33 ATOM 587 O LEU 35 1.026 -24.036 13.684 1.00 52.14 ATOM 588 N ARG 36 3.068 -24.941 13.452 1.00 70.23 ATOM 589 HN ARG 36 3.902 -25.205 13.892 1.00 37.49 ATOM 590 CA ARG 36 2.911 -25.171 12.014 1.00 33.21 ATOM 591 HA ARG 36 2.519 -24.261 11.580 1.00 74.40 ATOM 592 CB ARG 36 4.259 -25.484 11.361 1.00 55.40 ATOM 593 HB1 ARG 36 4.667 -26.379 11.811 1.00 37.49 ATOM 594 HB2 ARG 36 4.937 -24.660 11.542 1.00 21.50 ATOM 595 CG ARG 36 4.164 -25.708 9.854 1.00 54.54 ATOM 596 HG1 ARG 36 3.755 -24.819 9.393 1.00 37.49 ATOM 597 HG2 ARG 36 3.508 -26.546 9.666 1.00 24.15 ATOM 598 CD ARG 36 5.525 -26.001 9.241 1.00 32.15 ATOM 599 HD1 ARG 36 5.969 -26.836 9.764 1.00 37.49 ATOM 600 HD2 ARG 36 6.153 -25.130 9.356 1.00 14.44 ATOM 601 NE ARG 36 5.427 -26.328 7.823 1.00 64.54 ATOM 602 HE ARG 36 4.547 -26.261 7.401 1.00 63.11 ATOM 603 CZ ARG 36 6.434 -26.712 7.091 1.00 41.13 ATOM 604 NH1 ARG 36 7.627 -26.783 7.591 1.00 55.12 ATOM 605 HH11 ARG 36 7.782 -26.538 8.544 1.00 71.02 ATOM 606 HH12 ARG 36 8.390 -27.082 7.019 1.00 64.32 ATOM 607 NH2 ARG 36 6.244 -27.007 5.848 1.00 63.21 ATOM 608 HH21 ARG 36 5.329 -26.934 5.455 1.00 4.33 ATOM 609 HH22 ARG 36 7.011 -27.315 5.286 1.00 44.20 ATOM 610 C ARG 36 1.916 -26.306 11.742 1.00 1.02 ATOM 611 O ARG 36 1.078 -26.194 10.855 1.00 74.44 ATOM 612 N LYS 37 2.010 -27.390 12.515 1.00 50.51 ATOM 613 HN LYS 37 2.737 -27.443 13.172 1.00 37.49 ATOM 614 CA LYS 37 1.063 -28.512 12.403 1.00 75.30 ATOM 615 HA LYS 37 1.203 -28.965 11.430 1.00 63.32 ATOM 616 CB LYS 37 1.365 -29.561 13.490 1.00 42.24 ATOM 617 HB1 LYS 37 1.227 -29.106 14.460 1.00 37.49 ATOM 618 HB2 LYS 37 2.399 -29.860 13.396 1.00 61.22 ATOM 619 CG LYS 37 0.506 -30.825 13.438 1.00 3.45 ATOM 620 HG1 LYS 37 1.092 -31.657 13.805 1.00 37.49 ATOM 621 HG2 LYS 37 0.223 -31.014 12.412 1.00 32.10 ATOM 622 CD LYS 37 -0.764 -30.704 14.285 1.00 33.42 ATOM 623 HD1 LYS 37 -1.439 -30.003 13.810 1.00 37.49 ATOM 624 HD2 LYS 37 -0.500 -30.339 15.267 1.00 54.54 ATOM 625 CE LYS 37 -1.466 -32.048 14.426 1.00 34.32 ATOM 626 HE1 LYS 37 -0.762 -32.761 14.830 1.00 37.49 ATOM 627 HE2 LYS 37 -1.786 -32.377 13.450 1.00 3.34 ATOM 628 NZ LYS 37 -2.652 -31.976 15.325 1.00 14.23 ATOM 629 HZ1 LYS 37 -3.318 -31.259 14.987 1.00 2.25 ATOM 630 HZ2 LYS 37 -2.360 -31.731 16.294 1.00 22.30 ATOM 631 HZ3 LYS 37 -3.139 -32.897 15.349 1.00 25.41 ATOM 632 C LYS 37 -0.381 -28.007 12.509 1.00 11.41 ATOM 633 O LYS 37 -1.284 -28.506 11.836 1.00 41.21 ATOM 634 N ILE 38 -0.578 -27.005 13.358 1.00 54.04 ATOM 635 HN ILE 38 0.166 -26.715 13.926 1.00 37.49 ATOM 636 CA ILE 38 -1.868 -26.326 13.476 1.00 34.12 ATOM 637 HA ILE 38 -2.632 -27.074 13.642 1.00 2.32 ATOM 638 CB ILE 38 -1.865 -25.348 14.677 1.00 1.11 ATOM 639 HB ILE 38 -1.147 -24.565 14.470 1.00 35.44 ATOM 640 CG1 ILE 38 -1.442 -26.080 15.961 1.00 51.42 ATOM 641 HG11 ILE 38 -1.474 -25.387 16.791 1.00 37.49 ATOM 642 HG12 ILE 38 -0.431 -26.444 15.845 1.00 15.51 ATOM 643 CG2 ILE 38 -3.234 -24.693 14.853 1.00 43.01 ATOM 644 HG21 ILE 38 -3.475 -24.118 13.969 1.00 32.52 ATOM 645 HG22 ILE 38 -3.212 -24.037 15.712 1.00 2.21 ATOM 646 HG23 ILE 38 -3.985 -25.456 15.002 1.00 54.31 ATOM 647 CD1 ILE 38 -2.320 -27.265 16.310 1.00 2.02 ATOM 648 HD11 ILE 38 -3.337 -26.931 16.452 1.00 20.00 ATOM 649 HD12 ILE 38 -1.962 -27.721 17.222 1.00 12.21 ATOM 650 HD13 ILE 38 -2.287 -27.990 15.509 1.00 51.30 ATOM 651 C ILE 38 -2.191 -25.552 12.188 1.00 70.50 ATOM 652 O ILE 38 -3.281 -25.677 11.629 1.00 71.12 ATOM 653 N ALA 39 -1.219 -24.770 11.716 1.00 75.31 ATOM 654 HN ALA 39 -0.375 -24.715 12.215 1.00 37.49 ATOM 655 CA ALA 39 -1.369 -23.980 10.488 1.00 21.01 ATOM 656 HA ALA 39 -2.224 -23.331 10.620 1.00 43.10 ATOM 657 CB ALA 39 -0.142 -23.096 10.276 1.00 1.03 ATOM 658 HB1 ALA 39 -0.293 -22.471 9.407 1.00 12.11 ATOM 659 HB2 ALA 39 0.731 -23.716 10.125 1.00 51.32 ATOM 660 HB3 ALA 39 0.007 -22.472 11.145 1.00 35.50 ATOM 661 C ALA 39 -1.612 -24.862 9.249 1.00 44.05 ATOM 662 O ALA 39 -2.256 -24.434 8.293 1.00 44.20 ATOM 663 N GLU 40 -1.084 -26.086 9.264 1.00 3.21 ATOM 664 HN GLU 40 -0.560 -26.367 10.041 1.00 37.49 ATOM 665 CA GLU 40 -1.266 -27.030 8.150 1.00 51.14 ATOM 666 HA GLU 40 -1.041 -26.504 7.232 1.00 12.05 ATOM 667 CB GLU 40 -0.303 -28.218 8.288 1.00 23.24 ATOM 668 HB1 GLU 40 -0.497 -28.921 7.488 1.00 37.49 ATOM 669 HB2 GLU 40 -0.488 -28.707 9.235 1.00 24.22 ATOM 670 CG GLU 40 1.172 -27.823 8.232 1.00 20.31 ATOM 671 HG1 GLU 40 1.387 -27.164 9.063 1.00 37.49 ATOM 672 HG2 GLU 40 1.356 -27.297 7.307 1.00 71.04 ATOM 673 CD GLU 40 2.106 -29.018 8.305 1.00 54.20 ATOM 674 OE1 GLU 40 2.425 -29.595 7.244 1.00 53.42 ATOM 675 OE2 GLU 40 2.522 -29.391 9.424 1.00 34.13 ATOM 676 C GLU 40 -2.714 -27.537 8.080 1.00 64.44 ATOM 677 O GLU 40 -3.188 -27.961 7.025 1.00 13.43 ATOM 678 N LEU 41 -3.411 -27.481 9.212 1.00 12.40 ATOM 679 HN LEU 41 -2.963 -27.175 10.030 1.00 37.49 ATOM 680 CA LEU 41 -4.825 -27.866 9.281 1.00 55.15 ATOM 681 HA LEU 41 -4.978 -28.699 8.609 1.00 53.45 ATOM 682 CB LEU 41 -5.178 -28.307 10.710 1.00 14.53 ATOM 683 HB1 LEU 41 -6.226 -28.577 10.734 1.00 37.49 ATOM 684 HB2 LEU 41 -5.028 -27.464 11.371 1.00 51.02 ATOM 685 CG LEU 41 -4.363 -29.495 11.248 1.00 24.33 ATOM 686 HG LEU 41 -3.313 -29.239 11.224 1.00 41.23 ATOM 687 CD1 LEU 41 -4.733 -29.797 12.698 1.00 64.13 ATOM 688 HD11 LEU 41 -4.549 -28.924 13.308 1.00 11.42 ATOM 689 HD12 LEU 41 -4.131 -30.617 13.060 1.00 50.41 ATOM 690 HD13 LEU 41 -5.778 -30.064 12.759 1.00 72.33 ATOM 691 CD2 LEU 41 -4.565 -30.730 10.373 1.00 35.32 ATOM 692 HD21 LEU 41 -3.951 -31.539 10.742 1.00 55.32 ATOM 693 HD22 LEU 41 -4.283 -30.502 9.355 1.00 24.11 ATOM 694 HD23 LEU 41 -5.604 -31.027 10.399 1.00 50.20 ATOM 695 C LEU 41 -5.737 -26.704 8.845 1.00 20.43 ATOM 696 O LEU 41 -6.964 -26.820 8.865 1.00 52.24 ATOM 697 N MET 42 -5.125 -25.584 8.457 1.00 1.21 ATOM 698 HN MET 42 -4.145 -25.553 8.472 1.00 37.49 ATOM 699 CA MET 42 -5.863 -24.397 8.010 1.00 61.13 ATOM 700 HA MET 42 -6.916 -24.564 8.194 1.00 45.04 ATOM 701 CB MET 42 -5.408 -23.169 8.815 1.00 34.04 ATOM 702 HB1 MET 42 -6.021 -22.323 8.538 1.00 37.49 ATOM 703 HB2 MET 42 -4.379 -22.951 8.567 1.00 3.30 ATOM 704 CG MET 42 -5.504 -23.352 10.326 1.00 2.51 ATOM 705 HG1 MET 42 -4.913 -24.211 10.611 1.00 37.49 ATOM 706 HG2 MET 42 -6.536 -23.525 10.592 1.00 3.11 ATOM 707 SD MET 42 -4.909 -21.918 11.244 1.00 4.22 ATOM 708 CE MET 42 -6.053 -20.655 10.699 1.00 54.35 ATOM 709 HE1 MET 42 -5.821 -19.719 11.189 1.00 21.22 ATOM 710 HE2 MET 42 -7.061 -20.949 10.949 1.00 21.50 ATOM 711 HE3 MET 42 -5.967 -20.531 9.629 1.00 62.10 ATOM 712 C MET 42 -5.657 -24.152 6.500 1.00 13.11 ATOM 713 O MET 42 -4.754 -23.413 6.096 1.00 23.53 ATOM 714 N PRO 43 -6.487 -24.781 5.642 1.00 51.53 ATOM 715 CA PRO 43 -6.358 -24.658 4.178 1.00 72.12 ATOM 716 HA PRO 43 -5.349 -24.875 3.857 1.00 53.44 ATOM 717 CB PRO 43 -7.309 -25.744 3.652 1.00 62.12 ATOM 718 HB1 PRO 43 -6.762 -26.664 3.498 1.00 37.49 ATOM 719 HB2 PRO 43 -7.754 -25.426 2.719 1.00 5.31 ATOM 720 CG PRO 43 -8.334 -25.897 4.722 1.00 72.43 ATOM 721 HG1 PRO 43 -8.750 -26.895 4.696 1.00 37.49 ATOM 722 HG2 PRO 43 -9.116 -25.162 4.589 1.00 44.30 ATOM 723 CD PRO 43 -7.609 -25.664 6.024 1.00 24.44 ATOM 724 HD1 PRO 43 -7.241 -26.597 6.427 1.00 37.49 ATOM 725 HD2 PRO 43 -8.261 -25.176 6.737 1.00 74.41 ATOM 726 C PRO 43 -6.770 -23.270 3.650 1.00 70.22 ATOM 727 O PRO 43 -7.925 -22.858 3.789 1.00 72.24 ATOM 728 N GLY 44 -5.818 -22.552 3.044 1.00 3.14 ATOM 729 HN GLY 44 -4.912 -22.923 2.968 1.00 37.49 ATOM 730 CA GLY 44 -6.106 -21.230 2.492 1.00 63.32 ATOM 731 HA1 GLY 44 -6.842 -21.334 1.709 1.00 37.49 ATOM 732 HA2 GLY 44 -5.198 -20.831 2.063 1.00 22.51 ATOM 733 C GLY 44 -6.628 -20.240 3.531 1.00 41.23 ATOM 734 O GLY 44 -7.576 -19.491 3.274 1.00 53.15 ATOM 735 N ALA 45 -6.009 -20.233 4.707 1.00 33.13 ATOM 736 HN ALA 45 -5.252 -20.836 4.848 1.00 37.49 ATOM 737 CA ALA 45 -6.432 -19.352 5.800 1.00 72.24 ATOM 738 HA ALA 45 -7.451 -19.044 5.605 1.00 31.42 ATOM 739 CB ALA 45 -6.419 -20.113 7.120 1.00 71.44 ATOM 740 HB1 ALA 45 -6.801 -19.479 7.908 1.00 45.21 ATOM 741 HB2 ALA 45 -5.407 -20.408 7.356 1.00 11.40 ATOM 742 HB3 ALA 45 -7.039 -20.993 7.035 1.00 51.21 ATOM 743 C ALA 45 -5.554 -18.095 5.903 1.00 33.51 ATOM 744 O ALA 45 -4.455 -18.035 5.344 1.00 22.50 ATOM 745 N SER 46 -6.057 -17.093 6.620 1.00 24.32 ATOM 746 HN SER 46 -6.956 -17.194 7.000 1.00 37.49 ATOM 747 CA SER 46 -5.326 -15.838 6.847 1.00 1.34 ATOM 748 HA SER 46 -4.280 -16.017 6.635 1.00 53.10 ATOM 749 CB SER 46 -5.846 -14.745 5.897 1.00 23.22 ATOM 750 HB1 SER 46 -6.896 -14.572 6.089 1.00 37.49 ATOM 751 HB2 SER 46 -5.721 -15.073 4.875 1.00 61.23 ATOM 752 OG SER 46 -5.140 -13.519 6.068 1.00 21.02 ATOM 753 HG SER 46 -5.775 -12.788 6.080 1.00 10.25 ATOM 754 C SER 46 -5.455 -15.381 8.313 1.00 10.13 ATOM 755 O SER 46 -5.991 -16.106 9.156 1.00 33.32 ATOM 756 N GLY 47 -4.964 -14.176 8.607 1.00 42.22 ATOM 757 HN GLY 47 -4.608 -13.621 7.882 1.00 37.49 ATOM 758 CA GLY 47 -4.947 -13.665 9.978 1.00 1.40 ATOM 759 HA1 GLY 47 -4.579 -12.650 9.958 1.00 37.49 ATOM 760 HA2 GLY 47 -4.262 -14.265 10.558 1.00 14.44 ATOM 761 C GLY 47 -6.308 -13.677 10.675 1.00 61.40 ATOM 762 O GLY 47 -6.390 -13.947 11.873 1.00 23.13 ATOM 763 N ALA 48 -7.376 -13.387 9.931 1.00 33.01 ATOM 764 HN ALA 48 -7.250 -13.158 8.985 1.00 37.49 ATOM 765 CA ALA 48 -8.734 -13.389 10.492 1.00 30.44 ATOM 766 HA ALA 48 -8.750 -12.678 11.308 1.00 43.23 ATOM 767 CB ALA 48 -9.739 -12.921 9.445 1.00 25.14 ATOM 768 HB1 ALA 48 -10.720 -12.843 9.892 1.00 4.40 ATOM 769 HB2 ALA 48 -9.770 -13.631 8.631 1.00 13.42 ATOM 770 HB3 ALA 48 -9.441 -11.954 9.066 1.00 51.22 ATOM 771 C ALA 48 -9.124 -14.774 11.040 1.00 53.14 ATOM 772 O ALA 48 -9.744 -14.881 12.100 1.00 40.43 ATOM 773 N GLU 49 -8.765 -15.833 10.315 1.00 2.31 ATOM 774 HN GLU 49 -8.337 -15.690 9.444 1.00 37.49 ATOM 775 CA GLU 49 -9.012 -17.204 10.777 1.00 73.12 ATOM 776 HA GLU 49 -10.039 -17.250 11.118 1.00 4.41 ATOM 777 CB GLU 49 -8.825 -18.222 9.638 1.00 11.34 ATOM 778 HB1 GLU 49 -8.938 -19.218 10.045 1.00 37.49 ATOM 779 HB2 GLU 49 -7.825 -18.120 9.243 1.00 72.12 ATOM 780 CG GLU 49 -9.814 -18.067 8.480 1.00 33.12 ATOM 781 HG1 GLU 49 -10.791 -17.848 8.888 1.00 37.49 ATOM 782 HG2 GLU 49 -9.861 -19.003 7.940 1.00 54.11 ATOM 783 CD GLU 49 -9.437 -16.961 7.501 1.00 14.13 ATOM 784 OE1 GLU 49 -9.717 -15.779 7.783 1.00 75.14 ATOM 785 OE2 GLU 49 -8.857 -17.273 6.441 1.00 10.23 ATOM 786 C GLU 49 -8.093 -17.559 11.957 1.00 62.45 ATOM 787 O GLU 49 -8.528 -18.177 12.932 1.00 53.11 ATOM 788 N VAL 50 -6.824 -17.156 11.866 1.00 21.24 ATOM 789 HN VAL 50 -6.524 -16.711 11.043 1.00 37.49 ATOM 790 CA VAL 50 -5.865 -17.359 12.962 1.00 43.33 ATOM 791 HA VAL 50 -5.778 -18.424 13.135 1.00 32.24 ATOM 792 CB VAL 50 -4.464 -16.806 12.604 1.00 13.33 ATOM 793 HB VAL 50 -4.559 -15.747 12.402 1.00 64.22 ATOM 794 CG1 VAL 50 -3.496 -16.978 13.775 1.00 0.55 ATOM 795 HG11 VAL 50 -3.414 -18.026 14.027 1.00 63.04 ATOM 796 HG12 VAL 50 -3.864 -16.430 14.631 1.00 63.53 ATOM 797 HG13 VAL 50 -2.522 -16.598 13.499 1.00 34.24 ATOM 798 CG2 VAL 50 -3.922 -17.481 11.344 1.00 13.04 ATOM 799 HG21 VAL 50 -4.594 -17.295 10.518 1.00 3.21 ATOM 800 HG22 VAL 50 -3.843 -18.547 11.509 1.00 74.52 ATOM 801 HG23 VAL 50 -2.946 -17.081 11.110 1.00 51.43 ATOM 802 C VAL 50 -6.356 -16.685 14.254 1.00 63.13 ATOM 803 O VAL 50 -6.209 -17.230 15.353 1.00 22.11 ATOM 804 N LYS 51 -6.939 -15.495 14.107 1.00 43.20 ATOM 805 HN LYS 51 -6.961 -15.087 13.216 1.00 37.49 ATOM 806 CA LYS 51 -7.548 -14.780 15.230 1.00 11.34 ATOM 807 HA LYS 51 -6.763 -14.518 15.927 1.00 72.43 ATOM 808 CB LYS 51 -8.222 -13.495 14.726 1.00 41.53 ATOM 809 HB1 LYS 51 -8.971 -13.765 13.992 1.00 37.49 ATOM 810 HB2 LYS 51 -7.474 -12.878 14.248 1.00 73.52 ATOM 811 CG LYS 51 -8.900 -12.668 15.818 1.00 13.20 ATOM 812 HG1 LYS 51 -8.151 -12.339 16.526 1.00 37.49 ATOM 813 HG2 LYS 51 -9.627 -13.287 16.325 1.00 72.32 ATOM 814 CD LYS 51 -9.611 -11.443 15.240 1.00 42.21 ATOM 815 HD1 LYS 51 -10.158 -10.950 16.033 1.00 37.49 ATOM 816 HD2 LYS 51 -10.304 -11.771 14.478 1.00 42.33 ATOM 817 CE LYS 51 -8.634 -10.449 14.619 1.00 10.04 ATOM 818 HE1 LYS 51 -9.197 -9.697 14.082 1.00 37.49 ATOM 819 HE2 LYS 51 -7.993 -10.976 13.928 1.00 62.42 ATOM 820 NZ LYS 51 -7.789 -9.779 15.644 1.00 52.45 ATOM 821 HZ1 LYS 51 -7.287 -10.486 16.219 1.00 32.43 ATOM 822 HZ2 LYS 51 -8.379 -9.196 16.269 1.00 41.35 ATOM 823 HZ3 LYS 51 -7.086 -9.165 15.183 1.00 11.42 ATOM 824 C LYS 51 -8.572 -15.675 15.944 1.00 24.41 ATOM 825 O LYS 51 -8.581 -15.772 17.171 1.00 23.11 ATOM 826 N GLY 52 -9.415 -16.346 15.161 1.00 33.04 ATOM 827 HN GLY 52 -9.372 -16.214 14.189 1.00 37.49 ATOM 828 CA GLY 52 -10.392 -17.271 15.721 1.00 70.32 ATOM 829 HA1 GLY 52 -11.017 -17.640 14.921 1.00 37.49 ATOM 830 HA2 GLY 52 -11.013 -16.738 16.428 1.00 62.34 ATOM 831 C GLY 52 -9.748 -18.464 16.430 1.00 12.21 ATOM 832 O GLY 52 -10.145 -18.819 17.541 1.00 41.24 ATOM 833 N VAL 53 -8.746 -19.076 15.794 1.00 35.14 ATOM 834 HN VAL 53 -8.452 -18.733 14.921 1.00 37.49 ATOM 835 CA VAL 53 -8.068 -20.252 16.359 1.00 64.22 ATOM 836 HA VAL 53 -8.815 -21.021 16.505 1.00 70.31 ATOM 837 CB VAL 53 -6.994 -20.804 15.384 1.00 63.03 ATOM 838 HB VAL 53 -6.272 -20.020 15.196 1.00 14.35 ATOM 839 CG1 VAL 53 -6.250 -21.993 15.996 1.00 51.42 ATOM 840 HG11 VAL 53 -5.765 -21.686 16.912 1.00 54.42 ATOM 841 HG12 VAL 53 -5.504 -22.351 15.299 1.00 11.24 ATOM 842 HG13 VAL 53 -6.951 -22.788 16.210 1.00 23.45 ATOM 843 CG2 VAL 53 -7.630 -21.192 14.051 1.00 13.12 ATOM 844 HG21 VAL 53 -8.377 -21.956 14.215 1.00 44.05 ATOM 845 HG22 VAL 53 -6.870 -21.571 13.383 1.00 51.31 ATOM 846 HG23 VAL 53 -8.096 -20.324 13.607 1.00 2.23 ATOM 847 C VAL 53 -7.410 -19.941 17.715 1.00 64.45 ATOM 848 O VAL 53 -7.673 -20.612 18.713 1.00 13.24 ATOM 849 N CYS 54 -6.561 -18.917 17.751 1.00 61.32 ATOM 850 HN CYS 54 -6.410 -18.395 16.934 1.00 37.49 ATOM 851 CA CYS 54 -5.840 -18.559 18.982 1.00 73.45 ATOM 852 HA CYS 54 -5.271 -19.428 19.284 1.00 2.14 ATOM 853 CB CYS 54 -4.863 -17.406 18.721 1.00 65.25 ATOM 854 HB1 CYS 54 -4.125 -17.726 17.998 1.00 37.49 ATOM 855 HB2 CYS 54 -4.362 -17.150 19.644 1.00 1.51 ATOM 856 SG CYS 54 -5.635 -15.899 18.085 1.00 15.24 ATOM 857 HG CYS 54 -6.435 -16.242 17.087 1.00 52.34 ATOM 858 C CYS 54 -6.798 -18.187 20.125 1.00 44.53 ATOM 859 O CYS 54 -6.584 -18.572 21.274 1.00 10.20 ATOM 860 N THR 55 -7.859 -17.447 19.804 1.00 1.45 ATOM 861 HN THR 55 -7.969 -17.152 18.875 1.00 37.49 ATOM 862 CA THR 55 -8.857 -17.052 20.809 1.00 21.11 ATOM 863 HA THR 55 -8.334 -16.554 21.614 1.00 42.21 ATOM 864 CB THR 55 -9.897 -16.064 20.226 1.00 0.55 ATOM 865 HB THR 55 -10.454 -16.568 19.447 1.00 42.02 ATOM 866 OG1 THR 55 -9.231 -14.926 19.658 1.00 73.03 ATOM 867 HG1 THR 55 -9.256 -14.992 18.697 1.00 20.42 ATOM 868 CG2 THR 55 -10.873 -15.588 21.298 1.00 35.45 ATOM 869 HG21 THR 55 -11.373 -16.440 21.738 1.00 30.51 ATOM 870 HG22 THR 55 -11.607 -14.934 20.852 1.00 61.15 ATOM 871 HG23 THR 55 -10.333 -15.052 22.065 1.00 3.55 ATOM 872 C THR 55 -9.598 -18.273 21.380 1.00 22.13 ATOM 873 O THR 55 -9.727 -18.421 22.598 1.00 3.42 ATOM 874 N GLU 56 -10.084 -19.149 20.496 1.00 71.44 ATOM 875 HN GLU 56 -9.980 -18.970 19.536 1.00 37.49 ATOM 876 CA GLU 56 -10.765 -20.381 20.922 1.00 51.31 ATOM 877 HA GLU 56 -11.600 -20.092 21.547 1.00 72.33 ATOM 878 CB GLU 56 -11.300 -21.155 19.706 1.00 33.45 ATOM 879 HB1 GLU 56 -11.622 -22.135 20.030 1.00 37.49 ATOM 880 HB2 GLU 56 -10.500 -21.271 18.989 1.00 43.33 ATOM 881 CG GLU 56 -12.473 -20.478 19.004 1.00 44.23 ATOM 882 HG1 GLU 56 -12.703 -21.029 18.101 1.00 37.49 ATOM 883 HG2 GLU 56 -12.185 -19.470 18.741 1.00 61.32 ATOM 884 CD GLU 56 -13.724 -20.420 19.870 1.00 0.22 ATOM 885 OE1 GLU 56 -14.461 -21.430 19.925 1.00 32.14 ATOM 886 OE2 GLU 56 -13.986 -19.362 20.489 1.00 42.23 ATOM 887 C GLU 56 -9.827 -21.273 21.746 1.00 51.34 ATOM 888 O GLU 56 -10.231 -21.836 22.764 1.00 13.20 ATOM 889 N ALA 57 -8.572 -21.384 21.305 1.00 73.31 ATOM 890 HN ALA 57 -8.329 -20.962 20.454 1.00 37.49 ATOM 891 CA ALA 57 -7.547 -22.126 22.050 1.00 50.41 ATOM 892 HA ALA 57 -7.839 -23.168 22.069 1.00 64.23 ATOM 893 CB ALA 57 -6.201 -22.020 21.339 1.00 42.22 ATOM 894 HB1 ALA 57 -6.289 -22.425 20.340 1.00 50.22 ATOM 895 HB2 ALA 57 -5.456 -22.578 21.888 1.00 64.10 ATOM 896 HB3 ALA 57 -5.903 -20.983 21.280 1.00 72.41 ATOM 897 C ALA 57 -7.435 -21.611 23.494 1.00 5.35 ATOM 898 O ALA 57 -7.405 -22.392 24.446 1.00 2.43 ATOM 899 N GLY 58 -7.396 -20.287 23.646 1.00 64.15 ATOM 900 HN GLY 58 -7.379 -19.715 22.848 1.00 37.49 ATOM 901 CA GLY 58 -7.376 -19.681 24.972 1.00 74.11 ATOM 902 HA1 GLY 58 -7.301 -18.611 24.862 1.00 37.49 ATOM 903 HA2 GLY 58 -6.507 -20.039 25.508 1.00 23.35 ATOM 904 C GLY 58 -8.629 -20.001 25.783 1.00 1.34 ATOM 905 O GLY 58 -8.557 -20.241 26.987 1.00 3.00 ATOM 906 N MET 59 -9.783 -20.020 25.117 1.00 15.11 ATOM 907 HN MET 59 -9.779 -19.826 24.154 1.00 37.49 ATOM 908 CA MET 59 -11.054 -20.331 25.783 1.00 62.14 ATOM 909 HA MET 59 -11.136 -19.682 26.640 1.00 54.24 ATOM 910 CB MET 59 -12.242 -20.068 24.843 1.00 24.24 ATOM 911 HB1 MET 59 -13.154 -20.301 25.376 1.00 37.49 ATOM 912 HB2 MET 59 -12.163 -20.725 23.989 1.00 22.03 ATOM 913 CG MET 59 -12.350 -18.629 24.330 1.00 63.22 ATOM 914 HG1 MET 59 -12.846 -18.644 23.370 1.00 37.49 ATOM 915 HG2 MET 59 -11.354 -18.231 24.206 1.00 61.44 ATOM 916 SD MET 59 -13.273 -17.524 25.432 1.00 52.23 ATOM 917 CE MET 59 -12.186 -17.404 26.854 1.00 74.35 ATOM 918 HE1 MET 59 -12.113 -18.371 27.329 1.00 64.24 ATOM 919 HE2 MET 59 -12.586 -16.687 27.554 1.00 2.14 ATOM 920 HE3 MET 59 -11.205 -17.085 26.534 1.00 11.22 ATOM 921 C MET 59 -11.091 -21.789 26.274 1.00 32.03 ATOM 922 O MET 59 -11.607 -22.075 27.358 1.00 34.33 ATOM 923 N TYR 60 -10.543 -22.704 25.477 1.00 42.35 ATOM 924 HN TYR 60 -10.174 -22.425 24.612 1.00 37.49 ATOM 925 CA TYR 60 -10.481 -24.120 25.856 1.00 61.12 ATOM 926 HA TYR 60 -11.472 -24.415 26.171 1.00 4.03 ATOM 927 CB TYR 60 -10.070 -24.982 24.657 1.00 21.45 ATOM 928 HB1 TYR 60 -10.061 -26.022 24.955 1.00 37.49 ATOM 929 HB2 TYR 60 -9.077 -24.696 24.340 1.00 60.14 ATOM 930 CG TYR 60 -10.997 -24.849 23.462 1.00 71.14 ATOM 931 CD1 TYR 60 -10.516 -24.992 22.166 1.00 21.34 ATOM 932 HD1 TYR 60 -9.468 -25.208 22.015 1.00 52.54 ATOM 933 CD2 TYR 60 -12.352 -24.570 23.630 1.00 53.33 ATOM 934 HD2 TYR 60 -12.746 -24.457 24.631 1.00 24.20 ATOM 935 CE1 TYR 60 -11.355 -24.866 21.076 1.00 2.10 ATOM 936 HE1 TYR 60 -10.960 -24.985 20.077 1.00 73.54 ATOM 937 CE2 TYR 60 -13.195 -24.444 22.544 1.00 0.13 ATOM 938 HE2 TYR 60 -14.244 -24.227 22.697 1.00 12.21 ATOM 939 CZ TYR 60 -12.692 -24.589 21.270 1.00 42.11 ATOM 940 OH TYR 60 -13.530 -24.459 20.186 1.00 74.35 ATOM 941 HH TYR 60 -13.971 -23.598 20.224 1.00 52.34 ATOM 942 C TYR 60 -9.516 -24.333 27.029 1.00 23.22 ATOM 943 O TYR 60 -9.746 -25.178 27.898 1.00 41.24 ATOM 944 N ALA 61 -8.444 -23.553 27.055 1.00 22.43 ATOM 945 HN ALA 61 -8.248 -22.988 26.277 1.00 37.49 ATOM 946 CA ALA 61 -7.525 -23.546 28.192 1.00 72.12 ATOM 947 HA ALA 61 -7.207 -24.564 28.368 1.00 25.43 ATOM 948 CB ALA 61 -6.289 -22.713 27.866 1.00 63.23 ATOM 949 HB1 ALA 61 -5.595 -22.755 28.693 1.00 42.42 ATOM 950 HB2 ALA 61 -6.580 -21.686 27.693 1.00 21.24 ATOM 951 HB3 ALA 61 -5.813 -23.106 26.979 1.00 53.31 ATOM 952 C ALA 61 -8.215 -23.014 29.462 1.00 11.15 ATOM 953 O ALA 61 -8.233 -23.678 30.500 1.00 52.31 ATOM 954 N LEU 62 -8.807 -21.822 29.360 1.00 31.00 ATOM 955 HN LEU 62 -8.809 -21.370 28.489 1.00 37.49 ATOM 956 CA LEU 62 -9.444 -21.157 30.509 1.00 74.22 ATOM 957 HA LEU 62 -8.685 -21.049 31.273 1.00 60.14 ATOM 958 CB LEU 62 -9.930 -19.755 30.111 1.00 61.11 ATOM 959 HB1 LEU 62 -10.471 -19.331 30.946 1.00 37.49 ATOM 960 HB2 LEU 62 -10.612 -19.856 29.277 1.00 40.55 ATOM 961 CG LEU 62 -8.818 -18.768 29.710 1.00 50.22 ATOM 962 HG LEU 62 -8.312 -19.145 28.832 1.00 52.25 ATOM 963 CD1 LEU 62 -9.401 -17.402 29.358 1.00 13.42 ATOM 964 HD11 LEU 62 -8.603 -16.738 29.055 1.00 5.24 ATOM 965 HD12 LEU 62 -9.903 -16.989 30.221 1.00 51.42 ATOM 966 HD13 LEU 62 -10.107 -17.508 28.548 1.00 11.22 ATOM 967 CD2 LEU 62 -7.785 -18.641 30.829 1.00 41.30 ATOM 968 HD21 LEU 62 -8.270 -18.287 31.728 1.00 31.23 ATOM 969 HD22 LEU 62 -7.017 -17.941 30.536 1.00 71.44 ATOM 970 HD23 LEU 62 -7.337 -19.605 31.019 1.00 20.10 ATOM 971 C LEU 62 -10.607 -21.973 31.106 1.00 43.03 ATOM 972 O LEU 62 -10.774 -22.011 32.328 1.00 24.13 ATOM 973 N ARG 63 -11.409 -22.625 30.257 1.00 71.54 ATOM 974 HN ARG 63 -11.259 -22.539 29.290 1.00 37.49 ATOM 975 CA ARG 63 -12.519 -23.461 30.748 1.00 30.00 ATOM 976 HA ARG 63 -13.181 -22.824 31.318 1.00 2.14 ATOM 977 CB ARG 63 -13.310 -24.090 29.582 1.00 4.44 ATOM 978 HB1 ARG 63 -13.558 -23.314 28.871 1.00 37.49 ATOM 979 HB2 ARG 63 -14.226 -24.513 29.971 1.00 42.22 ATOM 980 CG ARG 63 -12.547 -25.188 28.847 1.00 3.35 ATOM 981 HG1 ARG 63 -12.128 -25.867 29.577 1.00 37.49 ATOM 982 HG2 ARG 63 -11.744 -24.734 28.286 1.00 3.41 ATOM 983 CD ARG 63 -13.418 -25.986 27.882 1.00 54.43 ATOM 984 HD1 ARG 63 -13.665 -25.365 27.032 1.00 37.49 ATOM 985 HD2 ARG 63 -14.324 -26.285 28.389 1.00 41.13 ATOM 986 NE ARG 63 -12.715 -27.180 27.412 1.00 12.30 ATOM 987 HE ARG 63 -11.756 -27.242 27.606 1.00 63.41 ATOM 988 CZ ARG 63 -13.277 -28.180 26.789 1.00 73.33 ATOM 989 NH1 ARG 63 -14.530 -28.153 26.471 1.00 1.43 ATOM 990 HH11 ARG 63 -15.087 -27.359 26.701 1.00 14.22 ATOM 991 HH12 ARG 63 -14.936 -28.930 25.995 1.00 34.00 ATOM 992 NH2 ARG 63 -12.572 -29.213 26.482 1.00 13.15 ATOM 993 HH21 ARG 63 -11.603 -29.243 26.725 1.00 41.32 ATOM 994 HH22 ARG 63 -12.995 -29.982 26.007 1.00 25.45 ATOM 995 C ARG 63 -11.993 -24.575 31.673 1.00 23.45 ATOM 996 O ARG 63 -12.604 -24.902 32.691 1.00 11.04 ATOM 997 N GLU 64 -10.842 -25.145 31.306 1.00 52.44 ATOM 998 HN GLU 64 -10.405 -24.839 30.480 1.00 37.49 ATOM 999 CA GLU 64 -10.208 -26.214 32.088 1.00 4.40 ATOM 1000 HA GLU 64 -10.973 -26.683 32.691 1.00 71.25 ATOM 1001 CB GLU 64 -9.606 -27.266 31.142 1.00 33.34 ATOM 1002 HB1 GLU 64 -9.082 -28.007 31.729 1.00 37.49 ATOM 1003 HB2 GLU 64 -8.900 -26.780 30.480 1.00 51.22 ATOM 1004 CG GLU 64 -10.650 -27.982 30.288 1.00 3.42 ATOM 1005 HG1 GLU 64 -11.148 -27.250 29.666 1.00 37.49 ATOM 1006 HG2 GLU 64 -11.375 -28.443 30.942 1.00 2.50 ATOM 1007 CD GLU 64 -10.055 -29.058 29.395 1.00 71.45 ATOM 1008 OE1 GLU 64 -10.327 -29.047 28.173 1.00 33.41 ATOM 1009 OE2 GLU 64 -9.318 -29.928 29.916 1.00 34.44 ATOM 1010 C GLU 64 -9.128 -25.651 33.026 1.00 30.42 ATOM 1011 O GLU 64 -8.338 -26.397 33.607 1.00 21.22 ATOM 1012 N ARG 65 -9.116 -24.322 33.166 1.00 10.34 ATOM 1013 HN ARG 65 -9.773 -23.796 32.665 1.00 37.49 ATOM 1014 CA ARG 65 -8.166 -23.610 34.033 1.00 63.11 ATOM 1015 HA ARG 65 -8.304 -22.556 33.841 1.00 54.44 ATOM 1016 CB ARG 65 -8.472 -23.872 35.520 1.00 45.40 ATOM 1017 HB1 ARG 65 -7.680 -23.443 36.118 1.00 37.49 ATOM 1018 HB2 ARG 65 -8.495 -24.940 35.689 1.00 44.15 ATOM 1019 CG ARG 65 -9.803 -23.280 35.997 1.00 40.14 ATOM 1020 HG1 ARG 65 -9.920 -22.293 35.570 1.00 37.49 ATOM 1021 HG2 ARG 65 -9.780 -23.200 37.075 1.00 62.42 ATOM 1022 CD ARG 65 -11.006 -24.136 35.602 1.00 4.41 ATOM 1023 HD1 ARG 65 -10.943 -24.365 34.547 1.00 37.49 ATOM 1024 HD2 ARG 65 -11.910 -23.574 35.794 1.00 11.14 ATOM 1025 NE ARG 65 -11.056 -25.382 36.364 1.00 13.21 ATOM 1026 HE ARG 65 -10.569 -25.409 37.212 1.00 60.44 ATOM 1027 CZ ARG 65 -11.716 -26.449 36.002 1.00 63.41 ATOM 1028 NH1 ARG 65 -12.376 -26.480 34.890 1.00 54.10 ATOM 1029 HH11 ARG 65 -12.385 -25.685 34.290 1.00 70.31 ATOM 1030 HH12 ARG 65 -12.867 -27.310 34.631 1.00 40.11 ATOM 1031 NH2 ARG 65 -11.727 -27.488 36.766 1.00 62.44 ATOM 1032 HH21 ARG 65 -11.230 -27.477 37.628 1.00 32.21 ATOM 1033 HH22 ARG 65 -12.228 -28.305 36.485 1.00 31.25 ATOM 1034 C ARG 65 -6.701 -23.954 33.706 1.00 73.44 ATOM 1035 O ARG 65 -5.817 -23.837 34.561 1.00 62.14 ATOM 1036 N ARG 66 -6.445 -24.345 32.458 1.00 11.13 ATOM 1037 HN ARG 66 -7.193 -24.456 31.835 1.00 37.49 ATOM 1038 CA ARG 66 -5.083 -24.609 31.986 1.00 14.22 ATOM 1039 HA ARG 66 -4.639 -25.342 32.645 1.00 51.41 ATOM 1040 CB ARG 66 -5.107 -25.173 30.552 1.00 23.34 ATOM 1041 HB1 ARG 66 -4.087 -25.305 30.215 1.00 37.49 ATOM 1042 HB2 ARG 66 -5.595 -24.457 29.907 1.00 62.50 ATOM 1043 CG ARG 66 -5.831 -26.512 30.408 1.00 4.04 ATOM 1044 HG1 ARG 66 -6.837 -26.408 30.793 1.00 37.49 ATOM 1045 HG2 ARG 66 -5.303 -27.261 30.982 1.00 3.32 ATOM 1046 CD ARG 66 -5.901 -26.965 28.946 1.00 0.21 ATOM 1047 HD1 ARG 66 -4.902 -26.955 28.532 1.00 37.49 ATOM 1048 HD2 ARG 66 -6.523 -26.274 28.397 1.00 51.11 ATOM 1049 NE ARG 66 -6.458 -28.313 28.805 1.00 24.24 ATOM 1050 HE ARG 66 -6.653 -28.808 29.623 1.00 42.34 ATOM 1051 CZ ARG 66 -6.670 -28.906 27.656 1.00 53.15 ATOM 1052 NH1 ARG 66 -6.492 -28.282 26.537 1.00 41.44 ATOM 1053 HH11 ARG 66 -6.186 -27.326 26.532 1.00 55.42 ATOM 1054 HH12 ARG 66 -6.667 -28.745 25.678 1.00 50.30 ATOM 1055 NH2 ARG 66 -7.089 -30.131 27.631 1.00 21.35 ATOM 1056 HH21 ARG 66 -7.248 -30.618 28.482 1.00 62.41 ATOM 1057 HH22 ARG 66 -7.239 -30.588 26.757 1.00 23.34 ATOM 1058 C ARG 66 -4.233 -23.326 32.016 1.00 61.42 ATOM 1059 O ARG 66 -4.614 -22.305 31.443 1.00 53.24 ATOM 1060 N VAL 67 -3.093 -23.379 32.700 1.00 32.31 ATOM 1061 HN VAL 67 -2.870 -24.198 33.187 1.00 37.49 ATOM 1062 CA VAL 67 -2.168 -22.239 32.755 1.00 72.13 ATOM 1063 HA VAL 67 -2.759 -21.337 32.849 1.00 31.22 ATOM 1064 CB VAL 67 -1.228 -22.334 33.986 1.00 24.42 ATOM 1065 HB VAL 67 -0.577 -23.189 33.849 1.00 54.55 ATOM 1066 CG1 VAL 67 -0.350 -21.090 34.105 1.00 13.20 ATOM 1067 HG11 VAL 67 0.295 -21.184 34.967 1.00 2.20 ATOM 1068 HG12 VAL 67 -0.975 -20.215 34.218 1.00 52.12 ATOM 1069 HG13 VAL 67 0.253 -20.987 33.214 1.00 52.41 ATOM 1070 CG2 VAL 67 -2.034 -22.555 35.265 1.00 23.01 ATOM 1071 HG21 VAL 67 -2.704 -21.720 35.422 1.00 2.33 ATOM 1072 HG22 VAL 67 -1.361 -22.638 36.107 1.00 34.23 ATOM 1073 HG23 VAL 67 -2.609 -23.465 35.176 1.00 33.35 ATOM 1074 C VAL 67 -1.327 -22.148 31.468 1.00 3.42 ATOM 1075 O VAL 67 -0.878 -21.069 31.075 1.00 41.32 ATOM 1076 N HIS 68 -1.127 -23.290 30.812 1.00 45.10 ATOM 1077 HN HIS 68 -1.491 -24.120 31.186 1.00 37.49 ATOM 1078 CA HIS 68 -0.390 -23.338 29.544 1.00 75.41 ATOM 1079 HA HIS 68 -0.094 -22.328 29.294 1.00 4.22 ATOM 1080 CB HIS 68 0.876 -24.204 29.683 1.00 10.42 ATOM 1081 HB1 HIS 68 1.456 -23.841 30.521 1.00 37.49 ATOM 1082 HB2 HIS 68 1.466 -24.109 28.783 1.00 1.42 ATOM 1083 CG HIS 68 0.613 -25.670 29.905 1.00 41.41 ATOM 1084 ND1 HIS 68 0.320 -26.207 31.138 1.00 1.41 ATOM 1085 HD1 HIS 68 0.265 -25.710 31.983 1.00 33.04 ATOM 1086 CD2 HIS 68 0.601 -26.715 29.037 1.00 65.44 ATOM 1087 HD2 HIS 68 0.792 -26.667 27.975 1.00 50.35 ATOM 1088 CE1 HIS 68 0.137 -27.507 31.022 1.00 64.13 ATOM 1089 HE1 HIS 68 -0.106 -28.183 31.828 1.00 33.42 ATOM 1090 NE2 HIS 68 0.303 -27.843 29.760 1.00 2.34 ATOM 1091 HE2 HIS 68 0.428 -28.766 29.444 1.00 37.49 ATOM 1092 C HIS 68 -1.278 -23.876 28.414 1.00 3.05 ATOM 1093 O HIS 68 -1.855 -24.958 28.531 1.00 65.31 ATOM 1094 N VAL 69 -1.388 -23.118 27.328 1.00 53.33 ATOM 1095 HN VAL 69 -0.939 -22.246 27.307 1.00 37.49 ATOM 1096 CA VAL 69 -2.158 -23.552 26.159 1.00 54.51 ATOM 1097 HA VAL 69 -3.120 -23.906 26.509 1.00 62.21 ATOM 1098 CB VAL 69 -2.398 -22.380 25.171 1.00 40.23 ATOM 1099 HB VAL 69 -1.443 -22.088 24.752 1.00 11.40 ATOM 1100 CG1 VAL 69 -3.307 -22.812 24.022 1.00 55.30 ATOM 1101 HG11 VAL 69 -4.258 -23.143 24.415 1.00 51.41 ATOM 1102 HG12 VAL 69 -2.843 -23.622 23.479 1.00 33.32 ATOM 1103 HG13 VAL 69 -3.465 -21.978 23.353 1.00 15.52 ATOM 1104 CG2 VAL 69 -2.986 -21.172 25.900 1.00 53.01 ATOM 1105 HG21 VAL 69 -3.931 -21.444 26.347 1.00 51.03 ATOM 1106 HG22 VAL 69 -3.141 -20.365 25.198 1.00 34.20 ATOM 1107 HG23 VAL 69 -2.303 -20.849 26.672 1.00 15.43 ATOM 1108 C VAL 69 -1.438 -24.701 25.435 1.00 60.10 ATOM 1109 O VAL 69 -0.249 -24.603 25.110 1.00 43.13 ATOM 1110 N THR 70 -2.154 -25.794 25.194 1.00 75.11 ATOM 1111 HN THR 70 -3.113 -25.794 25.408 1.00 37.49 ATOM 1112 CA THR 70 -1.551 -26.995 24.603 1.00 25.42 ATOM 1113 HA THR 70 -0.492 -26.974 24.814 1.00 71.24 ATOM 1114 CB THR 70 -2.132 -28.296 25.213 1.00 14.12 ATOM 1115 HB THR 70 -1.456 -29.112 24.994 1.00 2.14 ATOM 1116 OG1 THR 70 -3.412 -28.588 24.634 1.00 71.34 ATOM 1117 HG1 THR 70 -4.092 -28.072 25.086 1.00 74.52 ATOM 1118 CG2 THR 70 -2.276 -28.179 26.728 1.00 2.41 ATOM 1119 HG21 THR 70 -1.307 -27.989 27.169 1.00 45.13 ATOM 1120 HG22 THR 70 -2.675 -29.102 27.124 1.00 13.22 ATOM 1121 HG23 THR 70 -2.948 -27.367 26.967 1.00 64.34 ATOM 1122 C THR 70 -1.745 -27.051 23.085 1.00 35.43 ATOM 1123 O THR 70 -2.511 -26.276 22.509 1.00 1.13 ATOM 1124 N GLN 71 -1.037 -27.981 22.442 1.00 1.23 ATOM 1125 HN GLN 71 -0.379 -28.504 22.943 1.00 37.49 ATOM 1126 CA GLN 71 -1.203 -28.242 21.009 1.00 12.34 ATOM 1127 HA GLN 71 -0.949 -27.340 20.469 1.00 43.00 ATOM 1128 CB GLN 71 -0.255 -29.378 20.581 1.00 1.43 ATOM 1129 HB1 GLN 71 -0.504 -30.267 21.146 1.00 37.49 ATOM 1130 HB2 GLN 71 0.759 -29.090 20.821 1.00 74.12 ATOM 1131 CG GLN 71 -0.307 -29.730 19.093 1.00 54.24 ATOM 1132 HG1 GLN 71 -1.341 -29.873 18.809 1.00 37.49 ATOM 1133 HG2 GLN 71 0.233 -30.652 18.937 1.00 3.04 ATOM 1134 CD GLN 71 0.296 -28.658 18.195 1.00 73.43 ATOM 1135 OE1 GLN 71 0.268 -27.474 18.503 1.00 45.32 ATOM 1136 NE2 GLN 71 0.856 -29.064 17.074 1.00 51.12 ATOM 1137 HE21 GLN 71 0.861 -30.023 16.876 1.00 11.45 ATOM 1138 HE22 GLN 71 1.234 -28.385 16.481 1.00 72.34 ATOM 1139 C GLN 71 -2.661 -28.624 20.695 1.00 75.11 ATOM 1140 O GLN 71 -3.198 -28.289 19.636 1.00 11.32 ATOM 1141 N GLU 72 -3.291 -29.308 21.651 1.00 50.13 ATOM 1142 HN GLU 72 -2.810 -29.499 22.484 1.00 37.49 ATOM 1143 CA GLU 72 -4.673 -29.776 21.518 1.00 1.52 ATOM 1144 HA GLU 72 -4.734 -30.380 20.624 1.00 73.10 ATOM 1145 CB GLU 72 -5.042 -30.644 22.730 1.00 13.13 ATOM 1146 HB1 GLU 72 -6.056 -30.998 22.610 1.00 37.49 ATOM 1147 HB2 GLU 72 -4.986 -30.037 23.623 1.00 5.14 ATOM 1148 CG GLU 72 -4.131 -31.856 22.918 1.00 74.10 ATOM 1149 HG1 GLU 72 -3.102 -31.519 22.912 1.00 37.49 ATOM 1150 HG2 GLU 72 -4.288 -32.537 22.093 1.00 14.30 ATOM 1151 CD GLU 72 -4.397 -32.597 24.220 1.00 75.23 ATOM 1152 OE1 GLU 72 -5.405 -33.329 24.295 1.00 23.33 ATOM 1153 OE2 GLU 72 -3.601 -32.447 25.173 1.00 42.13 ATOM 1154 C GLU 72 -5.660 -28.603 21.395 1.00 74.32 ATOM 1155 O GLU 72 -6.560 -28.622 20.554 1.00 0.51 ATOM 1156 N ASP 73 -5.479 -27.582 22.235 1.00 42.23 ATOM 1157 HN ASP 73 -4.739 -27.621 22.878 1.00 37.49 ATOM 1158 CA ASP 73 -6.352 -26.400 22.223 1.00 43.22 ATOM 1159 HA ASP 73 -7.352 -26.727 22.475 1.00 21.11 ATOM 1160 CB ASP 73 -5.882 -25.384 23.273 1.00 32.25 ATOM 1161 HB1 ASP 73 -6.497 -24.496 23.211 1.00 37.49 ATOM 1162 HB2 ASP 73 -4.854 -25.114 23.070 1.00 22.45 ATOM 1163 CG ASP 73 -5.965 -25.928 24.689 1.00 2.52 ATOM 1164 OD1 ASP 73 -4.930 -26.366 25.229 1.00 22.23 ATOM 1165 OD2 ASP 73 -7.066 -25.935 25.264 1.00 63.10 ATOM 1166 C ASP 73 -6.386 -25.744 20.832 1.00 73.44 ATOM 1167 O ASP 73 -7.456 -25.423 20.309 1.00 34.55 ATOM 1168 N PHE 74 -5.209 -25.571 20.231 1.00 61.33 ATOM 1169 HN PHE 74 -4.394 -25.869 20.691 1.00 37.49 ATOM 1170 CA PHE 74 -5.098 -24.947 18.907 1.00 0.23 ATOM 1171 HA PHE 74 -5.604 -23.992 18.958 1.00 35.11 ATOM 1172 CB PHE 74 -3.625 -24.698 18.550 1.00 31.20 ATOM 1173 HB1 PHE 74 -3.548 -24.492 17.490 1.00 37.49 ATOM 1174 HB2 PHE 74 -3.053 -25.587 18.775 1.00 41.11 ATOM 1175 CG PHE 74 -2.997 -23.541 19.291 1.00 42.41 ATOM 1176 CD1 PHE 74 -2.191 -23.754 20.400 1.00 53.12 ATOM 1177 HD1 PHE 74 -2.012 -24.765 20.741 1.00 31.53 ATOM 1178 CD2 PHE 74 -3.215 -22.237 18.870 1.00 62.45 ATOM 1179 HD2 PHE 74 -3.840 -22.056 18.007 1.00 13.44 ATOM 1180 CE1 PHE 74 -1.617 -22.689 21.071 1.00 12.55 ATOM 1181 HE1 PHE 74 -0.989 -22.867 21.934 1.00 30.14 ATOM 1182 CE2 PHE 74 -2.644 -21.172 19.538 1.00 72.23 ATOM 1183 HE2 PHE 74 -2.824 -20.162 19.197 1.00 34.23 ATOM 1184 CZ PHE 74 -1.845 -21.397 20.640 1.00 1.31 ATOM 1185 HZ PHE 74 -1.398 -20.564 21.163 1.00 43.41 ATOM 1186 C PHE 74 -5.773 -25.786 17.806 1.00 32.44 ATOM 1187 O PHE 74 -6.609 -25.275 17.061 1.00 70.22 ATOM 1188 N GLU 75 -5.415 -27.067 17.697 1.00 73.34 ATOM 1189 HN GLU 75 -4.758 -27.438 18.327 1.00 37.49 ATOM 1190 CA GLU 75 -5.983 -27.929 16.647 1.00 0.21 ATOM 1191 HA GLU 75 -5.801 -27.435 15.702 1.00 1.03 ATOM 1192 CB GLU 75 -5.285 -29.297 16.617 1.00 4.42 ATOM 1193 HB1 GLU 75 -4.253 -29.151 16.330 1.00 37.49 ATOM 1194 HB2 GLU 75 -5.767 -29.917 15.874 1.00 22.14 ATOM 1195 CG GLU 75 -5.307 -30.043 17.944 1.00 5.13 ATOM 1196 HG1 GLU 75 -6.335 -30.173 18.256 1.00 37.49 ATOM 1197 HG2 GLU 75 -4.783 -29.453 18.684 1.00 1.14 ATOM 1198 CD GLU 75 -4.644 -31.406 17.856 1.00 51.42 ATOM 1199 OE1 GLU 75 -5.369 -32.419 17.800 1.00 61.02 ATOM 1200 OE2 GLU 75 -3.394 -31.468 17.823 1.00 14.45 ATOM 1201 C GLU 75 -7.504 -28.101 16.802 1.00 4.21 ATOM 1202 O GLU 75 -8.234 -28.154 15.808 1.00 21.34 ATOM 1203 N MET 76 -7.987 -28.177 18.043 1.00 20.33 ATOM 1204 HN MET 76 -7.363 -28.208 18.801 1.00 37.49 ATOM 1205 CA MET 76 -9.433 -28.212 18.293 1.00 33.04 ATOM 1206 HA MET 76 -9.850 -29.008 17.690 1.00 42.23 ATOM 1207 CB MET 76 -9.737 -28.492 19.767 1.00 33.32 ATOM 1208 HB1 MET 76 -10.786 -28.304 19.948 1.00 37.49 ATOM 1209 HB2 MET 76 -9.154 -27.816 20.376 1.00 1.31 ATOM 1210 CG MET 76 -9.428 -29.916 20.208 1.00 0.42 ATOM 1211 HG1 MET 76 -8.355 -30.051 20.232 1.00 37.49 ATOM 1212 HG2 MET 76 -9.860 -30.607 19.498 1.00 41.30 ATOM 1213 SD MET 76 -10.093 -30.276 21.846 1.00 44.52 ATOM 1214 CE MET 76 -11.826 -29.887 21.592 1.00 21.34 ATOM 1215 HE1 MET 76 -11.924 -28.859 21.267 1.00 30.33 ATOM 1216 HE2 MET 76 -12.364 -30.023 22.518 1.00 12.11 ATOM 1217 HE3 MET 76 -12.236 -30.542 20.838 1.00 65.43 ATOM 1218 C MET 76 -10.086 -26.889 17.872 1.00 23.12 ATOM 1219 O MET 76 -11.176 -26.876 17.292 1.00 2.03 ATOM 1220 N ALA 77 -9.410 -25.781 18.171 1.00 41.15 ATOM 1221 HN ALA 77 -8.590 -25.852 18.711 1.00 37.49 ATOM 1222 CA ALA 77 -9.855 -24.460 17.732 1.00 72.43 ATOM 1223 HA ALA 77 -10.829 -24.275 18.164 1.00 34.21 ATOM 1224 CB ALA 77 -8.900 -23.389 18.238 1.00 44.00 ATOM 1225 HB1 ALA 77 -7.917 -23.555 17.823 1.00 44.01 ATOM 1226 HB2 ALA 77 -8.845 -23.434 19.316 1.00 44.25 ATOM 1227 HB3 ALA 77 -9.257 -22.415 17.939 1.00 64.41 ATOM 1228 C ALA 77 -9.972 -24.404 16.204 1.00 4.23 ATOM 1229 O ALA 77 -10.935 -23.869 15.666 1.00 30.13 ATOM 1230 N VAL 78 -8.991 -24.980 15.510 1.00 21.01 ATOM 1231 HN VAL 78 -8.208 -25.325 15.991 1.00 37.49 ATOM 1232 CA VAL 78 -9.046 -25.102 14.048 1.00 30.54 ATOM 1233 HA VAL 78 -9.108 -24.106 13.634 1.00 50.34 ATOM 1234 CB VAL 78 -7.772 -25.786 13.487 1.00 12.31 ATOM 1235 HB VAL 78 -7.674 -26.755 13.959 1.00 35.14 ATOM 1236 CG1 VAL 78 -7.880 -26.006 11.977 1.00 33.31 ATOM 1237 HG11 VAL 78 -8.737 -26.629 11.761 1.00 72.42 ATOM 1238 HG12 VAL 78 -6.986 -26.494 11.618 1.00 20.23 ATOM 1239 HG13 VAL 78 -7.993 -25.054 11.479 1.00 62.03 ATOM 1240 CG2 VAL 78 -6.530 -24.967 13.827 1.00 34.54 ATOM 1241 HG21 VAL 78 -6.613 -23.983 13.389 1.00 74.50 ATOM 1242 HG22 VAL 78 -5.652 -25.460 13.436 1.00 3.54 ATOM 1243 HG23 VAL 78 -6.440 -24.876 14.900 1.00 55.35 ATOM 1244 C VAL 78 -10.281 -25.901 13.608 1.00 1.04 ATOM 1245 O VAL 78 -11.050 -25.462 12.753 1.00 52.44 ATOM 1246 N ALA 79 -10.478 -27.065 14.220 1.00 41.21 ATOM 1247 HN ALA 79 -9.824 -27.366 14.887 1.00 37.49 ATOM 1248 CA ALA 79 -11.635 -27.919 13.918 1.00 74.33 ATOM 1249 HA ALA 79 -11.616 -28.136 12.858 1.00 50.34 ATOM 1250 CB ALA 79 -11.518 -29.241 14.671 1.00 2.52 ATOM 1251 HB1 ALA 79 -10.573 -29.711 14.434 1.00 5.33 ATOM 1252 HB2 ALA 79 -12.327 -29.896 14.381 1.00 61.23 ATOM 1253 HB3 ALA 79 -11.570 -29.057 15.736 1.00 72.23 ATOM 1254 C ALA 79 -12.969 -27.222 14.254 1.00 44.34 ATOM 1255 O ALA 79 -14.015 -27.559 13.698 1.00 72.11 ATOM 1256 N LYS 80 -12.927 -26.253 15.167 1.00 45.33 ATOM 1257 HN LYS 80 -12.068 -26.038 15.592 1.00 37.49 ATOM 1258 CA LYS 80 -14.130 -25.507 15.565 1.00 44.43 ATOM 1259 HA LYS 80 -14.978 -26.168 15.458 1.00 64.53 ATOM 1260 CB LYS 80 -14.021 -25.079 17.038 1.00 31.52 ATOM 1261 HB1 LYS 80 -13.220 -24.356 17.128 1.00 37.49 ATOM 1262 HB2 LYS 80 -13.770 -25.948 17.636 1.00 23.00 ATOM 1263 CG LYS 80 -15.296 -24.453 17.618 1.00 65.42 ATOM 1264 HG1 LYS 80 -15.746 -23.820 16.864 1.00 37.49 ATOM 1265 HG2 LYS 80 -15.025 -23.848 18.470 1.00 5.54 ATOM 1266 CD LYS 80 -16.326 -25.500 18.069 1.00 44.45 ATOM 1267 HD1 LYS 80 -17.081 -25.006 18.667 1.00 37.49 ATOM 1268 HD2 LYS 80 -15.825 -26.241 18.675 1.00 51.14 ATOM 1269 CE LYS 80 -17.010 -26.211 16.904 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.255 -26.641 16.262 1.00 37.49 ATOM 1271 HE2 LYS 80 -17.587 -25.489 16.344 1.00 25.33 ATOM 1272 NZ LYS 80 -17.917 -27.292 17.370 1.00 0.11 ATOM 1273 HZ1 LYS 80 -18.671 -26.898 17.970 1.00 23.52 ATOM 1274 HZ2 LYS 80 -17.385 -27.995 17.920 1.00 52.33 ATOM 1275 HZ3 LYS 80 -18.354 -27.770 16.555 1.00 44.50 ATOM 1276 C LYS 80 -14.359 -24.268 14.676 1.00 35.25 ATOM 1277 O LYS 80 -15.499 -23.917 14.364 1.00 45.43 ATOM 1278 N VAL 81 -13.272 -23.604 14.286 1.00 41.25 ATOM 1279 HN VAL 81 -12.396 -23.931 14.571 1.00 37.49 ATOM 1280 CA VAL 81 -13.343 -22.397 13.449 1.00 40.44 ATOM 1281 HA VAL 81 -14.247 -21.862 13.709 1.00 24.32 ATOM 1282 CB VAL 81 -12.133 -21.460 13.713 1.00 25.04 ATOM 1283 HB VAL 81 -11.228 -22.009 13.490 1.00 51.15 ATOM 1284 CG1 VAL 81 -12.176 -20.228 12.806 1.00 61.21 ATOM 1285 HG11 VAL 81 -12.130 -20.538 11.771 1.00 34.44 ATOM 1286 HG12 VAL 81 -11.334 -19.588 13.024 1.00 62.55 ATOM 1287 HG13 VAL 81 -13.094 -19.683 12.976 1.00 23.15 ATOM 1288 CG2 VAL 81 -12.085 -21.051 15.186 1.00 74.55 ATOM 1289 HG21 VAL 81 -11.226 -20.418 15.359 1.00 45.14 ATOM 1290 HG22 VAL 81 -12.009 -21.934 15.805 1.00 43.11 ATOM 1291 HG23 VAL 81 -12.986 -20.512 15.442 1.00 63.23 ATOM 1292 C VAL 81 -13.396 -22.755 11.956 1.00 13.20 ATOM 1293 O VAL 81 -14.310 -22.346 11.241 1.00 23.53 ATOM 1294 N MET 82 -12.408 -23.518 11.489 1.00 55.43 ATOM 1295 HN MET 82 -11.682 -23.778 12.095 1.00 37.49 ATOM 1296 CA MET 82 -12.379 -23.982 10.096 1.00 42.23 ATOM 1297 HA MET 82 -12.575 -23.131 9.459 1.00 21.04 ATOM 1298 CB MET 82 -10.996 -24.557 9.753 1.00 24.55 ATOM 1299 HB1 MET 82 -10.967 -24.789 8.697 1.00 37.49 ATOM 1300 HB2 MET 82 -10.847 -25.470 10.315 1.00 21.33 ATOM 1301 CG MET 82 -9.841 -23.610 10.066 1.00 51.40 ATOM 1302 HG1 MET 82 -8.911 -24.119 9.857 1.00 37.49 ATOM 1303 HG2 MET 82 -9.877 -23.353 11.115 1.00 60.45 ATOM 1304 SD MET 82 -9.893 -22.085 9.097 1.00 22.11 ATOM 1305 CE MET 82 -9.484 -22.697 7.463 1.00 60.44 ATOM 1306 HE1 MET 82 -10.222 -23.422 7.152 1.00 62.32 ATOM 1307 HE2 MET 82 -8.509 -23.163 7.487 1.00 1.40 ATOM 1308 HE3 MET 82 -9.472 -21.874 6.763 1.00 30.03 ATOM 1309 C MET 82 -13.471 -25.039 9.858 1.00 14.13 ATOM 1310 O MET 82 -13.916 -25.249 8.726 1.00 32.23 ATOM 1311 N GLN 83 -13.884 -25.704 10.947 1.00 52.22 ATOM 1312 HN GLN 83 -13.423 -25.539 11.796 1.00 37.49 ATOM 1313 CA GLN 83 -14.999 -26.667 10.928 1.00 54.30 ATOM 1314 HA GLN 83 -15.115 -27.045 11.932 1.00 73.32 ATOM 1315 CB GLN 83 -16.300 -25.957 10.519 1.00 75.41 ATOM 1316 HB1 GLN 83 -17.107 -26.678 10.523 1.00 37.49 ATOM 1317 HB2 GLN 83 -16.184 -25.570 9.516 1.00 54.02 ATOM 1318 CG GLN 83 -16.689 -24.800 11.434 1.00 44.22 ATOM 1319 HG1 GLN 83 -15.893 -24.068 11.431 1.00 37.49 ATOM 1320 HG2 GLN 83 -16.822 -25.180 12.437 1.00 44.53 ATOM 1321 CD GLN 83 -17.975 -24.121 11.000 1.00 44.43 ATOM 1322 OE1 GLN 83 -17.966 -23.184 10.208 1.00 2.53 ATOM 1323 NE2 GLN 83 -19.092 -24.591 11.511 1.00 44.20 ATOM 1324 HE21 GLN 83 -19.036 -25.342 12.134 1.00 35.34 ATOM 1325 HE22 GLN 83 -19.933 -24.164 11.247 1.00 5.04 ATOM 1326 C GLN 83 -14.722 -27.859 9.996 1.00 44.52 ATOM 1327 O GLN 83 -15.617 -28.339 9.297 1.00 25.53 ATOM 1328 N LYS 84 -13.487 -28.355 10.012 1.00 40.52 ATOM 1329 HN LYS 84 -12.832 -27.980 10.636 1.00 37.49 ATOM 1330 CA LYS 84 -13.084 -29.454 9.126 1.00 42.02 ATOM 1331 HA LYS 84 -13.983 -29.886 8.705 1.00 25.42 ATOM 1332 CB LYS 84 -12.218 -28.912 7.978 1.00 40.54 ATOM 1333 HB1 LYS 84 -11.857 -29.744 7.389 1.00 37.49 ATOM 1334 HB2 LYS 84 -11.371 -28.387 8.399 1.00 0.02 ATOM 1335 CG LYS 84 -12.964 -27.956 7.050 1.00 24.03 ATOM 1336 HG1 LYS 84 -13.346 -27.130 7.635 1.00 37.49 ATOM 1337 HG2 LYS 84 -13.789 -28.486 6.597 1.00 3.25 ATOM 1338 CD LYS 84 -12.068 -27.405 5.943 1.00 53.32 ATOM 1339 HD1 LYS 84 -11.629 -28.233 5.402 1.00 37.49 ATOM 1340 HD2 LYS 84 -11.284 -26.810 6.390 1.00 0.22 ATOM 1341 CE LYS 84 -12.855 -26.536 4.967 1.00 22.22 ATOM 1342 HE1 LYS 84 -13.572 -27.156 4.447 1.00 37.49 ATOM 1343 HE2 LYS 84 -12.169 -26.108 4.250 1.00 11.33 ATOM 1344 NZ LYS 84 -13.577 -25.434 5.657 1.00 53.12 ATOM 1345 HZ1 LYS 84 -14.292 -25.822 6.304 1.00 23.13 ATOM 1346 HZ2 LYS 84 -14.052 -24.826 4.960 1.00 65.45 ATOM 1347 HZ3 LYS 84 -12.912 -24.853 6.203 1.00 11.33 ATOM 1348 C LYS 84 -12.322 -30.558 9.877 1.00 64.43 ATOM 1349 O LYS 84 -11.279 -30.308 10.486 1.00 54.12 ATOM 1350 N ASP 85 -12.864 -31.774 9.834 1.00 52.43 ATOM 1351 HN ASP 85 -13.755 -31.879 9.436 1.00 37.49 ATOM 1352 CA ASP 85 -12.186 -32.958 10.377 1.00 21.14 ATOM 1353 HA ASP 85 -11.736 -32.679 11.321 1.00 34.31 ATOM 1354 CB ASP 85 -13.214 -34.072 10.624 1.00 32.34 ATOM 1355 HB1 ASP 85 -13.777 -34.240 9.715 1.00 37.49 ATOM 1356 HB2 ASP 85 -13.896 -33.756 11.402 1.00 22.14 ATOM 1357 CG ASP 85 -12.583 -35.388 11.052 1.00 32.50 ATOM 1358 OD1 ASP 85 -12.249 -35.539 12.248 1.00 4.13 ATOM 1359 OD2 ASP 85 -12.440 -36.288 10.196 1.00 60.34 ATOM 1360 C ASP 85 -11.078 -33.436 9.418 1.00 43.13 ATOM 1361 O ASP 85 -9.958 -33.740 9.839 1.00 60.32 ATOM 1362 N SER 86 -11.409 -33.503 8.128 1.00 41.42 ATOM 1363 HN SER 86 -12.335 -33.324 7.869 1.00 37.49 ATOM 1364 HA SER 86 -9.501 -33.338 7.330 1.00 54.53 ATOM 1365 CB SER 86 -10.167 -35.359 7.047 1.00 71.13 ATOM 1366 HB1 SER 86 -9.786 -35.675 8.008 1.00 37.49 ATOM 1367 HB2 SER 86 -9.435 -35.579 6.285 1.00 10.23 ATOM 1368 OG SER 86 -11.351 -36.094 6.763 1.00 23.33 ATOM 1369 HG SER 86 -11.622 -35.919 5.850 1.00 75.45 ATOM 1370 CA SER 86 -10.428 -33.842 7.081 1.00 1.24 ATOM 1371 C SER 86 -10.890 -33.340 5.696 1.00 42.32 ATOM 1372 OT1 SER 86 -11.417 -34.148 4.893 1.00 37.49 ATOM 1373 OT2 SER 86 -10.735 -32.129 5.418 1.00 37.49 ATOM 1374 OH2 TIP3 1 -18.348 -40.403 7.025 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -18.786 -39.990 7.775 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -17.568 -40.851 7.418 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.104 -32.464 5.982 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.165 -32.354 6.188 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.384 -33.228 6.530 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -17.813 -29.330 6.092 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.856 -29.220 5.867 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.123 -30.020 5.467 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -10.470 -41.651 7.424 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -10.634 -41.354 6.523 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -9.811 -41.017 7.772 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -16.101 -41.556 8.112 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -15.574 -41.383 8.928 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -15.926 -42.483 7.913 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -14.093 -38.316 9.744 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -14.080 -38.519 8.780 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -13.395 -37.618 9.854 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -15.276 -29.260 5.175 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -14.630 -29.976 5.355 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -15.583 -29.436 4.263 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -18.080 -31.486 4.391 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -18.819 -32.003 4.768 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -17.278 -31.880 4.813 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -14.986 -34.978 2.651 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -15.206 -35.681 2.034 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -15.036 -35.403 3.531 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -14.594 -39.355 7.206 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -15.110 -40.143 7.468 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -15.045 -39.034 6.396 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.101 -34.555 7.501 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -16.974 -34.381 8.456 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -16.942 -35.504 7.413 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -19.629 -27.246 5.179 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -19.864 -26.660 5.929 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -19.026 -27.900 5.566 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -19.257 -32.939 6.494 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -18.668 -33.686 6.698 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -19.070 -32.291 7.197 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -21.268 -27.188 3.024 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -21.510 -28.109 2.923 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -20.627 -27.187 3.775 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -16.698 -29.661 2.863 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -17.291 -30.268 3.364 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -16.625 -30.070 1.996 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -13.658 -37.920 12.665 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -13.104 -37.110 12.565 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -13.841 -38.193 11.748 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -17.535 -38.555 11.974 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -18.431 -38.653 12.316 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -17.039 -38.134 12.715 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -18.554 -33.736 14.603 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -19.290 -33.274 15.014 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -17.793 -33.558 15.199 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -16.049 -40.888 12.229 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -15.470 -41.011 11.445 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.590 -40.106 12.008 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -16.630 -37.244 9.713 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -17.070 -37.693 10.464 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -15.754 -37.673 9.659 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.794 -31.997 9.574 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -15.989 -32.940 9.753 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.169 -31.526 10.352 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -11.561 -28.189 2.239 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -11.301 -28.975 2.762 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -12.098 -28.558 1.508 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -13.438 -32.892 3.444 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -14.034 -33.609 3.121 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -12.715 -33.371 3.912 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -20.108 -30.442 9.977 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.956 -31.009 10.745 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.408 -30.714 9.335 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -16.597 -34.584 10.224 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.603 -35.539 9.983 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -16.764 -34.586 11.196 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -12.651 -29.468 0.045 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -12.420 -30.356 0.406 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -13.421 -29.633 -0.507 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -12.254 -31.966 1.165 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -12.839 -32.194 1.920 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -11.832 -32.823 0.928 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -14.827 -41.448 14.558 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -15.295 -41.268 13.706 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -15.084 -42.348 14.782 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.956 -39.841 4.402 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.770 -40.049 3.937 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.153 -40.063 5.343 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -14.797 -31.063 14.876 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -14.455 -31.900 14.492 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -14.160 -30.851 15.590 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.920 -35.075 12.879 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.683 -35.892 13.368 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.588 -34.639 13.451 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -16.049 -37.449 13.976 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -16.036 -37.997 14.798 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -15.155 -37.578 13.591 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -11.141 -34.463 1.346 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -10.266 -34.509 1.775 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -11.627 -35.216 1.719 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.280 -36.197 3.429 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -11.902 -35.384 3.837 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -13.151 -36.296 3.864 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.514 -36.290 5.057 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -14.924 -37.183 5.031 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.394 -36.109 6.016 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -15.489 -38.810 4.683 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -16.403 -39.137 4.490 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -14.915 -39.376 4.146 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -13.734 -35.867 7.715 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -12.803 -35.981 7.419 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -13.673 -35.895 8.685 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.765 -28.182 12.974 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.851 -28.489 13.165 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -18.792 -28.100 11.995 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -18.104 -31.080 8.273 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -17.897 -30.485 7.525 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.225 -31.382 8.590 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -10.559 -22.669 4.177 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -9.582 -22.646 4.124 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -10.850 -22.414 3.276 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -12.304 -33.758 19.360 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -11.837 -33.310 18.627 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -11.816 -33.472 20.163 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -14.558 -28.686 22.680 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -15.353 -28.220 23.014 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -14.323 -28.199 21.868 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -13.020 -36.079 18.146 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -13.977 -36.025 18.025 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -12.807 -35.303 18.718 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -13.287 -28.328 18.107 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -12.588 -27.754 17.733 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -13.075 -29.224 17.758 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -13.106 -30.878 17.169 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -12.324 -31.464 17.281 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -13.828 -31.344 17.653 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -14.856 -30.413 24.784 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -14.616 -29.972 23.935 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -14.172 -31.108 24.897 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.563 -30.027 24.585 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -18.096 -30.850 24.655 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -16.633 -30.334 24.695 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -15.623 -39.222 15.989 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -14.883 -39.097 16.624 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -15.428 -40.079 15.565 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.108 -31.995 21.903 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -18.500 -32.233 22.764 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.593 -31.200 21.636 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -20.205 -31.081 27.607 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -19.564 -30.395 27.312 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -20.969 -30.567 27.924 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -15.933 -29.154 18.148 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -15.864 -30.136 18.106 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -15.003 -28.850 18.126 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -14.083 -33.707 14.292 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -14.274 -34.242 13.508 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -13.175 -33.974 14.548 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -12.577 -31.798 25.469 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -11.674 -31.483 25.691 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -12.530 -32.766 25.619 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -18.223 -31.116 29.570 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -17.335 -31.158 29.142 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -18.850 -31.292 28.837 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -15.914 -32.949 20.582 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -16.719 -32.658 21.071 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.328 -33.278 21.267 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -13.415 -33.009 31.274 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -14.292 -33.401 31.070 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.432 -32.139 30.822 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -15.445 -31.875 18.145 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -15.865 -32.500 17.519 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.584 -32.294 19.031 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.070 -24.119 30.440 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -17.376 -24.472 29.876 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -18.173 -23.183 30.139 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -19.571 -31.910 24.282 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -20.181 -32.157 24.991 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -20.043 -31.209 23.790 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -10.554 -35.918 16.941 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -10.801 -35.453 16.115 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -11.406 -36.037 17.409 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -13.263 -38.723 17.225 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -12.684 -38.857 16.458 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -12.987 -37.862 17.590 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -18.810 -29.581 16.063 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -19.261 -30.009 15.308 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -19.526 -29.415 16.702 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -22.474 -28.994 15.729 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -22.016 -29.659 15.189 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -22.936 -28.432 15.074 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -17.014 -31.180 11.874 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -17.290 -31.852 12.509 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -16.698 -30.440 12.428 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -20.268 -31.400 33.093 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -19.952 -30.961 33.922 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -21.055 -31.885 33.368 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -16.189 -29.099 13.566 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.867 -29.799 14.179 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.460 -28.445 13.555 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -16.239 -33.182 15.875 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -16.040 -32.259 15.624 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.535 -33.702 15.433 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -15.623 -31.627 28.849 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -14.847 -31.140 29.189 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -15.640 -32.447 29.374 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.042 -33.698 30.679 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.599 -33.176 31.299 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -16.619 -34.413 30.388 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -20.644 -28.028 17.452 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -21.504 -28.369 17.105 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.861 -27.676 18.331 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.168 -32.209 33.942 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -14.115 -32.026 34.138 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -13.188 -32.643 33.064 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -10.877 -32.534 17.362 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -9.947 -32.294 17.587 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -10.791 -33.083 16.568 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -10.667 -32.994 21.386 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -10.388 -32.118 21.715 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -10.554 -33.586 22.150 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -10.080 -30.989 26.340 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -9.233 -31.028 25.860 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -9.968 -30.232 26.972 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -8.371 -37.143 15.677 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -9.015 -36.698 16.263 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -8.915 -37.746 15.140 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -9.983 -38.916 14.101 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -9.516 -39.759 14.055 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -10.922 -39.171 14.259 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -9.849 -32.318 28.752 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -10.102 -32.015 27.858 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -9.658 -31.480 29.241 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.598 -39.679 14.488 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.014 -39.075 13.834 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.246 -40.406 14.585 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -21.748 -29.073 28.834 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -22.625 -28.948 29.211 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -21.163 -29.198 29.616 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -16.397 -26.243 25.971 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.329 -26.586 25.056 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -17.328 -25.956 26.042 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.660 -24.165 14.669 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -20.216 -24.119 13.864 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -19.627 -25.128 14.881 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.340 -30.626 37.610 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -13.447 -30.902 37.922 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -14.762 -31.453 37.345 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -11.850 -31.428 38.344 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -12.113 -32.242 38.842 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -10.872 -31.397 38.437 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -13.360 -32.244 42.115 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -12.921 -31.372 42.000 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -13.841 -32.158 42.943 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -12.663 -29.776 32.627 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -11.690 -29.727 32.750 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -12.950 -30.428 33.292 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -17.423 -27.829 36.684 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -17.197 -26.916 36.992 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -18.195 -27.695 36.099 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.120 -28.711 34.418 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -16.462 -28.405 35.286 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -16.720 -28.310 33.775 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -19.411 -30.071 35.290 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -19.341 -29.126 35.039 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.032 -30.107 36.177 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -15.796 -31.448 34.105 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -15.961 -30.486 34.167 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.467 -31.764 33.467 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -12.673 -33.540 39.827 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.006 -33.091 40.642 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -12.507 -34.443 40.110 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -13.772 -28.090 43.413 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -13.877 -27.783 44.337 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.459 -27.604 42.919 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -20.065 -29.560 30.944 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -20.190 -30.192 31.683 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.317 -29.941 30.430 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.621 -29.053 35.473 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -13.904 -29.639 36.205 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.413 -28.997 34.896 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.730 -32.036 32.112 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -18.608 -31.952 32.537 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -17.866 -31.661 31.212 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -10.693 -33.528 31.065 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -10.480 -33.195 30.167 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -11.664 -33.392 31.148 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -12.212 -29.764 41.965 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -12.749 -29.155 42.529 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -11.286 -29.627 42.277 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -7.998 -32.770 36.718 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -7.071 -32.700 36.386 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -8.507 -33.029 35.940 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -20.342 -27.017 31.990 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -20.621 -26.421 31.262 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -20.251 -27.893 31.559 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.921 -11.621 -14.426 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.396 -10.801 -14.711 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.180 -12.280 -15.079 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -12.155 -7.695 -9.580 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -12.953 -7.930 -10.103 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -11.435 -7.668 -10.245 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -11.325 -11.799 -6.728 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -11.830 -12.631 -6.854 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -11.490 -11.292 -7.555 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.053 -11.370 -11.643 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -15.237 -11.662 -11.197 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -15.962 -11.703 -12.556 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -19.443 -9.306 -7.270 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -20.014 -8.570 -7.568 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -18.990 -8.949 -6.476 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -9.669 -10.303 -10.791 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -9.768 -9.401 -11.145 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -9.683 -10.869 -11.571 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.592 -9.569 -9.194 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -17.011 -10.313 -8.924 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -18.297 -9.558 -8.510 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -21.090 -10.055 -9.457 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -20.887 -10.781 -10.053 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -20.529 -10.218 -8.678 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.254 -8.652 -11.083 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -13.927 -9.208 -11.827 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.210 -8.550 -11.273 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -15.729 -11.308 -8.126 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -15.770 -12.045 -7.484 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -15.148 -11.647 -8.841 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.562 -19.082 -1.317 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -16.527 -18.306 -0.736 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -16.385 -18.724 -2.200 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.874 -16.216 -0.954 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.392 -15.414 -0.734 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.290 -16.347 -0.171 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -11.807 -10.264 -14.961 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -11.316 -11.102 -15.104 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -12.006 -9.947 -15.867 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -13.819 -12.056 -9.980 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -13.140 -11.419 -9.665 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -13.317 -12.852 -10.182 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -14.867 -8.654 -8.408 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.502 -8.825 -9.294 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -15.217 -9.521 -8.123 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -13.005 -13.949 -7.008 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.735 -14.561 -7.733 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.985 -13.912 -7.077 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -10.262 -15.180 -5.840 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -10.934 -15.811 -6.124 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -9.887 -14.840 -6.677 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.742 -13.753 -6.650 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.669 -14.131 -5.742 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.612 -14.037 -6.953 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -25.611 -6.592 -12.704 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -26.071 -7.451 -12.833 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -26.303 -5.998 -12.405 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -20.364 -5.572 -12.895 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -19.966 -6.163 -13.547 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -21.330 -5.610 -13.093 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -16.927 -8.795 -11.656 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -16.637 -9.706 -11.897 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -17.470 -8.932 -10.849 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.538 -21.804 4.705 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -18.237 -22.478 4.826 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -17.374 -21.800 3.739 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -12.297 -15.579 4.987 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -12.800 -16.423 4.996 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -12.779 -15.025 4.346 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -12.467 -23.087 6.143 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -12.557 -22.290 6.710 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -11.851 -22.804 5.427 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -22.691 -29.697 9.469 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -21.758 -29.962 9.633 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -23.066 -30.440 8.985 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -16.522 -12.030 1.491 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -15.816 -12.169 2.158 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -16.946 -11.188 1.764 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.306 -9.647 2.859 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.967 -9.248 2.261 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -13.588 -10.573 2.944 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -17.666 -27.429 7.994 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -16.927 -27.840 8.499 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -17.862 -28.080 7.288 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -14.469 -12.300 3.419 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -14.486 -13.278 3.320 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -14.180 -12.161 4.335 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -14.523 -15.102 3.269 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -14.524 -15.532 2.388 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.671 -15.842 3.890 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.758 -19.008 2.171 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -16.133 -19.859 1.882 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -15.677 -19.106 3.138 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -12.696 -12.206 6.368 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -12.079 -12.902 6.632 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -13.441 -12.299 6.996 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.279 -21.598 -0.533 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -16.947 -20.707 -0.794 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -18.050 -21.733 -1.089 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -13.510 -21.749 3.422 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -13.951 -22.605 3.612 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -12.843 -21.971 2.745 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -22.256 -8.873 -0.029 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -22.865 -8.422 0.562 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -22.839 -9.298 -0.696 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -19.523 -8.917 0.034 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.374 -8.543 -0.838 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -20.504 -8.984 0.102 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -15.102 -17.475 -3.202 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -15.361 -16.980 -2.386 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.322 -17.972 -2.939 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -22.548 -20.011 11.066 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -23.091 -19.218 11.066 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -21.703 -19.726 11.466 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -15.335 -20.152 10.326 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -14.862 -19.968 9.505 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.010 -21.042 10.596 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -21.285 -24.458 3.033 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -22.070 -24.210 2.542 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -21.271 -25.441 2.982 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -12.430 -11.018 13.186 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -12.635 -11.119 14.140 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -13.287 -11.156 12.741 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -19.408 -23.897 4.946 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -19.823 -24.406 5.670 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -20.044 -23.988 4.197 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.440 -25.451 7.166 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -21.052 -26.033 7.671 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.390 -24.636 7.704 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.030 -20.547 10.114 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.944 -21.520 10.118 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.107 -20.226 10.147 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.422 -24.631 0.886 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -15.789 -25.484 1.214 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.977 -24.408 0.131 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -15.665 -10.615 -0.699 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.297 -10.512 -1.452 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.099 -11.265 -0.107 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.630 -19.106 15.824 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.314 -20.026 15.722 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -16.903 -18.561 15.447 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -14.939 -11.199 11.811 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -15.685 -11.283 12.446 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -14.811 -12.113 11.473 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -11.655 -17.291 1.744 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -10.906 -16.857 2.171 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -11.840 -18.070 2.316 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.410 -20.045 4.763 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -16.219 -20.574 4.945 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -14.777 -20.697 4.402 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -14.065 -17.642 4.584 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -13.399 -18.188 4.109 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -14.711 -18.300 4.917 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -12.439 -15.080 10.682 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -12.264 -15.171 9.728 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -11.560 -15.104 11.091 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -14.337 -16.875 1.157 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -14.806 -17.679 1.492 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -13.386 -17.075 1.300 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -17.038 -25.168 4.475 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.763 -25.253 5.411 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -17.918 -24.733 4.524 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -17.081 -10.402 -2.997 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -17.682 -10.051 -3.664 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -17.142 -11.382 -3.107 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -16.406 -26.783 2.314 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -16.555 -27.723 2.517 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -16.781 -26.309 3.087 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -12.251 -20.949 7.907 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -12.118 -20.027 7.661 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -11.444 -21.184 8.400 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.328 -10.103 9.196 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -15.330 -10.872 8.614 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -15.365 -10.480 10.091 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -16.978 -13.105 -2.936 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.468 -13.799 -3.402 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -17.134 -13.479 -2.045 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.368 -13.948 -0.304 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.057 -13.300 0.370 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -18.268 -14.158 -0.030 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -14.465 -13.239 8.273 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.747 -13.357 9.199 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -13.796 -13.937 8.138 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -21.319 -22.461 10.878 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -21.903 -21.671 10.818 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -20.975 -22.574 9.965 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -15.785 -15.826 17.462 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.863 -16.730 17.849 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -16.645 -15.404 17.662 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -15.342 -14.926 -4.211 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -14.406 -14.706 -4.030 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.403 -15.887 -4.011 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -21.551 -26.829 11.474 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -21.436 -25.934 11.856 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -20.666 -27.057 11.119 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -22.070 -27.059 8.770 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -22.409 -27.974 8.758 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -22.077 -26.820 9.715 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.959 -22.979 8.480 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.142 -23.098 9.011 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -19.714 -22.322 7.813 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -15.707 -19.785 13.176 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -15.606 -19.857 12.205 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -15.620 -18.838 13.355 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -19.934 -20.200 11.982 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -20.254 -21.114 11.886 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -19.206 -20.134 11.319 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -19.216 -27.796 10.289 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -19.564 -28.693 10.096 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -18.801 -27.515 9.444 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -20.513 -30.113 13.917 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -19.942 -29.445 13.485 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -21.283 -30.197 13.308 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -22.719 -29.770 12.343 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -22.830 -29.580 11.393 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -23.200 -29.047 12.789 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -27.095 -8.877 -12.931 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -26.773 -9.691 -12.528 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -27.930 -9.128 -13.338 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -10.770 -10.162 5.768 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -11.522 -10.780 5.880 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -10.150 -10.411 6.470 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -13.506 -18.299 16.560 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -14.229 -18.254 17.219 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -12.830 -18.837 16.988 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -9.429 -15.388 -1.431 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -8.750 -15.262 -0.756 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -10.196 -15.707 -0.940 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -7.180 -16.881 2.926 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -7.493 -17.796 3.056 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -7.903 -16.330 3.279 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -12.263 -14.964 7.728 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -11.313 -15.219 7.850 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -12.439 -15.165 6.787 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -12.597 -14.180 -4.318 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -12.779 -14.092 -5.279 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -11.711 -14.570 -4.282 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -12.232 -19.306 3.466 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -12.638 -20.199 3.517 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -11.422 -19.376 4.030 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -16.608 -21.766 2.094 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -16.954 -21.757 1.172 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -15.870 -22.390 2.062 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -9.863 -19.202 4.772 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -9.515 -18.555 5.426 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -9.090 -19.429 4.226 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -11.198 -21.847 1.640 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -10.533 -22.285 1.056 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -11.308 -20.970 1.254 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -17.672 -9.525 1.906 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -18.206 -9.405 2.699 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -18.296 -9.322 1.163 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -13.508 -8.805 10.925 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -13.997 -8.825 10.084 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -13.961 -9.465 11.475 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -15.998 -25.478 6.995 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -16.735 -26.047 7.313 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -15.552 -25.190 7.813 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -14.755 -24.144 3.436 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -15.672 -24.347 3.733 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -14.769 -24.345 2.471 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -18.198 -7.686 -5.381 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -17.493 -7.027 -5.225 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -18.995 -7.145 -5.563 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -10.306 -7.357 1.356 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -10.445 -7.704 2.260 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -11.194 -7.400 0.947 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -23.214 -27.372 13.631 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -22.665 -27.197 12.836 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -23.395 -26.483 13.995 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -14.780 -13.816 11.032 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -13.892 -14.243 10.952 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.263 -14.392 11.638 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -16.713 -22.009 21.275 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.864 -21.833 20.794 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -17.331 -22.295 20.572 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -15.798 -19.715 22.544 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.128 -19.519 21.845 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -16.190 -20.568 22.258 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.342 -15.154 24.940 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.173 -16.117 24.842 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -16.213 -14.799 24.037 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -18.221 -20.037 24.066 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -18.594 -19.137 24.151 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -17.353 -19.897 23.652 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.519 -14.820 22.287 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -15.098 -15.583 21.829 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.294 -14.599 21.717 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -11.707 -12.903 24.446 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -12.136 -13.783 24.346 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -11.817 -12.491 23.582 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -17.056 -27.912 20.348 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -16.777 -28.678 19.816 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -16.215 -27.514 20.645 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -17.588 -14.335 20.552 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -17.709 -14.547 19.605 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -18.338 -13.773 20.763 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -13.992 -16.761 21.133 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.033 -17.721 20.879 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -13.209 -16.700 21.694 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -14.181 -12.980 31.329 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -15.114 -12.745 31.380 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -14.129 -13.861 31.779 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -18.888 -16.530 15.891 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -18.305 -17.274 16.131 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -19.547 -16.939 15.288 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -18.380 -22.917 16.740 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -18.782 -23.300 15.932 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.721 -22.287 16.400 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -14.938 -16.168 28.230 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.583 -16.304 27.343 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -14.445 -15.376 28.567 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -13.218 -15.133 23.913 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -14.101 -14.975 23.530 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -13.341 -15.908 24.489 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -16.368 -21.535 15.174 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.166 -22.423 14.808 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -16.105 -20.914 14.450 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -18.408 -14.057 14.630 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -18.374 -14.911 15.107 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -18.970 -14.236 13.869 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -11.705 -12.074 32.189 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -11.843 -11.138 32.005 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -12.551 -12.497 31.918 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -19.104 -25.761 25.604 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.157 -24.798 25.779 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -19.696 -26.162 26.281 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -15.627 -17.393 15.089 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -14.771 -17.791 15.355 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -15.713 -16.613 15.667 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -19.674 -26.797 15.148 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -19.518 -27.391 14.380 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.281 -27.303 15.725 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -16.251 -20.950 17.946 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -15.593 -21.259 18.618 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.920 -21.307 17.103 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -19.073 -23.020 25.827 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -18.971 -22.981 24.847 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -18.645 -22.211 26.139 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -18.640 -22.536 23.179 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.866 -22.518 22.575 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -18.730 -21.601 23.474 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -21.609 -24.425 12.735 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -22.401 -24.442 13.315 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -21.744 -23.634 12.164 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.933 -18.374 27.129 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -19.048 -18.342 26.160 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.575 -17.482 27.350 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -19.399 -26.745 23.078 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -19.400 -26.385 23.996 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.542 -25.957 22.512 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -18.635 -29.021 26.963 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -19.102 -28.167 27.037 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.276 -29.023 26.060 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -19.784 -18.553 14.211 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -19.871 -19.145 13.434 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -19.041 -18.932 14.717 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -19.552 -24.457 21.487 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -19.365 -23.901 20.700 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -19.414 -23.845 22.243 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -18.684 -17.406 24.475 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -17.705 -17.397 24.494 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -18.919 -16.616 23.977 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -18.245 -14.631 17.785 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -18.691 -15.346 17.279 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -18.358 -13.847 17.229 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.475 -12.871 26.238 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -15.758 -13.707 25.818 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.297 -12.414 26.433 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -12.076 -13.359 17.543 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -12.643 -13.970 18.072 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -11.946 -13.824 16.707 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.914 -17.784 24.476 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.136 -17.987 25.024 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.875 -18.451 23.749 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -13.695 -15.023 18.972 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -13.787 -15.725 19.651 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.396 -15.235 18.313 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -9.712 -7.862 16.313 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -9.535 -6.989 16.741 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -10.233 -8.356 16.987 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.588 -18.344 18.382 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.156 -18.587 19.230 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -16.069 -19.160 18.121 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -20.504 -20.423 28.147 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -21.332 -19.962 28.320 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -19.936 -19.743 27.720 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -18.794 -22.693 19.464 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -19.038 -21.744 19.399 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -18.626 -22.955 18.533 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -17.154 -19.047 29.207 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -17.656 -18.900 28.378 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -17.529 -18.408 29.826 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.369 -26.606 19.669 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -18.643 -27.085 20.129 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.624 -25.901 20.297 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -23.479 -24.799 14.715 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -24.355 -24.672 15.097 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -22.872 -24.351 15.354 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -10.541 -9.462 18.361 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -10.121 -9.220 19.207 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -11.084 -10.235 18.582 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -17.026 -11.814 13.543 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -17.349 -12.634 13.967 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.685 -11.153 13.774 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.535 -16.062 27.397 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -16.694 -16.034 27.901 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.343 -15.557 26.590 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -18.824 -20.115 18.492 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -18.975 -19.547 17.729 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -17.900 -20.416 18.386 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -18.252 -21.612 29.356 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.717 -20.796 29.402 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -19.105 -21.316 28.985 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -14.660 -18.125 30.187 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -15.357 -18.738 29.882 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.726 -17.367 29.566 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -20.806 -23.263 27.982 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -20.279 -23.315 27.160 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -20.910 -22.309 28.134 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -20.476 -25.300 29.789 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -19.638 -24.914 30.122 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -20.840 -24.599 29.199 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -20.419 -26.991 27.627 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -20.419 -26.392 28.405 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -20.990 -27.739 27.903 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -10.621 -8.822 27.037 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -9.866 -8.720 26.423 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -11.126 -8.013 26.927 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.894 -12.287 26.873 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.429 -12.426 26.022 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.849 -12.380 26.641 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -13.910 -15.333 32.615 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -13.174 -15.319 33.273 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.440 -16.114 32.869 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.448 -14.066 28.889 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -13.143 -13.403 28.236 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.607 -13.547 29.701 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.526 -13.096 20.969 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -14.194 -13.391 21.607 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -13.658 -13.683 20.198 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -16.842 -27.593 23.621 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -17.130 -28.478 23.930 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -17.647 -27.210 23.212 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -19.634 -29.534 22.783 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -19.796 -28.574 22.679 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -18.848 -29.580 23.355 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.361 -27.109 20.365 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.113 -26.160 20.292 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -13.919 -27.531 19.598 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -21.719 -23.434 16.279 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -20.918 -23.641 15.755 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -21.419 -22.775 16.918 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -11.318 -11.856 19.744 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -11.465 -12.381 18.927 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -12.044 -12.146 20.343 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -19.115 -27.432 34.508 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -18.699 -26.550 34.391 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -19.737 -27.494 33.754 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -10.806 -11.215 28.353 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -10.770 -10.299 27.987 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -11.579 -11.620 27.900 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -16.284 -24.578 40.096 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -16.123 -25.311 40.726 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.975 -24.032 40.532 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -18.280 -22.952 41.032 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -18.890 -22.636 40.357 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -18.679 -22.674 41.863 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.201 -24.466 38.344 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.921 -24.380 39.005 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -13.736 -25.290 38.608 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -10.136 -13.152 34.209 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -10.660 -12.853 33.431 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -10.346 -12.508 34.895 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.184 -17.396 31.511 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -12.568 -16.522 31.700 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.838 -17.819 30.927 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -18.479 -25.184 33.012 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -18.197 -24.612 32.275 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -19.196 -25.723 32.631 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.735 -17.982 32.968 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.880 -18.367 33.201 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.794 -18.098 31.996 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.773 -25.341 37.435 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.918 -24.965 37.172 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -16.860 -25.090 38.374 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -9.598 -18.042 37.543 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -10.174 -17.407 37.981 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -10.174 -18.827 37.397 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -11.094 -20.340 37.274 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -11.651 -21.041 37.684 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -11.306 -20.394 36.314 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -10.260 -17.905 33.465 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -10.770 -17.721 32.645 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -9.378 -17.521 33.294 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.281 -22.573 38.399 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.024 -23.187 38.195 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -11.560 -23.167 38.697 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -16.918 -17.939 34.671 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -16.932 -18.871 34.888 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -16.165 -17.847 34.055 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.397 -26.938 41.340 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.803 -27.651 40.818 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -14.558 -26.752 40.872 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -15.636 -28.479 38.796 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -16.331 -28.282 38.137 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -15.229 -29.310 38.471 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -14.131 3.477 -11.567 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.656 4.032 -10.967 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.269 3.931 -11.622 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -11.595 4.568 -11.268 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -11.261 5.364 -11.704 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -10.835 3.950 -11.283 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.391 5.247 -9.737 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -15.677 6.089 -10.158 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.124 4.612 -9.942 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -11.433 -5.088 -11.706 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -12.171 -4.701 -11.190 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -11.023 -4.312 -12.155 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -17.212 -6.928 -13.639 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -17.229 -7.569 -12.893 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.282 -6.957 -13.957 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -16.947 -9.264 -15.324 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -16.549 -8.855 -16.111 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.293 -8.511 -14.814 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.618 8.538 -13.199 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -16.201 9.074 -13.882 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -17.464 8.278 -13.581 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -16.052 -0.191 -14.625 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -16.794 0.401 -14.875 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -16.416 -0.732 -13.891 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -19.387 4.024 -12.088 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -19.249 4.986 -11.910 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -19.466 3.971 -13.047 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -24.853 0.706 -6.871 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -24.914 1.054 -7.767 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -25.559 1.153 -6.392 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -20.499 7.057 -9.167 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -19.840 7.352 -8.501 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -21.247 7.657 -9.042 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -16.614 -1.428 -5.691 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -16.691 -0.734 -6.386 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -15.693 -1.359 -5.385 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -18.133 1.295 -15.657 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -17.931 1.796 -16.454 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -18.962 0.850 -15.858 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -17.173 0.155 -7.794 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -16.852 1.080 -7.795 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -17.744 0.102 -8.585 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -18.706 0.049 -10.149 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -19.367 -0.550 -9.732 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -19.147 0.932 -10.135 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -23.445 -4.968 -15.814 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -23.800 -5.608 -16.438 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -23.525 -4.123 -16.267 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -17.285 3.445 -10.397 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.867 3.052 -9.722 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -17.888 3.634 -11.147 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -21.298 -3.011 -3.527 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -21.854 -2.534 -2.903 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -20.664 -2.337 -3.849 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -16.164 0.926 -10.963 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -16.373 1.873 -10.837 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -17.030 0.480 -10.879 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -17.250 -1.691 -12.583 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -17.438 -2.653 -12.623 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -17.998 -1.324 -12.094 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -13.587 8.878 -10.099 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -12.646 8.594 -9.982 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -13.521 9.805 -10.356 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -19.837 2.483 -9.837 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -20.198 3.099 -9.162 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -19.928 2.973 -10.680 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -22.424 -0.596 -6.610 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -21.896 -0.244 -5.854 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -23.224 -0.030 -6.627 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -19.646 1.910 -2.672 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -19.823 1.498 -1.821 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -19.265 2.789 -2.439 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -20.641 -1.256 -8.661 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -21.223 -1.972 -9.013 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -21.186 -0.833 -7.964 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -23.065 -5.799 -13.237 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -23.176 -5.449 -14.149 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -23.955 -6.157 -13.012 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -18.380 3.443 -6.502 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -17.676 3.847 -7.038 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -19.175 3.507 -7.067 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -21.880 -5.636 -10.567 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -21.143 -5.499 -11.194 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -22.655 -5.767 -11.143 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -18.603 -2.569 -7.385 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -19.356 -2.078 -7.779 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -18.168 -1.916 -6.809 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -20.813 -7.415 -8.776 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -21.220 -6.758 -9.385 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -21.091 -8.285 -9.146 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -20.277 -6.203 -6.383 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -20.532 -6.570 -7.257 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -21.106 -5.770 -6.054 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -15.611 11.979 -7.744 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -16.160 12.684 -8.160 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -15.943 11.150 -8.149 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -12.753 5.136 -8.837 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -12.394 4.900 -9.718 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -13.718 5.209 -8.987 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -14.396 -0.224 -16.830 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -14.282 -1.176 -16.920 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -14.996 -0.128 -16.055 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -12.397 0.933 -18.252 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -13.163 0.649 -17.694 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -12.796 1.476 -18.940 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -13.933 -5.755 -18.440 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -14.309 -6.452 -17.862 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -14.544 -5.709 -19.181 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -14.800 -7.932 -16.947 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -14.031 -8.518 -17.102 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -14.734 -7.696 -15.998 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -18.561 7.816 -7.416 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -18.471 7.957 -6.444 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -18.013 7.013 -7.586 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -16.741 9.588 -8.615 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -16.614 9.057 -9.424 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -17.529 9.195 -8.194 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -18.857 6.580 -11.384 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -19.481 6.776 -10.653 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -18.023 6.981 -11.098 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -16.030 7.736 -10.694 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -16.204 8.001 -11.631 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -15.115 8.060 -10.522 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -17.852 -4.439 -12.537 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -18.818 -4.596 -12.535 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -17.493 -5.195 -13.045 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -14.608 -7.410 -14.278 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -13.720 -7.000 -14.210 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -14.476 -8.319 -13.928 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -10.979 -7.044 -16.529 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -11.326 -6.891 -15.623 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -11.133 -6.191 -16.992 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -13.974 -9.929 -13.456 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -13.139 -10.088 -13.959 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -14.598 -10.599 -13.811 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -13.515 -1.129 -2.113 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -12.634 -0.697 -2.194 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -13.723 -1.409 -3.019 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -13.612 -4.290 2.961 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -14.319 -4.874 3.256 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -12.804 -4.660 3.383 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -19.532 6.337 2.015 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -20.013 5.832 2.680 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -18.986 6.955 2.529 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -15.705 6.699 0.275 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -16.649 6.618 0.011 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.270 5.950 -0.179 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.059 -4.502 -4.572 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -19.504 -5.007 -5.286 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -19.777 -4.299 -3.945 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -20.891 0.188 -4.484 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -20.535 0.913 -3.934 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -20.152 -0.455 -4.535 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -13.278 2.743 -0.929 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -13.660 1.906 -0.581 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -12.463 2.873 -0.394 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -15.000 0.825 -3.713 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -15.030 0.642 -2.764 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -15.923 1.092 -3.939 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -18.360 6.547 -0.400 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -18.869 6.341 0.420 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -18.525 7.494 -0.549 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -14.194 -3.979 -5.232 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -13.558 -4.403 -4.619 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -14.146 -3.024 -5.001 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -17.914 9.338 -0.177 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -17.326 10.133 -0.232 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -17.769 9.000 0.732 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -16.605 8.542 -2.614 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -17.002 8.760 -1.749 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -15.762 8.098 -2.387 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -22.318 -4.756 -5.434 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -22.947 -4.225 -5.967 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -22.069 -4.163 -4.698 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -22.308 -3.302 -9.159 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -22.940 -3.462 -8.434 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -22.213 -4.173 -9.593 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -18.964 -1.741 -4.401 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -18.086 -1.387 -4.668 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -18.885 -2.704 -4.556 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -16.540 -5.479 -5.127 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -17.314 -4.913 -4.905 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -15.803 -4.841 -5.262 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -13.907 -1.287 -4.929 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -14.148 -0.401 -4.560 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -13.422 -1.078 -5.757 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -17.501 1.614 -4.472 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -18.257 1.675 -3.859 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -17.782 2.134 -5.250 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -11.091 -2.911 -2.606 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -11.387 -2.558 -1.738 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -11.793 -3.551 -2.856 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -14.938 4.817 -1.631 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -14.352 4.057 -1.399 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -15.755 4.397 -1.947 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -20.476 4.459 -8.096 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -20.527 5.340 -8.516 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -20.950 4.571 -7.239 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -21.432 4.693 -5.552 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -21.922 4.185 -4.900 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -20.618 4.970 -5.080 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -15.108 -6.292 -2.882 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -15.657 -6.064 -3.660 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -15.747 -6.445 -2.177 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -18.406 4.282 -2.038 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -18.427 5.040 -1.417 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -18.578 4.689 -2.917 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -16.853 5.713 -7.419 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -16.213 5.546 -8.138 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -16.292 5.884 -6.634 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -23.844 -2.937 -6.844 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -24.725 -2.551 -6.864 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -23.241 -2.160 -6.785 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -20.014 10.206 -1.752 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -19.275 9.899 -1.186 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -20.742 10.339 -1.140 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -10.783 3.136 0.129 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -10.616 4.095 0.161 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -10.114 2.800 -0.506 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -11.257 0.314 0.743 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -12.226 0.377 0.641 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -10.959 1.238 0.763 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -11.584 2.949 -3.162 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -12.281 2.981 -2.474 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -10.742 3.016 -2.658 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -13.965 0.191 0.187 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -14.215 -0.410 0.924 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -13.889 -0.407 -0.594 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -14.419 -1.639 2.268 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -14.755 -1.380 3.130 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -14.049 -2.532 2.414 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -6.806 -7.269 14.993 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.604 -6.761 14.775 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -6.439 -6.817 15.787 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -11.357 -7.327 -2.109 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -10.671 -8.012 -2.009 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -11.874 -7.379 -1.269 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -9.457 -7.260 13.509 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -9.767 -7.402 14.424 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -10.084 -7.783 12.961 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -17.075 8.161 2.241 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -16.493 8.600 2.874 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -16.478 7.577 1.731 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -10.997 -8.990 11.996 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -11.800 -8.672 11.523 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -11.301 -9.810 12.444 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -15.142 -8.640 1.084 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -15.245 -9.316 0.379 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -16.004 -8.649 1.543 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -12.807 -7.366 0.161 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -13.647 -7.739 0.506 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -12.937 -6.386 0.217 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -12.665 -5.114 -3.171 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -13.582 -5.365 -2.915 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -12.112 -5.825 -2.790 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -24.107 -9.864 -1.789 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -24.061 -9.774 -2.748 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -24.942 -10.316 -1.631 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -18.940 5.245 -4.518 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -18.565 6.131 -4.709 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -18.595 4.673 -5.241 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -14.126 7.302 -2.511 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -13.399 7.526 -1.890 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -14.411 6.400 -2.233 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -13.041 -11.300 15.885 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -13.813 -10.892 16.290 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -12.684 -11.879 16.580 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -9.098 -5.597 17.636 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -8.344 -4.976 17.551 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -9.451 -5.418 18.512 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -20.440 9.995 -7.037 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -19.866 9.248 -7.267 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -20.363 10.064 -6.061 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -12.668 14.736 -5.797 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -12.997 13.828 -5.649 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -13.444 15.292 -5.678 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -19.594 12.601 -7.051 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -20.291 13.052 -6.560 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -19.968 11.708 -7.235 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -18.202 7.918 -4.738 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -18.839 8.643 -4.562 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -17.546 7.999 -4.009 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -11.603 10.124 -4.769 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -10.703 10.374 -4.438 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -12.004 10.973 -5.029 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -13.659 11.975 -5.720 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -14.117 11.271 -5.225 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -14.172 12.051 -6.553 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -14.543 8.340 -7.584 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -15.382 8.831 -7.693 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -14.100 8.436 -8.450 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -15.369 9.811 -4.782 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -15.726 9.437 -3.951 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -16.122 10.315 -5.154 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -19.571 10.265 -4.447 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -19.811 10.308 -3.490 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -18.757 10.802 -4.514 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -17.599 13.603 -8.696 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -17.989 14.201 -9.340 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -18.360 13.303 -8.153 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -8.457 13.414 -3.166 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -7.588 13.220 -2.744 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -8.810 14.150 -2.652 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -17.383 11.544 -5.699 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -18.171 11.960 -6.101 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -16.648 11.816 -6.286 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -15.914 11.134 -0.244 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -15.427 11.956 -0.347 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -15.215 10.456 -0.092 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -3.993 -38.429 9.213 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.822 -38.635 9.677 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -4.238 -38.465 8.264 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 1.458 -32.122 7.496 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 0.760 -32.199 6.809 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 1.851 -31.229 7.336 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -11.262 -38.706 3.045 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -11.608 -37.788 3.065 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -11.772 -39.167 3.743 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -2.740 -33.467 6.724 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -2.474 -34.411 6.794 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -3.700 -33.505 6.546 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -9.021 -39.685 8.796 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -8.108 -39.732 9.130 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -9.410 -38.912 9.274 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -7.452 -36.772 3.585 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -7.817 -37.489 3.011 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -8.040 -36.003 3.408 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -6.823 -29.134 4.317 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -7.279 -29.793 4.882 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -7.450 -28.968 3.592 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -4.389 -35.174 9.093 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -3.700 -34.536 9.395 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -4.730 -35.560 9.915 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -5.163 -38.235 6.744 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -6.081 -38.453 6.482 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -4.832 -37.682 6.006 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -8.373 -30.882 5.896 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -8.486 -30.673 6.829 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -9.230 -31.302 5.637 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 1.664 -28.625 4.764 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 1.873 -29.137 5.580 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 1.541 -27.696 5.092 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.700 -31.845 5.845 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -1.429 -32.450 6.104 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -1.129 -30.993 5.729 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 4.731 -29.040 10.953 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 3.831 -29.081 10.547 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 5.324 -29.257 10.223 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -4.950 -36.440 4.665 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -4.340 -36.319 3.929 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -5.831 -36.540 4.234 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -10.263 -32.426 13.476 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -9.498 -33.000 13.226 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -10.374 -31.839 12.718 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -5.351 -34.357 6.517 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -5.204 -34.665 7.436 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -5.168 -35.146 5.966 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -11.464 -34.549 14.659 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -10.991 -33.752 14.321 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -11.683 -35.057 13.841 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -5.148 -27.692 1.983 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -4.667 -27.500 2.817 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -5.526 -28.566 2.130 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -7.810 -38.125 5.938 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -7.730 -37.715 5.049 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -8.710 -38.504 5.945 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 7.126 -26.937 12.684 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 6.209 -27.194 12.896 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 7.269 -27.280 11.778 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -4.300 -27.833 4.605 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -3.892 -27.890 5.493 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -5.151 -28.306 4.700 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 0.816 -27.935 2.195 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.212 -28.142 3.073 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 0.265 -28.701 2.002 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -7.016 -36.573 8.073 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -7.462 -37.034 7.332 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -6.072 -36.771 7.939 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -8.664 -38.802 2.279 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -8.635 -39.472 1.592 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -9.610 -38.785 2.559 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -1.873 -35.864 13.987 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -2.101 -36.332 13.149 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -0.919 -35.646 13.889 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -9.708 -36.630 12.529 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -10.614 -36.261 12.427 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -9.837 -37.442 13.062 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -6.724 -38.417 10.129 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -7.042 -37.741 9.500 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -6.447 -37.903 10.910 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -10.449 -38.622 6.640 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -10.000 -38.902 7.464 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -10.737 -37.700 6.825 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 5.109 -29.804 7.049 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 5.307 -29.404 6.195 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 4.123 -29.739 7.123 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -2.341 -33.359 9.503 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -1.501 -32.917 9.740 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -2.429 -33.204 8.542 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -2.924 -37.011 11.719 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -2.886 -37.540 10.905 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -3.869 -36.782 11.807 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 5.955 -31.817 11.996 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 5.989 -31.591 11.043 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 5.007 -31.839 12.200 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 3.253 -25.864 -2.138 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 2.762 -26.278 -1.400 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 4.145 -25.722 -1.776 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -2.570 -36.183 7.278 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -2.126 -36.992 7.552 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -3.226 -36.019 7.987 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -7.393 -33.212 4.962 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -7.578 -32.315 5.312 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -6.659 -33.540 5.520 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -9.110 -34.553 3.309 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -8.427 -33.998 3.755 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -9.927 -34.377 3.817 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -8.786 -28.794 2.157 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.157 -29.673 2.370 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.569 -28.223 2.077 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -11.702 -41.339 9.827 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -11.383 -41.600 8.934 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -10.932 -40.939 10.242 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -10.646 -30.682 3.079 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -11.059 -31.239 2.389 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -10.679 -31.242 3.893 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -7.369 -26.972 0.533 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -6.484 -27.073 0.944 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -7.902 -27.677 0.951 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -13.384 -31.286 5.607 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -12.417 -31.424 5.697 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -13.612 -31.759 4.775 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 0.021 -31.901 9.860 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 0.211 -30.969 10.016 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 0.493 -32.104 9.023 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -8.396 -34.209 12.713 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -7.993 -34.269 11.828 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -8.764 -35.101 12.866 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -10.039 -37.504 9.959 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -10.926 -37.074 9.904 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -9.662 -37.157 10.794 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -7.570 -34.924 10.202 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -8.433 -34.497 10.009 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -7.344 -35.392 9.369 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 0.751 -35.076 14.121 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 1.666 -35.270 13.854 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 0.734 -35.281 15.081 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 2.623 -33.053 11.988 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 1.686 -33.267 11.859 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 2.905 -32.685 11.119 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 3.724 -35.819 16.201 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 4.648 -36.151 16.241 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 3.564 -35.684 15.244 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 4.036 -27.647 3.834 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 3.791 -26.885 4.413 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 3.334 -28.303 4.005 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 3.261 -31.967 9.567 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 2.744 -32.341 8.821 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 3.015 -31.002 9.563 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -14.360 -40.983 10.105 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -14.259 -40.010 10.016 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -13.432 -41.320 10.065 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -12.578 -39.575 5.287 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -13.244 -39.596 5.997 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -11.760 -39.268 5.736 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -11.089 -27.065 -0.359 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -11.514 -27.904 -0.609 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -11.266 -26.987 0.591 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 4.234 -24.975 0.438 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 3.333 -25.349 0.521 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 4.089 -24.062 0.148 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -2.057 -33.236 19.309 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -2.561 -32.525 18.828 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -1.877 -32.853 20.173 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -6.651 -35.642 24.042 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -6.498 -35.731 23.085 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -6.152 -34.816 24.286 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 3.012 -31.257 18.855 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 2.792 -32.171 19.142 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 3.535 -30.894 19.599 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -7.513 -31.925 25.434 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -8.134 -32.668 25.315 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -6.662 -32.268 25.068 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -1.129 -39.155 22.591 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -1.290 -39.802 23.286 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -2.021 -38.981 22.214 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -8.892 -34.377 25.080 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.045 -34.863 24.959 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -9.421 -34.629 24.288 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -9.607 -35.670 20.212 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -9.488 -34.717 20.092 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -9.739 -36.007 19.314 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -8.174 -32.066 17.506 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -8.009 -32.003 16.560 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -7.288 -32.252 17.887 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 0.386 -31.992 23.025 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 1.234 -31.700 23.412 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 0.602 -32.834 22.576 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -4.465 -34.605 18.991 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -3.517 -34.372 19.053 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.875 -33.820 18.532 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -0.271 -33.186 17.249 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 0.113 -34.076 17.088 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -0.855 -33.315 18.027 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 1.379 -35.897 26.118 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 0.595 -35.674 26.639 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 1.023 -36.143 25.244 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 2.526 -33.880 19.626 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 2.074 -33.896 20.489 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 2.437 -34.803 19.298 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 1.915 -31.779 16.434 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 2.416 -31.612 17.265 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 1.170 -32.357 16.716 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -6.405 -35.776 29.110 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -6.756 -36.295 29.863 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -7.208 -35.395 28.686 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -5.986 -37.713 20.639 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -6.943 -37.700 20.547 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -5.759 -36.802 20.917 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -13.395 -30.502 30.109 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -13.239 -30.133 31.012 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -12.679 -30.134 29.577 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 6.287 -30.707 31.018 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 6.261 -31.434 30.367 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 5.953 -31.117 31.839 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 3.820 -32.132 14.461 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 3.227 -32.378 13.728 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.217 -32.016 15.229 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -5.685 -38.094 24.966 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -5.334 -37.810 25.838 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -6.124 -37.294 24.618 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -10.340 -35.314 22.904 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -11.160 -35.817 22.987 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -9.980 -35.585 22.028 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -1.075 -38.457 18.337 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -1.443 -37.780 17.718 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -1.549 -39.261 18.111 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -2.786 -36.719 23.749 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -3.132 -37.346 23.078 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -3.464 -36.033 23.801 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -4.764 -36.902 27.228 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -5.426 -36.741 27.930 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -4.370 -36.010 27.068 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.155 -37.283 26.380 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -2.284 -37.173 25.416 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -3.058 -37.421 26.726 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -4.952 -36.491 17.059 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -5.497 -37.127 17.539 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -4.808 -35.764 17.707 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -6.987 -37.162 31.439 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -7.738 -36.569 31.691 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -7.240 -38.022 31.786 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -3.719 -38.649 21.936 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -4.086 -39.323 22.555 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -4.473 -38.432 21.344 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -4.586 -40.314 23.896 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -5.011 -39.527 24.317 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -4.994 -41.063 24.334 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 1.798 -32.539 26.683 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 2.038 -32.114 25.832 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 0.829 -32.583 26.658 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -6.033 -32.492 28.912 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -6.138 -33.446 28.755 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -5.211 -32.259 28.425 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -8.551 -34.593 27.945 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -8.621 -34.480 26.982 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -9.015 -33.813 28.314 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -0.955 -35.410 27.868 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -0.803 -35.905 28.680 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -1.397 -36.065 27.268 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 0.070 -30.206 27.531 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -0.314 -30.558 26.696 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -0.172 -30.872 28.195 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 5.981 -33.392 30.294 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 5.607 -33.230 31.185 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 5.346 -33.988 29.875 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 0.745 -34.589 21.773 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 0.397 -35.134 21.052 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 0.578 -35.128 22.578 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -6.013 -36.141 14.524 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -5.522 -36.259 15.364 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.937 -36.371 14.760 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -5.528 -35.130 21.472 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -5.142 -34.933 20.584 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -5.470 -34.288 21.947 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 4.709 -33.533 17.465 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 4.176 -33.647 18.266 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.447 -34.282 16.898 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -0.035 -36.488 23.670 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 0.132 -37.351 23.259 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -1.013 -36.447 23.742 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -5.634 -36.293 11.751 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -5.777 -36.239 12.725 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -6.318 -35.699 11.377 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 1.525 -30.362 30.215 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 1.629 -30.735 31.117 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 2.209 -30.818 29.687 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -10.678 -32.176 35.152 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -10.962 -32.457 36.030 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -11.516 -32.128 34.635 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -6.831 -30.595 30.648 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -6.639 -31.423 30.144 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -7.793 -30.419 30.473 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -0.965 -31.609 25.385 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.585 -31.769 24.494 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -1.897 -31.925 25.308 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -8.963 -35.441 32.086 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -8.682 -34.736 32.693 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -9.714 -35.047 31.601 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -2.273 -36.806 16.559 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -3.243 -36.708 16.645 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -2.082 -36.502 15.648 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -4.475 -35.946 31.135 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -5.262 -36.428 31.455 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -4.702 -35.713 30.218 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -3.991 -34.220 14.465 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -4.846 -34.695 14.427 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -3.324 -34.909 14.246 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -1.287 -32.743 28.585 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -1.062 -33.621 28.210 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -1.181 -32.858 29.535 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 3.595 -35.064 13.572 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 4.550 -34.876 13.651 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 3.280 -34.417 12.907 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -3.647 -34.483 26.979 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -2.727 -34.383 27.255 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -3.761 -33.805 26.271 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 5.255 -32.581 32.881 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 5.688 -33.175 33.506 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 4.656 -32.040 33.442 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 2.104 -36.563 19.271 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 1.423 -36.997 19.837 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 2.737 -37.263 19.083 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 0.097 -37.706 20.645 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -0.355 -37.979 19.810 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -0.305 -38.282 21.331 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 2.539 -30.904 24.596 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 3.473 -30.864 24.302 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 2.443 -30.125 25.186 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 1.071 -35.549 16.818 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 0.890 -36.125 17.580 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 2.045 -35.622 16.692 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -11.566 -34.275 26.046 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -11.594 -34.944 26.736 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -10.635 -34.262 25.763 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -9.963 -30.041 32.894 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -9.147 -29.869 33.378 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -9.678 -30.134 31.968 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 6.227 -28.034 31.802 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 5.321 -27.693 31.699 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 6.162 -28.973 31.534 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -11.609 -28.897 39.440 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -11.803 -29.101 40.386 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -11.750 -29.752 38.983 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -1.019 -29.261 34.712 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -1.542 -28.580 35.160 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.386 -29.283 33.807 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -9.361 -27.782 38.330 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -9.330 -28.322 37.506 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -10.056 -28.219 38.876 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -2.555 -29.522 32.361 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -2.944 -29.509 31.457 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -2.758 -30.427 32.691 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 2.968 -27.163 35.130 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 3.018 -27.036 36.090 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 3.907 -27.116 34.835 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -0.567 -31.896 34.220 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -0.799 -30.987 34.509 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -1.408 -32.262 33.894 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.861 -27.203 34.463 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -6.750 -27.025 34.105 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -5.875 -26.794 35.351 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 3.912 -31.071 34.721 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 4.484 -30.394 35.105 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 3.133 -31.100 35.328 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 2.498 -28.467 32.775 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 2.546 -28.210 33.719 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 2.216 -29.404 32.796 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -3.673 -31.507 27.766 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -3.717 -31.662 26.794 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -2.818 -31.910 28.031 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -3.342 -32.007 33.203 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -4.308 -31.923 33.060 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -3.155 -32.957 33.014 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 1.475 -30.983 35.918 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 0.829 -31.626 35.573 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 0.959 -30.176 36.045 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -6.162 -31.930 32.945 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -7.026 -32.389 33.034 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -6.303 -31.307 32.204 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -5.550 -32.486 35.553 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -5.746 -32.251 34.622 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -4.603 -32.345 35.637 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -9.711 -29.652 36.279 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -10.065 -30.232 35.584 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -9.456 -30.266 36.994 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -4.006 -29.975 30.061 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -3.886 -30.393 29.181 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -4.920 -30.193 30.304 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 3.607 -28.524 28.824 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 3.516 -28.233 29.749 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 3.532 -29.500 28.868 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -2.879 -34.621 32.832 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -3.459 -35.052 32.158 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -2.679 -35.327 33.453 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 1.741 -31.133 32.848 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 0.932 -31.492 33.275 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 2.455 -31.340 33.479 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -8.856 -32.797 33.077 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -9.439 -32.436 33.777 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -9.458 -32.937 32.315 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -13.478 -26.897 39.352 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -12.737 -27.529 39.430 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -14.232 -27.448 39.046 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.137 -31.152 38.526 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -8.527 -30.954 39.250 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -8.652 -31.817 37.975 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.567 -29.374 42.447 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -8.969 -29.076 41.726 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -8.976 -29.563 43.180 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -3.186 -27.503 34.091 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -4.150 -27.455 34.298 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -3.120 -28.232 33.439 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 4.883 -26.445 37.329 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 5.543 -26.854 37.920 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 5.211 -26.657 36.433 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -9.254 -14.641 -8.461 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -8.381 -15.046 -8.269 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -9.113 -14.179 -9.320 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -8.256 -13.657 -10.819 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -7.622 -12.965 -11.024 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -7.908 -14.450 -11.290 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -4.639 -10.792 -6.776 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -4.756 -10.566 -7.723 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -3.699 -11.057 -6.708 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 3.272 -18.498 -7.663 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 4.143 -18.722 -8.005 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 2.681 -19.185 -8.042 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 1.427 -20.320 -8.576 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 0.846 -20.131 -9.323 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 0.877 -20.105 -7.782 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.189 -15.782 -12.228 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -6.491 -16.438 -12.012 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -7.580 -16.116 -13.040 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -5.310 -17.818 -12.055 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -4.711 -18.163 -12.727 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -4.741 -17.711 -11.255 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -4.237 -16.283 -7.333 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -4.699 -17.123 -7.110 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -4.273 -15.773 -6.509 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -11.803 -15.505 -8.882 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -11.784 -16.129 -9.615 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.867 -15.220 -8.782 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -10.555 -12.650 -15.344 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -9.633 -12.917 -15.407 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -11.050 -13.459 -15.512 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -2.804 -12.027 -3.789 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -2.729 -11.055 -3.849 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -3.766 -12.189 -3.814 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 3.451 -24.813 -4.685 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 2.837 -25.257 -5.304 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 3.363 -25.328 -3.854 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -4.431 -20.320 -8.863 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -4.733 -20.546 -7.958 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -3.730 -20.989 -9.055 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -7.867 -17.911 -8.668 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -7.450 -18.504 -9.343 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -8.748 -18.278 -8.548 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 0.072 -22.754 -8.890 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 0.729 -22.068 -8.688 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 0.556 -23.598 -8.750 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -0.912 -13.576 -5.968 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -0.187 -13.830 -6.573 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -1.271 -12.748 -6.353 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -6.636 -15.413 -8.376 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -5.721 -15.627 -8.101 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -7.015 -16.282 -8.633 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 0.076 -19.468 -6.400 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -0.337 -19.724 -5.558 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 0.432 -18.574 -6.231 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 1.473 -14.621 -7.086 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 1.987 -14.123 -6.410 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 1.813 -14.289 -7.929 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -1.845 -11.026 -6.783 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -1.878 -10.393 -7.530 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -1.188 -10.633 -6.170 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -2.174 -13.592 -10.937 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -1.333 -14.020 -11.135 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -2.760 -14.320 -10.696 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 2.658 -11.972 -8.243 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 3.291 -11.800 -8.948 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 2.040 -11.210 -8.282 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -11.755 -10.431 -9.065 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -11.944 -9.472 -9.031 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -10.945 -10.495 -9.624 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 1.608 -24.971 -8.384 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 1.499 -25.408 -7.514 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 2.243 -25.523 -8.848 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -0.137 -12.748 -3.380 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -1.068 -12.440 -3.343 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.006 -12.982 -4.317 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 1.568 -17.180 -5.940 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 2.254 -17.599 -6.514 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 1.442 -16.289 -6.334 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -5.714 -15.996 -4.881 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -6.570 -15.826 -4.428 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -5.871 -16.824 -5.381 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -6.655 -19.589 -10.361 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -5.877 -19.974 -9.905 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -6.272 -19.075 -11.096 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -7.254 -22.751 -5.265 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -7.553 -23.331 -5.974 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -7.959 -22.827 -4.579 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -3.930 -17.718 -9.718 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -3.967 -18.642 -9.391 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -3.861 -17.180 -8.904 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 1.341 -23.841 -1.849 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 1.939 -24.601 -2.002 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 1.945 -23.113 -1.608 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 1.308 -18.408 -3.479 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 1.494 -17.974 -4.344 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 0.568 -19.022 -3.675 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -6.017 -18.155 -6.581 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -6.747 -18.182 -7.233 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -5.798 -19.102 -6.425 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -5.287 -20.788 -6.204 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -4.501 -21.002 -5.657 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -5.984 -21.386 -5.867 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -2.563 -22.232 -9.359 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -2.714 -22.914 -10.019 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -1.619 -22.355 -9.099 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -11.944 -6.874 -13.881 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -11.805 -6.145 -13.248 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -11.606 -7.657 -13.419 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 3.958 -14.553 -3.139 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 4.729 -14.022 -2.854 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 3.973 -14.491 -4.105 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 4.475 -22.324 -5.709 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 4.096 -23.207 -5.544 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 3.913 -21.948 -6.391 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -4.803 -6.328 -5.539 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -4.959 -7.251 -5.262 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -4.132 -6.406 -6.260 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 0.248 -9.634 -5.597 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 0.100 -8.657 -5.572 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 0.649 -9.835 -4.725 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 1.107 -9.688 -8.185 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 1.525 -8.820 -8.217 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 0.787 -9.767 -7.255 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -3.063 -6.786 -7.544 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -2.566 -5.988 -7.780 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -2.551 -7.514 -7.941 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -6.039 -7.579 -10.529 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -6.724 -7.856 -11.172 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -5.604 -6.811 -10.963 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -5.097 -9.903 -9.338 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -5.329 -9.055 -9.781 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -4.332 -10.236 -9.851 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -2.794 -10.905 -10.680 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -2.592 -11.869 -10.637 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -2.708 -10.688 -11.616 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 3.002 -12.883 -5.674 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 2.898 -12.384 -6.512 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 3.974 -12.904 -5.528 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -3.277 -10.280 3.623 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -3.159 -10.852 4.418 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -4.222 -10.305 3.454 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -0.363 -9.363 1.059 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -0.211 -8.763 1.806 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 0.337 -10.044 1.156 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 1.125 -13.605 0.769 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 1.471 -13.772 -0.132 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 0.376 -14.220 0.847 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -0.059 -25.060 -3.950 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -0.990 -25.004 -3.718 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 0.389 -24.506 -3.278 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 5.652 -13.147 -5.203 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 6.447 -13.270 -5.731 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 5.984 -13.066 -4.281 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -1.720 -6.800 0.300 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -1.272 -6.543 1.128 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -1.392 -7.695 0.124 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.607 -6.923 -3.250 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -1.243 -7.553 -2.593 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -2.084 -6.263 -2.709 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -0.929 -9.154 -1.631 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -0.133 -9.491 -2.099 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -0.772 -9.393 -0.691 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 0.168 -18.325 -0.880 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 0.814 -18.523 -1.577 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -0.400 -19.121 -0.846 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -3.090 -21.655 -4.686 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -2.660 -22.328 -5.230 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -3.729 -22.165 -4.131 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -5.087 -23.129 -3.576 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.511 -23.472 -2.763 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -5.826 -23.044 -4.210 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -6.537 -24.152 -1.395 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -6.009 -24.616 -0.734 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -7.374 -24.656 -1.427 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -3.711 -19.429 0.482 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -4.593 -19.672 0.186 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -3.870 -18.782 1.204 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -4.564 -17.884 2.660 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -5.422 -17.425 2.517 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -4.398 -17.776 3.619 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.568 -20.413 -1.017 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -1.194 -21.140 -0.473 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -2.343 -20.098 -0.496 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 6.404 -19.398 -0.233 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 5.658 -19.810 -0.714 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 6.334 -18.443 -0.465 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 4.012 -10.654 -2.708 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 4.754 -10.565 -2.089 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 4.316 -11.311 -3.348 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -8.255 -15.582 -3.938 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -9.020 -15.545 -4.545 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -8.659 -15.588 -3.043 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -2.644 -19.905 3.511 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -3.412 -19.358 3.274 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -1.887 -19.275 3.481 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -2.786 -22.388 2.016 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.034 -22.502 1.405 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.769 -21.440 2.241 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -0.124 -25.564 3.357 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -0.028 -26.388 2.848 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 0.514 -25.671 4.106 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.061 -19.933 -3.752 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.203 -20.117 -2.799 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -1.786 -20.425 -4.195 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -9.192 -23.357 -3.390 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -9.920 -22.911 -2.944 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -9.078 -24.182 -2.890 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 4.608 -7.979 9.072 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 5.161 -7.270 9.423 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 4.507 -8.603 9.829 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 1.234 -10.279 -3.022 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 0.959 -11.216 -3.025 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 2.210 -10.315 -2.894 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 3.002 -17.155 -1.677 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 2.650 -16.258 -1.546 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 2.452 -17.522 -2.399 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -5.272 -8.969 -4.937 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -5.051 -9.634 -5.635 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -4.576 -9.104 -4.255 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -9.539 -15.793 4.313 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -10.497 -15.669 4.464 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -9.247 -16.350 5.078 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 4.240 -8.783 4.913 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 4.658 -9.099 5.733 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 4.984 -8.531 4.353 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 5.732 -16.862 -0.974 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 4.901 -16.691 -1.460 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 6.292 -16.084 -1.174 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 3.986 -19.756 -1.661 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 3.671 -18.843 -1.483 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 3.923 -19.842 -2.623 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 1.404 -26.205 -5.932 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 0.845 -25.745 -5.260 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 1.172 -27.134 -5.834 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 2.429 -22.365 1.490 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 3.226 -22.542 2.036 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 2.768 -22.370 0.572 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 5.012 -23.182 -3.089 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 4.493 -23.829 -3.605 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 5.350 -22.568 -3.761 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 1.785 -11.034 1.589 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 2.547 -10.960 1.004 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 1.502 -11.973 1.495 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -1.425 -9.300 13.559 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -0.725 -9.233 12.874 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -1.038 -8.840 14.343 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -7.253 -11.961 7.204 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -7.940 -12.558 6.822 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -7.684 -11.074 7.207 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -5.619 -10.493 9.651 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.280 -10.521 8.948 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -4.766 -10.548 9.183 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -3.224 -11.675 5.949 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -3.127 -11.399 6.882 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -3.784 -12.475 5.991 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 0.335 -8.614 11.568 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 1.163 -8.637 12.094 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 0.344 -7.723 11.153 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 2.123 -6.807 8.425 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 2.049 -6.864 7.467 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 2.982 -7.230 8.625 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -9.031 -13.722 6.182 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -9.292 -14.445 6.805 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -9.143 -14.121 5.301 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -1.608 -8.311 4.526 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -1.103 -8.865 5.135 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -2.224 -8.940 4.084 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -8.982 -25.460 -1.049 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -8.371 -26.024 -0.514 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -9.832 -25.958 -1.034 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 1.725 -26.177 0.222 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 0.864 -25.755 0.130 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 1.585 -26.856 0.921 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.283 -22.922 -0.008 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -8.410 -22.655 -0.319 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.330 -23.876 -0.225 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -0.319 -22.404 0.473 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -0.080 -23.072 -0.188 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 0.481 -22.328 1.034 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -3.050 -9.272 -3.371 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -2.707 -8.439 -3.750 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -2.464 -9.435 -2.601 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 1.617 -14.336 -1.831 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.474 -14.347 -2.320 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 1.035 -13.770 -2.379 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -4.186 -13.109 25.712 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -3.672 -12.681 26.416 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -4.838 -13.670 26.202 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -5.724 -14.603 27.327 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -6.510 -14.415 27.875 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -5.051 -14.896 27.969 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 5.687 -20.120 26.614 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 5.366 -19.208 26.581 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 6.476 -20.118 26.028 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -3.677 -17.734 28.270 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -3.015 -18.413 28.524 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -3.921 -17.970 27.366 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -6.836 -12.513 32.078 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -6.083 -12.382 31.463 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -7.619 -12.322 31.537 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -9.359 -11.485 24.848 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -10.178 -12.026 24.821 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -8.923 -11.754 25.689 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 7.327 -14.038 30.468 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 7.680 -13.914 31.356 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 6.562 -13.414 30.423 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -0.315 -17.057 29.657 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -0.810 -16.473 30.280 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 0.540 -16.591 29.523 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -5.679 -12.338 20.160 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -5.744 -11.376 20.330 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -6.610 -12.630 20.103 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -7.695 -13.909 29.208 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -8.412 -13.437 29.686 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -7.251 -14.434 29.908 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 2.188 -15.930 29.474 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 2.604 -15.271 30.039 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 2.642 -16.768 29.702 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 7.377 -16.838 30.215 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 7.246 -16.984 31.174 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 7.399 -15.865 30.125 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -3.768 -14.508 23.391 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -3.955 -15.425 23.642 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -3.771 -14.022 24.245 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -5.871 -9.755 25.206 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -5.756 -10.561 24.664 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -5.735 -10.067 26.131 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -3.235 -13.102 21.052 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -3.248 -13.674 21.853 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -4.159 -12.793 20.965 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 1.603 -12.915 29.363 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 1.431 -13.584 28.668 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 2.397 -12.434 29.042 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -8.336 -11.977 27.349 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -8.098 -12.767 27.881 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -9.162 -11.650 27.765 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 0.122 -13.158 31.700 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 0.706 -13.016 30.923 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 0.717 -13.533 32.381 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -1.587 -19.353 29.058 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -1.410 -19.980 29.783 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -1.212 -18.501 29.379 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -8.504 -12.480 19.632 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -9.365 -12.054 19.797 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -8.685 -13.441 19.772 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -7.899 -11.050 22.592 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -7.049 -11.443 22.886 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -8.516 -11.244 23.334 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 5.082 -12.597 26.255 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 4.568 -12.754 25.436 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 5.456 -13.479 26.477 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 7.087 -10.071 28.117 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 7.091 -10.030 29.078 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 7.288 -11.008 27.917 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 6.837 -17.112 32.916 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 6.767 -16.519 33.692 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 5.944 -17.505 32.833 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 5.174 -21.344 31.237 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 6.004 -21.104 31.688 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.441 -21.486 30.303 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -9.474 -12.310 30.527 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -10.160 -12.381 31.216 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -9.930 -11.855 29.785 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -5.737 -11.046 27.674 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -5.457 -11.405 28.538 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -6.662 -11.349 27.578 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -4.798 -12.398 30.160 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -4.591 -13.312 29.916 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -3.939 -12.037 30.483 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -0.579 -11.399 28.601 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 0.233 -11.844 28.920 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -1.161 -12.142 28.311 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -5.236 -7.969 23.195 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -6.148 -7.762 22.892 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -5.372 -8.527 23.992 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 3.712 -11.405 28.284 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.700 -10.457 28.097 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 4.248 -11.787 27.551 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -8.543 -8.858 25.130 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -7.586 -8.987 25.295 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -8.883 -9.766 24.978 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -5.588 -12.085 23.621 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.153 -12.366 24.459 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -5.388 -12.803 23.004 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.051 -13.602 27.974 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -1.242 -14.126 27.845 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.634 -14.186 28.505 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 5.338 -12.218 30.369 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 4.699 -12.405 31.096 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 4.778 -11.880 29.641 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 1.895 -16.281 36.646 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 2.575 -16.206 35.953 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 1.188 -15.675 36.351 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -11.226 -20.358 34.484 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -10.898 -19.476 34.210 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -11.109 -20.911 33.692 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -13.564 -22.396 40.904 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -13.159 -22.220 40.034 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -14.509 -22.397 40.730 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -3.654 -22.295 38.396 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -4.626 -22.271 38.529 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -3.409 -21.365 38.232 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -0.722 -22.051 38.433 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -0.991 -21.131 38.249 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -1.553 -22.493 38.666 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -6.514 -22.564 38.504 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -6.865 -23.464 38.623 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -7.308 -21.987 38.566 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -5.938 -20.073 36.768 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -6.322 -20.795 37.300 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -5.704 -20.504 35.911 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -0.192 -14.952 35.439 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -0.734 -14.309 35.944 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -0.821 -15.672 35.225 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -7.519 -13.948 34.352 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -8.458 -13.659 34.354 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -7.108 -13.411 33.632 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -0.318 -18.093 36.918 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.868 -17.544 36.329 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 0.520 -17.598 36.994 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 5.056 -16.711 37.216 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 4.931 -17.530 36.698 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 4.281 -16.675 37.792 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -4.298 -17.927 37.036 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -4.988 -17.286 36.817 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -4.758 -18.797 36.989 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 3.760 -26.857 31.051 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 3.210 -27.332 31.725 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 3.685 -25.915 31.300 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -7.261 -17.702 36.165 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -6.846 -18.581 36.313 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -8.139 -17.774 36.614 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.285 -21.198 34.394 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.025 -21.104 33.465 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.257 -22.161 34.554 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -2.266 -19.727 37.918 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -1.463 -19.253 37.601 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -2.976 -19.070 37.830 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 4.252 -23.845 36.671 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 4.498 -24.726 37.040 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 3.567 -23.513 37.285 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -10.507 -24.578 39.154 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -10.838 -24.516 40.083 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -9.542 -24.674 39.251 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -3.307 -24.903 37.626 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -3.434 -23.965 37.893 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -2.358 -25.035 37.675 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -8.524 -20.734 38.273 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -8.399 -19.799 38.477 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -9.441 -20.782 37.936 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -7.842 -25.387 38.486 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -7.111 -25.502 37.839 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -8.341 -26.225 38.431 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -2.287 -16.764 35.457 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -2.881 -16.078 35.088 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -2.889 -17.368 35.935 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 1.886 -22.876 38.178 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 2.183 -22.662 39.070 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 0.929 -22.632 38.182 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -2.107 -13.575 36.895 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.862 -12.834 37.457 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -2.735 -14.101 37.449 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 6.494 -20.850 35.314 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 7.368 -21.278 35.486 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 5.866 -21.402 35.799 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -4.010 -15.066 38.112 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -3.871 -16.013 38.254 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -4.898 -15.011 37.705 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 1.782 -14.353 33.592 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 2.441 -15.034 33.854 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 1.040 -14.485 34.223 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 3.710 -16.084 34.532 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 3.958 -17.004 34.756 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 4.554 -15.591 34.592 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -3.859 -15.222 29.305 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -3.759 -16.155 28.993 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -3.754 -15.283 30.276 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -4.115 -14.921 32.133 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -4.045 -14.711 33.089 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -5.076 -14.905 31.955 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.176 -15.208 36.406 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.669 -16.056 36.364 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -6.691 -14.604 35.822 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 1.898 -23.422 35.322 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 2.844 -23.557 35.515 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 1.543 -23.047 36.146 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -1.473 -25.648 33.183 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -2.064 -26.314 33.614 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -0.679 -25.625 33.754 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -6.686 -15.557 31.168 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.371 -16.360 30.735 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -7.125 -15.880 31.981 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -7.823 -28.496 40.527 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -8.261 -28.197 39.706 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -7.038 -27.942 40.591 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -2.182 -11.762 30.857 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -1.499 -12.189 31.407 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -1.688 -11.420 30.092 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 3.691 -12.750 32.445 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 3.731 -12.075 33.129 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 2.986 -13.357 32.751 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -7.707 -16.579 33.605 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -7.679 -15.648 33.913 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -7.463 -17.101 34.398 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -1.520 -15.336 31.335 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -2.393 -15.174 31.748 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -1.020 -14.512 31.500 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -3.884 -14.597 34.917 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -3.292 -14.025 35.448 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -4.697 -14.663 35.454 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 4.632 -18.709 32.426 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 4.082 -18.403 31.677 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 4.900 -19.610 32.166 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -11.662 -15.531 34.102 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -10.980 -14.846 34.216 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -11.172 -16.372 34.159 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 4.814 -18.578 35.157 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 4.605 -18.706 34.208 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 5.424 -19.314 35.365 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 8.779 -24.385 33.966 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 7.848 -24.316 34.278 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 8.821 -25.262 33.535 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 8.704 -22.343 35.860 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 9.327 -22.481 36.581 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 8.911 -23.058 35.223 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 6.110 -24.177 34.624 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 5.713 -23.818 33.816 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 5.484 -23.922 35.337 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -13.766 -27.422 46.097 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -14.070 -26.862 46.817 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -13.132 -28.016 46.508 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 4.100 -23.974 31.034 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 5.009 -24.268 31.281 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 4.143 -23.001 31.098 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -11.531 -24.079 41.640 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -12.259 -23.434 41.485 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -11.626 -24.323 42.564 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -5.771 -25.547 36.655 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -4.891 -25.477 37.095 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -5.746 -24.852 35.967 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 1.210 -25.488 33.766 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 1.432 -24.662 34.263 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 1.767 -26.175 34.191 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -8.282 1.775 -13.441 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -8.114 2.560 -13.978 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -8.703 2.129 -12.625 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -11.591 -1.857 -17.998 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -10.979 -1.374 -17.419 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -12.041 -1.161 -18.497 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -7.773 -7.922 -12.650 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -7.521 -7.137 -13.192 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -7.632 -8.670 -13.244 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -5.887 0.225 -12.937 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -6.673 0.713 -13.243 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -6.085 0.011 -12.019 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -10.391 -2.936 -13.087 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -9.923 -2.105 -13.308 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -10.341 -3.465 -13.923 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -6.077 3.457 -9.162 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -5.359 3.771 -9.721 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -6.844 4.017 -9.420 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -5.521 -5.360 -12.118 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -4.795 -4.760 -12.412 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -6.025 -5.539 -12.938 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -10.151 0.339 -16.829 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -9.444 0.718 -17.361 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -10.976 0.655 -17.267 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -3.267 -0.645 -13.238 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -4.194 -0.327 -13.132 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -2.991 -0.283 -14.086 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -5.038 0.875 -9.025 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -4.209 1.266 -8.671 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -5.641 1.639 -9.104 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -6.733 -1.279 -9.397 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -6.029 -0.597 -9.369 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -6.254 -2.110 -9.632 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -8.009 5.141 -10.126 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -7.778 6.002 -10.551 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -8.757 5.369 -9.525 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -9.248 2.933 -11.142 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -9.185 2.323 -10.392 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -8.713 3.712 -10.864 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -10.139 5.884 -8.628 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -9.942 6.172 -7.715 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -11.069 5.565 -8.584 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -1.649 -9.175 -8.805 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -0.688 -9.328 -8.855 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -2.018 -9.715 -9.534 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -1.622 -1.019 -11.028 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -0.874 -0.436 -11.184 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -2.213 -0.862 -11.797 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -7.311 -3.676 -15.899 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -6.865 -3.740 -16.752 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -6.881 -2.929 -15.460 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -11.557 -4.589 -17.744 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -11.599 -3.630 -17.966 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -12.424 -4.943 -18.052 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -3.699 -3.403 -12.726 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -3.533 -2.479 -12.989 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -3.187 -3.510 -11.898 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -7.061 -5.970 -14.376 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -7.196 -5.098 -14.802 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -7.440 -6.610 -15.024 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -11.347 2.721 -5.888 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -11.408 2.646 -4.911 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -10.396 2.902 -6.055 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -8.308 -7.707 -16.062 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -9.262 -7.484 -16.136 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -8.084 -8.070 -16.925 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -2.652 -3.381 -10.184 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -2.176 -2.539 -10.372 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -2.424 -3.582 -9.253 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -9.917 -0.381 -14.176 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -9.311 0.332 -13.892 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -10.042 -0.218 -15.137 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -10.951 8.335 -9.672 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -10.652 7.435 -9.442 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -10.142 8.881 -9.594 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -2.789 -3.814 -7.478 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -3.741 -3.823 -7.639 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -2.693 -3.320 -6.639 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -3.075 2.080 -7.453 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -3.104 2.869 -6.895 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -2.387 1.521 -7.045 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -10.244 -7.585 -11.536 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -9.352 -7.594 -11.953 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -10.555 -6.660 -11.655 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -3.614 7.133 -7.198 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -3.549 6.215 -6.883 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -3.683 7.052 -8.154 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -6.728 0.541 -5.610 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -6.563 1.477 -5.837 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -5.854 0.114 -5.715 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -10.204 -1.452 -4.712 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -9.923 -0.569 -4.429 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -10.722 -1.794 -3.952 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -4.438 -0.565 -6.774 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -4.807 -0.179 -7.592 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -3.515 -0.244 -6.756 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -7.905 -1.566 -6.928 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -7.380 -1.411 -7.738 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -7.651 -0.830 -6.334 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -9.403 -0.526 -9.204 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -9.447 -0.639 -8.241 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.498 -0.817 -9.436 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -5.377 -3.558 -9.947 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -5.620 -4.194 -10.646 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -4.407 -3.451 -10.051 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -1.671 -0.194 -6.436 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -0.818 -0.434 -6.819 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -1.923 -0.976 -5.904 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -4.345 -4.289 -3.798 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -4.531 -5.012 -4.442 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -3.864 -4.736 -3.070 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -6.832 -8.471 -7.619 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -6.314 -9.063 -8.199 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -6.236 -8.280 -6.885 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -10.084 -4.065 -15.494 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -10.597 -4.228 -16.315 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -9.164 -3.968 -15.801 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -7.668 7.677 -11.075 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -7.989 8.383 -10.474 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -7.313 8.155 -11.830 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -8.592 9.827 -9.578 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -8.773 10.655 -10.037 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -8.177 10.113 -8.726 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -12.387 -9.212 -17.434 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -12.288 -9.277 -18.390 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -11.825 -8.442 -17.184 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -0.034 -6.934 -5.471 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -0.683 -6.891 -4.733 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 0.374 -6.065 -5.477 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -11.351 -2.359 0.128 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -11.318 -1.392 0.314 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -10.993 -2.773 0.944 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -4.192 -4.385 4.218 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -3.371 -4.284 3.683 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -4.003 -5.166 4.793 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -10.180 -3.725 2.203 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -9.337 -4.223 2.235 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -10.749 -4.189 2.841 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -5.604 -2.632 5.860 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.986 -2.023 6.270 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.034 -3.274 5.387 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -6.469 -3.087 3.262 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -6.571 -2.677 4.145 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -5.594 -3.527 3.310 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -3.398 -7.019 8.400 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -2.954 -7.671 8.983 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -4.273 -6.881 8.817 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -8.046 -1.928 -1.836 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.904 -1.893 -0.859 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -9.008 -2.013 -1.931 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -9.029 8.389 -0.931 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -8.395 8.807 -1.553 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -8.770 8.736 -0.069 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.825 -6.157 9.514 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.556 -6.450 10.103 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -6.275 -5.738 8.769 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -2.989 -10.920 8.738 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -2.687 -10.050 9.091 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -2.577 -11.564 9.325 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -3.092 -2.289 -5.211 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -3.497 -2.973 -4.631 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -3.861 -1.835 -5.621 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.908 -2.145 0.933 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.758 -2.153 1.398 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -7.253 -2.326 1.633 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -8.954 -3.808 -4.802 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -9.785 -4.157 -5.185 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -9.117 -2.838 -4.734 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -12.888 -4.660 0.332 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -12.492 -3.814 0.044 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -13.211 -4.474 1.235 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -7.922 -5.210 2.467 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -7.394 -4.419 2.731 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -7.605 -5.907 3.049 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -5.508 -1.900 -3.006 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -5.234 -2.806 -3.248 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -6.379 -2.019 -2.576 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -3.465 2.916 -3.488 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -3.772 1.979 -3.582 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -2.669 2.846 -2.947 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.831 4.668 -5.578 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -3.626 3.988 -4.897 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -3.937 5.494 -5.060 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -7.171 10.053 -2.213 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.569 10.066 -2.985 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -7.050 10.932 -1.808 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -11.198 0.266 -2.517 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -10.227 0.292 -2.526 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -11.461 1.148 -2.833 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -3.953 14.192 -1.157 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -3.974 15.146 -1.033 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -3.124 13.917 -0.751 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -9.194 -8.700 9.850 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -9.888 -8.931 10.499 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -8.636 -8.046 10.321 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -6.082 3.210 -6.393 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -5.333 3.778 -6.122 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -6.065 3.243 -7.374 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -9.155 2.554 -1.976 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -8.388 3.109 -1.725 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -8.761 1.826 -2.512 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -8.451 0.365 -3.438 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -7.892 0.478 -4.242 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -8.056 -0.404 -2.981 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -7.438 4.396 -0.918 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -6.714 4.606 -1.561 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -6.973 4.219 -0.092 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -1.779 -4.338 2.883 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -1.238 -5.149 2.897 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -1.156 -3.641 2.664 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -5.311 4.785 -2.519 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -4.978 5.565 -3.004 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -4.752 4.048 -2.839 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -11.190 -8.232 3.845 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -10.894 -8.855 4.548 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -11.987 -8.675 3.463 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -9.851 5.753 -0.764 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -9.505 6.668 -0.799 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -9.052 5.194 -0.879 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -8.803 3.728 -6.153 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -8.774 4.692 -6.144 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -7.863 3.458 -6.102 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -3.887 0.237 -3.592 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -3.251 -0.357 -4.007 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.600 -0.362 -3.276 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -4.268 -4.665 11.220 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.036 -5.201 11.996 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -4.801 -5.272 10.658 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -5.491 -7.599 12.640 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -4.526 -7.411 12.643 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -5.782 -7.393 13.557 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -5.385 -2.243 11.855 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -4.846 -1.609 11.368 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -5.022 -3.121 11.587 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -2.101 -8.718 10.181 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -1.179 -8.861 10.477 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -2.506 -8.205 10.912 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -1.931 -5.025 9.693 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.368 -5.583 9.023 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -2.661 -4.718 10.261 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 2.342 -5.524 12.404 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.597 -5.672 11.775 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 2.575 -4.601 12.279 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -7.734 -6.956 11.327 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.405 -6.890 12.041 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -6.915 -7.237 11.796 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -3.091 -11.446 13.501 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -2.428 -10.717 13.508 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -3.800 -11.117 12.911 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -5.197 -10.030 15.111 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -5.040 -10.108 14.150 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -4.614 -9.287 15.393 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -3.989 6.872 -3.790 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -4.024 7.688 -4.334 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -3.430 7.114 -3.040 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -14.204 9.034 0.098 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -14.737 8.222 0.218 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -13.322 8.705 -0.146 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -11.884 7.752 -0.982 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -11.471 6.884 -0.806 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -11.128 8.362 -1.046 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -7.678 -1.166 12.976 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -6.912 -1.530 12.483 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -7.953 -0.404 12.458 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 4.133 -8.771 15.508 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 3.987 -9.136 14.625 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 3.333 -8.231 15.675 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -11.462 -5.497 4.147 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -11.328 -6.447 3.914 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -11.316 -5.467 5.099 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 5.965 -11.110 13.054 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 5.564 -11.941 12.682 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 6.901 -11.337 13.175 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -8.521 -9.599 7.411 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -8.815 -8.867 6.856 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -8.780 -9.327 8.327 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 2.732 -8.170 12.910 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 2.698 -7.191 12.811 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 3.470 -8.445 12.339 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -0.206 -6.785 2.750 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -0.766 -7.191 3.449 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 0.684 -7.164 2.912 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -3.338 -6.482 5.691 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -2.677 -7.092 5.306 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -3.307 -6.669 6.652 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 1.886 -8.669 3.332 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 1.943 -9.529 2.879 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 2.636 -8.681 3.964 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -3.113 -5.281 -1.510 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -2.658 -5.849 -0.842 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -3.269 -4.450 -1.043 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -5.281 -10.257 12.317 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -5.490 -10.481 11.380 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -5.422 -9.286 12.363 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 0.470 -6.080 10.504 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 0.986 -6.244 9.681 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -0.352 -5.632 10.189 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 3.624 -6.166 24.736 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 4.422 -5.660 24.998 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 3.733 -7.027 25.179 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 1.535 -6.220 23.047 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 2.295 -6.067 23.658 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 1.775 -5.719 22.233 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 0.304 -7.345 20.329 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 0.862 -8.088 19.999 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 0.928 -6.596 20.419 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 2.014 -8.924 22.600 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 2.000 -7.960 22.773 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 2.939 -9.184 22.760 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 3.846 -8.763 25.759 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 2.879 -8.688 25.949 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 3.889 -9.285 24.937 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -3.482 -9.235 21.468 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -4.173 -9.622 20.915 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -3.976 -8.692 22.116 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -6.237 -9.663 20.621 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -6.818 -9.988 21.341 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -6.300 -8.696 20.690 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -0.997 -8.993 27.421 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -0.802 -9.860 27.851 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -1.803 -8.694 27.851 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -2.828 -7.251 12.495 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -2.311 -7.951 12.951 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -2.804 -6.490 13.118 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 0.551 -2.535 20.263 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 0.695 -1.883 20.958 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 1.222 -2.302 19.574 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 1.734 -5.013 20.617 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 1.289 -4.153 20.474 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 2.176 -5.200 19.762 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -1.363 -8.995 17.956 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -1.656 -8.201 18.453 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -2.139 -9.244 17.438 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -7.083 -3.769 17.316 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -7.512 -3.331 16.544 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -6.539 -3.077 17.709 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -4.635 -5.919 19.654 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -3.770 -6.373 19.586 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -4.512 -5.280 20.377 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -5.603 -6.081 17.122 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -5.272 -6.138 18.050 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -6.075 -5.223 17.094 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -1.169 -6.083 22.613 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -0.214 -6.072 22.846 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -1.226 -5.518 21.817 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -5.682 -3.655 14.260 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -6.575 -3.489 14.618 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -5.624 -3.065 13.484 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -3.984 -3.878 21.742 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -4.611 -3.224 22.068 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -3.862 -4.496 22.506 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -3.735 -7.901 16.052 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -4.352 -7.251 16.452 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -2.971 -7.370 15.787 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -7.923 -7.934 22.535 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -8.655 -8.236 21.973 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -8.248 -8.078 23.446 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -2.030 -6.662 19.226 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -1.213 -7.009 19.650 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -1.997 -5.700 19.416 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 2.675 -1.884 18.709 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 2.935 -1.201 18.086 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 3.514 -2.370 18.896 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 1.232 -8.224 26.072 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 1.066 -7.293 25.888 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 0.435 -8.515 26.577 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 1.037 -9.713 19.362 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 1.203 -10.668 19.313 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 0.220 -9.584 18.839 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -1.573 -4.321 20.451 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -0.944 -3.576 20.339 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -2.365 -3.911 20.859 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -3.421 -5.153 14.084 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -2.778 -4.564 14.493 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -4.290 -4.714 14.254 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -8.217 -2.833 15.032 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -9.136 -3.097 14.895 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -8.072 -2.116 14.366 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -3.682 -5.730 23.656 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -4.192 -6.561 23.561 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -2.759 -5.988 23.447 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 2.145 -6.909 16.021 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 2.402 -6.183 15.438 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 2.366 -6.585 16.923 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 3.054 -6.214 18.517 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 3.877 -5.732 18.748 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 3.314 -7.149 18.561 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 4.373 -10.236 23.423 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 5.259 -10.334 23.841 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 3.945 -11.101 23.572 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 5.560 -5.669 19.482 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 5.680 -5.943 20.423 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 5.692 -6.498 18.972 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 5.295 -7.932 17.841 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 4.944 -8.219 16.970 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 5.912 -8.649 18.098 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -9.705 -9.756 21.010 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -9.042 -10.244 21.548 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -10.413 -10.404 20.861 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 6.331 -7.893 26.503 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 5.415 -8.210 26.340 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 6.727 -8.594 27.066 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 5.843 -6.408 22.133 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.341 -7.104 22.606 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 5.483 -5.858 22.838 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -7.076 -10.661 18.105 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -6.670 -10.130 18.816 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -7.635 -11.310 18.584 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -1.037 -11.434 20.905 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -0.349 -12.028 20.589 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -1.835 -12.004 20.979 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -0.424 -7.864 15.609 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 0.498 -7.531 15.663 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -0.613 -8.186 16.512 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -5.468 12.657 -6.220 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -6.386 12.998 -6.090 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -4.985 13.411 -6.575 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -10.203 14.560 -7.024 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -10.564 14.466 -7.909 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -10.992 14.727 -6.461 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -7.545 11.069 -7.407 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -6.627 11.279 -7.170 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -8.072 11.716 -6.903 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -3.587 9.133 -5.348 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -2.800 9.650 -5.556 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -3.668 8.504 -6.103 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -8.033 13.424 -5.872 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -8.252 13.486 -4.917 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -8.756 13.928 -6.316 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -6.054 12.685 -2.114 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -5.330 13.232 -1.729 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -5.606 12.140 -2.795 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -9.249 10.803 -3.770 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -8.638 10.411 -3.120 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -9.006 11.750 -3.780 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -5.241 10.942 -4.098 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -5.319 11.578 -4.845 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -4.648 10.243 -4.446 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 9.372 -30.725 6.325 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 10.224 -30.952 5.886 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 9.226 -31.451 6.959 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 9.897 -30.684 10.031 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 9.401 -30.572 10.868 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 9.356 -31.317 9.514 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 12.708 -26.849 9.775 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 12.158 -26.199 9.329 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 12.402 -27.708 9.418 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 5.836 -31.175 9.233 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 5.713 -30.613 8.425 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 4.949 -31.585 9.369 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 7.865 -28.950 4.793 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 8.284 -29.723 5.221 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 7.610 -29.272 3.905 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 5.631 -24.083 4.995 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 4.906 -24.679 5.286 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 5.978 -23.696 5.842 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 8.252 -32.293 8.529 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.382 -31.877 8.724 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.075 -33.238 8.565 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 8.190 -30.156 12.139 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 7.459 -30.786 12.306 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 8.389 -29.776 13.024 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 11.758 -30.583 4.925 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 12.514 -30.800 4.374 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 11.550 -29.649 4.693 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 7.768 -28.229 10.221 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 7.864 -28.655 9.360 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.039 -28.919 10.861 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 12.197 -26.919 13.866 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.982 -26.596 13.365 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 11.820 -27.592 13.297 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 6.026 -33.767 14.138 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 6.365 -33.229 13.401 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 5.355 -33.190 14.563 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 5.304 -27.355 1.451 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 5.088 -26.458 1.124 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 4.780 -27.439 2.281 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 7.050 -29.274 2.189 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 6.427 -28.563 1.895 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 6.736 -30.063 1.736 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 8.227 -24.103 11.953 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 8.062 -24.997 12.291 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 8.206 -24.208 10.975 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 11.731 -29.199 8.727 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 11.107 -29.729 9.284 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 12.352 -29.852 8.385 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 8.991 -27.303 2.527 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.366 -28.050 2.418 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 8.551 -26.717 3.187 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 10.998 -28.020 4.339 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 10.345 -27.741 3.665 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 10.555 -27.839 5.190 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 10.305 -29.315 24.891 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.017 -30.232 24.975 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 11.186 -29.301 25.323 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 10.197 -31.029 28.943 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 10.855 -31.689 29.196 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 9.396 -31.564 28.717 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 6.042 -31.121 17.488 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 5.409 -30.783 18.130 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 5.749 -32.047 17.334 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 10.868 -28.419 28.108 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 11.625 -28.607 27.512 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.625 -29.300 28.467 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 3.580 -34.517 27.388 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 3.191 -35.319 26.995 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 2.898 -33.832 27.237 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 8.183 -26.623 22.545 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 8.640 -26.164 21.798 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 7.750 -25.897 23.036 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 7.961 -32.515 28.561 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 7.275 -32.548 27.865 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 7.542 -32.965 29.321 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 3.470 -31.294 28.486 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 2.800 -31.705 27.895 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 4.310 -31.711 28.217 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 13.275 -28.825 23.605 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 12.767 -28.400 22.898 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 14.060 -29.201 23.146 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 10.649 -28.156 22.341 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.648 -28.645 23.185 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 9.836 -27.622 22.376 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 6.412 -35.980 15.785 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 7.258 -35.945 16.239 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 6.419 -35.192 15.200 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.508 -27.034 19.904 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.316 -27.614 20.670 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.231 -27.556 19.132 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.881 -29.031 17.047 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 7.295 -29.793 17.243 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.063 -29.112 16.095 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.921 -28.224 32.115 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 12.611 -27.587 32.307 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.339 -27.765 31.483 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.657 -28.540 14.373 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 9.388 -28.048 14.776 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.166 -27.864 13.859 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 5.590 -32.725 27.065 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 5.444 -32.508 26.136 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 5.016 -33.512 27.220 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 8.879 -29.630 30.942 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 9.389 -30.140 30.284 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 7.998 -30.049 30.942 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 12.770 -29.207 26.228 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 13.027 -28.966 25.302 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 13.581 -29.567 26.609 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 10.345 -26.702 30.267 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 10.450 -27.378 29.563 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 10.528 -25.852 29.810 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 9.485 -26.948 26.140 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 9.989 -27.251 26.924 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 9.683 -27.622 25.460 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 15.518 -29.943 22.417 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 15.893 -30.815 22.581 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 16.165 -29.507 21.855 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 12.062 -25.848 16.411 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 11.261 -26.327 16.700 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 12.198 -26.149 15.486 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 9.874 -29.546 33.482 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.434 -29.610 32.610 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 10.775 -29.241 33.266 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 10.838 -17.800 5.006 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.741 -18.025 5.961 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.948 -18.675 4.570 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.010 -20.971 1.937 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 7.692 -20.487 2.418 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 6.783 -20.383 1.183 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 9.721 -22.487 3.993 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 9.123 -22.813 3.284 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 9.222 -22.635 4.811 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 13.290 -20.989 2.343 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 13.466 -20.084 2.006 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 13.494 -21.569 1.586 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.133 -15.999 7.898 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 12.447 -15.358 8.164 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.217 -15.875 6.947 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 11.009 -14.143 8.263 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 10.120 -14.010 8.662 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 10.813 -14.470 7.355 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 7.664 -14.796 -1.285 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 8.140 -14.327 -0.587 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.332 -15.430 -1.650 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.542 -24.406 2.990 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.984 -23.747 3.445 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.502 -25.185 3.556 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 12.684 -16.692 3.283 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 12.615 -15.747 3.435 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 12.033 -17.084 3.901 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 15.555 -17.472 -0.179 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 16.289 -17.144 -0.702 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 15.293 -18.306 -0.626 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 11.852 -12.844 10.564 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.274 -12.057 10.620 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 11.639 -13.237 9.690 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 6.663 -18.415 10.627 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 5.832 -18.494 10.130 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.278 -17.992 9.990 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.666 -11.029 11.141 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 9.098 -10.701 10.423 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.083 -11.601 11.665 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 14.350 -19.855 -0.864 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 13.821 -19.452 -0.152 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 14.220 -20.816 -0.740 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 10.233 -15.308 5.938 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 10.484 -16.155 5.510 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 9.272 -15.317 5.931 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 8.507 -13.802 9.310 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 8.503 -14.515 9.979 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 7.593 -13.456 9.325 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.487 -20.365 4.250 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 10.838 -21.100 4.223 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.155 -20.614 3.565 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 10.593 -18.586 7.562 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 10.241 -19.490 7.644 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.493 -18.644 7.950 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.849 -22.459 -0.028 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.994 -22.952 -0.037 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 14.518 -23.150 0.005 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 3.575 -22.391 -0.964 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 4.164 -22.748 -1.675 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 3.646 -21.416 -1.069 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 8.138 -23.715 2.059 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.570 -24.277 1.378 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 7.576 -23.111 1.549 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 8.793 -15.881 11.187 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.526 -15.477 11.692 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 7.978 -15.589 11.673 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 11.645 -24.032 0.304 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 10.883 -24.599 0.087 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 11.713 -24.093 1.284 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.508 -19.522 6.037 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 12.734 -19.879 5.558 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.176 -19.408 5.352 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 13.558 -18.452 1.409 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 13.171 -17.830 2.066 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 14.301 -17.946 1.013 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.721 -16.600 12.666 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 12.493 -16.072 12.369 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 11.663 -17.329 12.015 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.103 -18.756 -0.491 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 9.670 -19.500 -0.267 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.198 -19.119 -0.446 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 7.957 -10.738 8.675 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.606 -11.339 8.287 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 7.237 -11.333 8.992 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 9.453 -16.631 -2.131 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.239 -16.856 -2.638 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 9.346 -17.387 -1.505 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 6.312 -10.913 -0.799 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 6.103 -10.271 -0.112 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 7.191 -11.269 -0.533 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.740 -9.852 15.166 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.490 -9.682 14.546 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 7.229 -9.035 15.146 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 8.207 -12.837 13.253 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 7.526 -13.464 12.879 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 9.069 -13.281 13.052 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 13.460 -14.598 11.891 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 12.948 -13.933 11.372 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.299 -14.668 11.422 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 8.566 -17.488 8.985 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.355 -17.616 8.418 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 8.859 -16.847 9.669 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 11.408 -18.801 10.882 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 10.695 -19.306 10.439 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 12.132 -18.782 10.218 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 17.462 -25.769 8.489 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 17.087 -25.227 7.793 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 18.347 -25.971 8.185 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 13.096 -18.648 8.639 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 13.427 -19.097 7.828 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 13.289 -17.697 8.479 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.956 -28.113 6.951 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.678 -28.325 7.579 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.619 -28.992 6.673 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.254 -24.110 9.201 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 9.002 -23.546 8.962 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 7.543 -23.829 8.571 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 14.154 -26.444 12.035 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 15.078 -26.439 11.771 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 13.663 -26.561 11.191 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 6.127 -12.987 -2.546 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 6.167 -12.226 -1.926 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 6.722 -13.660 -2.136 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.699 -11.848 0.227 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.648 -12.009 0.196 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.584 -11.227 0.983 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 4.822 -22.275 2.984 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 5.149 -22.963 3.609 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 5.638 -21.852 2.647 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 6.024 -12.486 9.334 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 5.701 -12.694 10.253 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 5.255 -12.643 8.775 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 6.048 -9.337 7.070 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 5.480 -8.858 7.710 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 6.718 -9.780 7.632 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.481 -9.151 4.650 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 6.947 -9.341 5.448 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 8.234 -8.655 4.985 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 8.218 -9.874 2.063 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.894 -9.835 2.989 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 8.453 -8.964 1.859 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 7.902 -25.432 4.159 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 7.092 -25.122 4.614 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.006 -24.806 3.411 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.321 -25.612 0.405 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 9.040 -26.173 -0.325 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.344 -26.221 1.181 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 12.034 -24.541 18.804 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 12.106 -25.387 19.292 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 12.261 -24.785 17.876 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 12.514 -19.599 23.574 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 11.698 -19.062 23.568 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 12.577 -19.944 22.653 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.807 -12.551 25.474 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 9.204 -13.435 25.293 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.553 -12.594 26.419 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 5.446 -18.194 19.727 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 5.770 -17.978 20.629 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 4.468 -18.165 19.811 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 6.366 -17.349 22.244 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.118 -16.767 22.465 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 5.772 -17.264 23.000 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.219 -20.432 21.020 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 11.876 -20.014 20.203 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 11.930 -21.366 20.950 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 10.117 -18.279 23.338 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.427 -17.640 23.080 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 9.767 -19.146 23.043 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 10.463 -22.433 24.956 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 9.797 -23.094 25.240 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 11.291 -22.733 25.385 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 9.528 -20.951 22.861 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.963 -21.541 23.515 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 9.889 -21.240 22.006 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 11.856 -16.189 23.757 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 11.341 -17.008 23.619 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.362 -16.088 22.944 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.834 -16.744 19.360 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.546 -17.683 19.306 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 12.541 -16.678 18.709 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 9.521 -17.483 26.574 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 10.124 -18.177 26.241 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 9.197 -17.845 27.431 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 10.649 -10.436 21.295 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 10.274 -10.687 22.169 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 10.778 -9.488 21.362 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 6.195 -15.013 26.867 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 6.470 -15.709 26.228 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 5.986 -15.506 27.673 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 13.493 -20.412 25.919 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 13.238 -20.168 24.992 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 14.384 -20.063 26.017 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 10.684 -20.006 26.140 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 11.650 -19.853 26.105 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 10.559 -20.838 25.629 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 9.237 -20.165 9.623 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.966 -20.804 8.903 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 8.747 -19.347 9.410 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.196 -19.342 18.930 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.494 -18.525 19.385 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.234 -19.336 19.043 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 11.607 -19.728 16.110 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.184 -19.566 15.243 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 12.310 -20.356 15.915 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 8.975 -21.435 12.049 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 9.032 -21.227 11.089 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 8.747 -22.396 12.075 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 11.071 -22.909 20.842 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.493 -23.616 21.174 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 11.552 -23.327 20.097 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 8.910 -17.018 20.123 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 8.622 -16.759 21.018 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.760 -16.557 20.007 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 9.796 -15.103 25.140 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 10.665 -15.287 24.713 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 9.692 -15.831 25.788 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.570 -18.824 28.762 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.475 -19.577 29.372 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.153 -18.073 29.243 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 10.597 -14.825 20.846 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 10.727 -13.944 20.428 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 11.214 -15.412 20.360 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 8.762 -15.885 22.646 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 8.904 -15.521 23.546 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 9.405 -15.387 22.084 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 11.161 -12.467 19.526 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 10.980 -11.737 20.161 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 11.776 -12.073 18.881 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 10.400 -21.516 28.504 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 10.360 -20.828 27.807 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.872 -21.145 29.233 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 7.651 -12.832 27.963 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 7.148 -13.532 27.501 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 7.768 -13.184 28.868 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 13.119 -13.087 14.253 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 13.394 -13.716 13.562 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 13.459 -13.478 15.085 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 9.612 -14.710 16.075 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 10.058 -14.807 16.925 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 9.620 -13.743 15.910 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 14.024 -13.592 16.860 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.773 -13.743 17.442 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 13.595 -12.789 17.224 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 11.002 -19.319 18.758 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 10.036 -19.477 18.802 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 11.223 -19.452 17.807 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 6.811 -24.593 23.784 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 6.075 -25.152 24.126 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 6.368 -23.903 23.271 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 6.344 -15.428 35.194 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.957 -15.860 35.994 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 7.049 -14.874 35.546 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 10.463 -14.098 12.618 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.031 -14.795 12.996 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 11.068 -13.578 12.051 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.361 -21.028 30.473 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.061 -20.603 31.310 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 8.643 -21.931 30.754 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 9.609 -16.900 14.366 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.463 -16.795 13.895 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.590 -16.148 14.997 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 10.722 -19.809 13.388 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 11.165 -19.405 12.614 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 10.324 -20.630 13.032 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 12.371 -22.734 26.951 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 11.797 -22.281 27.597 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 12.969 -22.028 26.626 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 10.775 -24.251 28.975 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 10.485 -23.317 28.930 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 11.438 -24.323 28.268 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 9.104 -23.497 31.299 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 9.743 -24.023 30.785 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 9.276 -23.750 32.230 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 6.872 -9.972 18.700 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 6.665 -9.849 19.662 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 7.808 -10.208 18.688 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 6.291 -9.664 21.308 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 5.467 -9.832 21.792 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 6.822 -9.133 21.927 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 7.077 -17.167 25.329 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 7.082 -18.033 24.891 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 7.940 -17.133 25.792 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 6.165 -21.809 28.695 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 7.048 -21.530 28.995 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 5.959 -21.197 27.950 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 8.691 -24.385 25.746 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.114 -25.273 25.793 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 8.098 -24.442 24.966 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 7.946 -19.896 25.001 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 8.765 -19.747 25.508 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 8.256 -20.292 24.161 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 6.664 -10.877 24.779 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.519 -11.354 24.781 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.161 -11.295 25.509 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 9.751 -10.529 23.882 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 9.544 -11.347 24.382 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 9.901 -9.869 24.564 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 9.532 -25.280 20.654 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 9.249 -24.856 19.813 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 10.291 -25.845 20.391 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 9.727 -26.986 17.408 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 9.256 -26.155 17.592 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 9.017 -27.667 17.381 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.347 -24.145 18.195 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.127 -23.214 18.068 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 10.328 -24.164 18.173 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 8.492 -26.663 32.392 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.176 -26.817 31.702 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 7.776 -27.306 32.165 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 6.913 -16.308 18.444 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 6.288 -17.008 18.733 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 7.730 -16.499 18.950 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 7.359 -27.763 37.567 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 8.044 -28.226 38.054 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 7.683 -27.757 36.643 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 7.224 -20.027 32.748 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 7.053 -20.343 33.662 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 7.311 -19.058 32.844 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 5.639 -26.881 34.740 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 5.932 -25.957 34.586 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 6.460 -27.408 34.660 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 6.603 -24.663 31.682 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 7.351 -24.087 31.433 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 7.018 -25.528 31.852 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 8.244 -27.882 34.893 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 8.405 -27.296 34.129 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 8.795 -28.674 34.697 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 4.500 -9.630 11.258 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 5.169 -10.012 11.873 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 3.835 -10.326 11.177 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 9.921 -9.623 13.569 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 10.023 -9.972 12.663 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 10.782 -9.801 13.992 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 9.441 -12.010 15.551 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 9.128 -12.252 14.656 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 8.893 -11.237 15.789 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 7.010 -8.319 23.767 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 7.092 -9.259 24.028 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 6.906 -7.850 24.615 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 5.119 -3.009 19.101 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 5.957 -2.630 19.376 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 5.257 -3.980 19.182 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 6.114 -5.370 25.489 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 6.717 -4.746 25.902 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 6.266 -6.212 25.975 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 12.953 -11.173 17.722 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 12.571 -10.969 16.837 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 13.380 -10.352 17.988 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 11.880 -10.883 15.208 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 11.019 -11.315 15.398 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 12.404 -11.587 14.754 1.00 0.00 WAT1 END