REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1178.79, 62.1505, 74.8211, 33.6052, 398.805, -374.366, -1376.68, 2.58468, 0.287412 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.698809E-03,0.443104,1.13716,42.7491,4.613226E-03,0.220533 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 24, 13 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.828 -1.273 3.407 1.00 3.14 ATOM 2 CB MET 1 3.265 0.052 4.295 1.00 72.31 ATOM 3 HB1 MET 1 4.046 -0.694 4.288 1.00 38.29 ATOM 4 HB2 MET 1 2.771 0.030 5.256 1.00 53.21 ATOM 5 CG MET 1 3.916 1.421 4.122 1.00 43.11 ATOM 6 HG1 MET 1 3.141 2.161 3.969 1.00 38.29 ATOM 7 HG2 MET 1 4.559 1.394 3.255 1.00 25.30 ATOM 8 SD MET 1 4.904 1.912 5.549 1.00 5.30 ATOM 9 CE MET 1 3.638 2.029 6.814 1.00 31.12 ATOM 10 HE1 MET 1 3.179 1.062 6.954 1.00 5.45 ATOM 11 HE2 MET 1 2.887 2.743 6.506 1.00 10.34 ATOM 12 HE3 MET 1 4.085 2.356 7.741 1.00 10.31 ATOM 13 C MET 1 1.104 0.732 3.229 1.00 63.41 ATOM 14 O MET 1 1.011 1.592 2.355 1.00 52.22 ATOM 15 N MET 1 2.905 -0.346 1.863 1.00 23.32 ATOM 16 HT1 MET 1 2.208 -0.582 1.125 1.00 38.29 ATOM 17 HT2 MET 1 3.651 -1.070 1.856 1.00 38.29 ATOM 18 HT3 MET 1 3.333 0.575 1.631 1.00 38.29 ATOM 19 CA MET 1 2.244 -0.296 3.202 1.00 74.51 ATOM 20 N GLY 2 0.243 0.643 4.244 1.00 25.42 ATOM 21 HN GLY 2 0.341 -0.085 4.900 1.00 38.29 ATOM 22 CA GLY 2 -0.846 1.606 4.390 1.00 51.54 ATOM 23 HA1 GLY 2 -1.165 1.925 3.408 1.00 38.29 ATOM 24 HA2 GLY 2 -0.475 2.466 4.929 1.00 10.41 ATOM 25 C GLY 2 -2.052 1.046 5.136 1.00 33.33 ATOM 26 O GLY 2 -2.214 -0.169 5.248 1.00 13.21 ATOM 27 N HIS 3 -2.915 1.933 5.627 1.00 22.20 ATOM 28 HN HIS 3 -2.733 2.890 5.500 1.00 38.29 ATOM 29 CA HIS 3 -4.127 1.527 6.350 1.00 41.41 ATOM 30 HA HIS 3 -3.864 0.700 6.996 1.00 64.11 ATOM 31 CB HIS 3 -4.634 2.691 7.217 1.00 54.51 ATOM 32 HB1 HIS 3 -5.575 2.411 7.672 1.00 38.29 ATOM 33 HB2 HIS 3 -4.787 3.558 6.592 1.00 42.53 ATOM 34 CG HIS 3 -3.692 3.081 8.316 1.00 73.24 ATOM 35 ND1 HIS 3 -2.970 4.257 8.316 1.00 52.34 ATOM 36 HD1 HIS 3 -2.989 4.943 7.614 1.00 12.03 ATOM 37 CD2 HIS 3 -3.369 2.449 9.470 1.00 45.11 ATOM 38 HD2 HIS 3 -3.749 1.495 9.807 1.00 34.00 ATOM 39 CE1 HIS 3 -2.248 4.330 9.415 1.00 74.31 ATOM 40 HE1 HIS 3 -1.583 5.137 9.682 1.00 22.23 ATOM 41 NE2 HIS 3 -2.473 3.249 10.130 1.00 64.14 ATOM 42 HE2 HIS 3 -2.018 3.020 10.970 1.00 38.29 ATOM 43 C HIS 3 -5.230 1.058 5.383 1.00 64.52 ATOM 44 O HIS 3 -6.373 1.515 5.450 1.00 34.22 ATOM 45 N HIS 4 -4.876 0.140 4.485 1.00 42.00 ATOM 46 HN HIS 4 -3.951 -0.184 4.479 1.00 38.29 ATOM 47 CA HIS 4 -5.829 -0.419 3.525 1.00 42.32 ATOM 48 HA HIS 4 -6.770 -0.547 4.046 1.00 3.33 ATOM 49 CB HIS 4 -6.055 0.547 2.344 1.00 22.13 ATOM 50 HB1 HIS 4 -6.542 1.438 2.711 1.00 38.29 ATOM 51 HB2 HIS 4 -6.699 0.071 1.618 1.00 24.24 ATOM 52 CG HIS 4 -4.798 0.969 1.632 1.00 21.21 ATOM 53 ND1 HIS 4 -4.296 0.311 0.530 1.00 24.22 ATOM 54 HD1 HIS 4 -4.685 -0.491 0.114 1.00 74.14 ATOM 55 CD2 HIS 4 -3.950 2.002 1.863 1.00 21.51 ATOM 56 HD2 HIS 4 -4.031 2.735 2.656 1.00 64.01 ATOM 57 CE1 HIS 4 -3.199 0.913 0.118 1.00 25.53 ATOM 58 HE1 HIS 4 -2.595 0.615 -0.727 1.00 5.54 ATOM 59 NE2 HIS 4 -2.966 1.942 0.906 1.00 33.22 ATOM 60 HE2 HIS 4 -2.319 2.656 0.718 1.00 38.29 ATOM 61 C HIS 4 -5.372 -1.800 3.029 1.00 3.41 ATOM 62 O HIS 4 -4.768 -1.930 1.965 1.00 2.52 ATOM 63 N HIS 5 -5.628 -2.829 3.832 1.00 63.42 ATOM 64 HN HIS 5 -6.030 -2.659 4.712 1.00 38.29 ATOM 65 CA HIS 5 -5.340 -4.209 3.436 1.00 2.35 ATOM 66 HA HIS 5 -4.549 -4.187 2.696 1.00 20.01 ATOM 67 CB HIS 5 -4.873 -5.031 4.645 1.00 20.05 ATOM 68 HB1 HIS 5 -4.738 -6.062 4.342 1.00 38.29 ATOM 69 HB2 HIS 5 -5.626 -4.985 5.417 1.00 61.20 ATOM 70 CG HIS 5 -3.582 -4.551 5.237 1.00 72.43 ATOM 71 ND1 HIS 5 -2.370 -5.170 5.012 1.00 5.30 ATOM 72 HD1 HIS 5 -2.221 -5.960 4.443 1.00 53.24 ATOM 73 CD2 HIS 5 -3.317 -3.508 6.060 1.00 22.40 ATOM 74 HD2 HIS 5 -4.034 -2.796 6.444 1.00 21.31 ATOM 75 CE1 HIS 5 -1.423 -4.533 5.670 1.00 24.34 ATOM 76 HE1 HIS 5 -0.375 -4.792 5.678 1.00 53.23 ATOM 77 NE2 HIS 5 -1.969 -3.523 6.311 1.00 30.43 ATOM 78 HE2 HIS 5 -1.513 -2.976 6.985 1.00 38.29 ATOM 79 C HIS 5 -6.587 -4.844 2.810 1.00 44.44 ATOM 80 O HIS 5 -7.716 -4.524 3.190 1.00 35.30 ATOM 81 N HIS 6 -6.386 -5.740 1.851 1.00 35.13 ATOM 82 HN HIS 6 -5.468 -6.003 1.628 1.00 38.29 ATOM 83 CA HIS 6 -7.505 -6.356 1.135 1.00 12.31 ATOM 84 HA HIS 6 -8.415 -5.899 1.504 1.00 72.45 ATOM 85 CB HIS 6 -7.403 -6.069 -0.370 1.00 61.52 ATOM 86 HB1 HIS 6 -7.520 -5.007 -0.532 1.00 38.29 ATOM 87 HB2 HIS 6 -8.198 -6.590 -0.884 1.00 24.30 ATOM 88 CG HIS 6 -6.108 -6.487 -0.995 1.00 3.22 ATOM 89 ND1 HIS 6 -4.993 -5.679 -1.020 1.00 23.22 ATOM 90 HD1 HIS 6 -4.926 -4.781 -0.632 1.00 3.44 ATOM 91 CD2 HIS 6 -5.761 -7.621 -1.645 1.00 3.51 ATOM 92 HD2 HIS 6 -6.393 -8.482 -1.810 1.00 21.25 ATOM 93 CE1 HIS 6 -4.020 -6.297 -1.657 1.00 25.41 ATOM 94 HE1 HIS 6 -3.028 -5.905 -1.825 1.00 53.51 ATOM 95 NE2 HIS 6 -4.456 -7.477 -2.050 1.00 12.21 ATOM 96 HE2 HIS 6 -4.032 -8.015 -2.751 1.00 38.29 ATOM 97 C HIS 6 -7.600 -7.867 1.397 1.00 34.22 ATOM 98 O HIS 6 -6.604 -8.529 1.692 1.00 21.32 ATOM 99 N HIS 7 -8.820 -8.389 1.279 1.00 31.31 ATOM 100 HN HIS 7 -9.554 -7.796 1.015 1.00 38.29 ATOM 101 CA HIS 7 -9.120 -9.805 1.534 1.00 23.22 ATOM 102 HA HIS 7 -8.982 -9.986 2.590 1.00 54.35 ATOM 103 CB HIS 7 -10.586 -10.084 1.177 1.00 20.43 ATOM 104 HB1 HIS 7 -11.224 -9.521 1.843 1.00 38.29 ATOM 105 HB2 HIS 7 -10.789 -11.138 1.300 1.00 32.21 ATOM 106 CG HIS 7 -10.939 -9.704 -0.236 1.00 60.33 ATOM 107 ND1 HIS 7 -11.550 -8.513 -0.562 1.00 13.23 ATOM 108 HD1 HIS 7 -11.843 -7.826 0.075 1.00 13.01 ATOM 109 CD2 HIS 7 -10.744 -10.354 -1.412 1.00 54.21 ATOM 110 HD2 HIS 7 -10.288 -11.326 -1.541 1.00 32.14 ATOM 111 CE1 HIS 7 -11.714 -8.444 -1.868 1.00 70.21 ATOM 112 HE1 HIS 7 -12.160 -7.620 -2.404 1.00 70.12 ATOM 113 NE2 HIS 7 -11.233 -9.545 -2.409 1.00 41.42 ATOM 114 HE2 HIS 7 -11.064 -9.668 -3.370 1.00 38.29 ATOM 115 C HIS 7 -8.213 -10.767 0.744 1.00 11.15 ATOM 116 O HIS 7 -7.820 -10.486 -0.388 1.00 52.34 ATOM 117 N HIS 8 -7.896 -11.902 1.359 1.00 12.35 ATOM 118 HN HIS 8 -8.144 -12.011 2.302 1.00 38.29 ATOM 119 CA HIS 8 -7.189 -12.996 0.684 1.00 10.40 ATOM 120 HA HIS 8 -6.826 -12.624 -0.264 1.00 61.51 ATOM 121 CB HIS 8 -5.994 -13.472 1.528 1.00 41.34 ATOM 122 HB1 HIS 8 -5.611 -14.393 1.112 1.00 38.29 ATOM 123 HB2 HIS 8 -6.323 -13.655 2.541 1.00 11.43 ATOM 124 CG HIS 8 -4.863 -12.490 1.582 1.00 33.24 ATOM 125 ND1 HIS 8 -3.748 -12.598 0.785 1.00 13.03 ATOM 126 HD1 HIS 8 -3.589 -13.300 0.116 1.00 71.25 ATOM 127 CD2 HIS 8 -4.669 -11.384 2.345 1.00 42.41 ATOM 128 HD2 HIS 8 -5.347 -10.990 3.090 1.00 74.02 ATOM 129 CE1 HIS 8 -2.918 -11.612 1.049 1.00 15.02 ATOM 130 HE1 HIS 8 -1.961 -11.447 0.576 1.00 45.44 ATOM 131 NE2 HIS 8 -3.450 -10.860 1.990 1.00 11.41 ATOM 132 HE2 HIS 8 -2.972 -10.154 2.476 1.00 38.29 ATOM 133 C HIS 8 -8.151 -14.166 0.417 1.00 62.23 ATOM 134 O HIS 8 -8.597 -14.841 1.346 1.00 42.44 ATOM 135 N SER 9 -8.484 -14.383 -0.853 1.00 64.23 ATOM 136 HN SER 9 -8.081 -13.825 -1.553 1.00 38.29 ATOM 137 CA SER 9 -9.413 -15.454 -1.237 1.00 70.32 ATOM 138 HA SER 9 -10.237 -15.447 -0.536 1.00 4.23 ATOM 139 CB SER 9 -9.962 -15.219 -2.649 1.00 71.35 ATOM 140 HB1 SER 9 -9.148 -15.223 -3.358 1.00 38.29 ATOM 141 HB2 SER 9 -10.465 -14.266 -2.684 1.00 41.45 ATOM 142 OG SER 9 -10.887 -16.233 -3.007 1.00 72.41 ATOM 143 HG SER 9 -11.612 -15.843 -3.511 1.00 5.22 ATOM 144 C SER 9 -8.722 -16.818 -1.172 1.00 3.11 ATOM 145 O SER 9 -7.833 -17.110 -1.975 1.00 52.51 ATOM 146 N HIS 10 -9.135 -17.649 -0.213 1.00 13.53 ATOM 147 HN HIS 10 -9.889 -17.380 0.353 1.00 38.29 ATOM 148 CA HIS 10 -8.492 -18.945 0.027 1.00 3.51 ATOM 149 HA HIS 10 -8.923 -19.359 0.929 1.00 44.12 ATOM 150 CB HIS 10 -8.762 -19.909 -1.139 1.00 63.12 ATOM 151 HB1 HIS 10 -8.277 -20.854 -0.936 1.00 38.29 ATOM 152 HB2 HIS 10 -8.354 -19.490 -2.047 1.00 73.53 ATOM 153 CG HIS 10 -10.221 -20.174 -1.365 1.00 74.43 ATOM 154 ND1 HIS 10 -10.796 -21.414 -1.198 1.00 42.20 ATOM 155 HD1 HIS 10 -10.323 -22.238 -0.956 1.00 75.44 ATOM 156 CD2 HIS 10 -11.229 -19.344 -1.733 1.00 44.51 ATOM 157 HD2 HIS 10 -11.145 -18.287 -1.950 1.00 11.40 ATOM 158 CE1 HIS 10 -12.087 -21.336 -1.448 1.00 15.42 ATOM 159 HE1 HIS 10 -12.790 -22.154 -1.392 1.00 54.34 ATOM 160 NE2 HIS 10 -12.375 -20.095 -1.774 1.00 44.02 ATOM 161 HE2 HIS 10 -13.283 -19.738 -1.876 1.00 38.29 ATOM 162 C HIS 10 -6.982 -18.768 0.246 1.00 45.43 ATOM 163 O HIS 10 -6.174 -19.136 -0.608 1.00 33.42 ATOM 164 N PRO 11 -6.587 -18.180 1.395 1.00 30.44 ATOM 165 CA PRO 11 -5.180 -17.855 1.682 1.00 2.13 ATOM 166 HA PRO 11 -4.813 -17.103 0.998 1.00 23.11 ATOM 167 CB PRO 11 -5.217 -17.272 3.110 1.00 2.11 ATOM 168 HB1 PRO 11 -5.142 -16.194 3.065 1.00 38.29 ATOM 169 HB2 PRO 11 -4.392 -17.667 3.687 1.00 54.14 ATOM 170 CG PRO 11 -6.530 -17.700 3.675 1.00 53.12 ATOM 171 HG1 PRO 11 -6.879 -16.968 4.390 1.00 38.29 ATOM 172 HG2 PRO 11 -6.431 -18.668 4.149 1.00 54.04 ATOM 173 CD PRO 11 -7.473 -17.786 2.506 1.00 62.23 ATOM 174 HD1 PRO 11 -7.925 -16.824 2.311 1.00 38.29 ATOM 175 HD2 PRO 11 -8.233 -18.535 2.684 1.00 15.25 ATOM 176 C PRO 11 -4.255 -19.079 1.621 1.00 35.44 ATOM 177 O PRO 11 -4.495 -20.092 2.286 1.00 13.25 ATOM 178 N ASN 12 -3.198 -18.977 0.820 1.00 23.02 ATOM 179 HN ASN 12 -3.089 -18.162 0.283 1.00 38.29 ATOM 180 CA ASN 12 -2.205 -20.049 0.687 1.00 24.44 ATOM 181 HA ASN 12 -2.722 -20.937 0.350 1.00 74.45 ATOM 182 CB ASN 12 -1.160 -19.655 -0.367 1.00 53.32 ATOM 183 HB1 ASN 12 -0.463 -20.470 -0.497 1.00 38.29 ATOM 184 HB2 ASN 12 -0.625 -18.779 -0.027 1.00 2.14 ATOM 185 CG ASN 12 -1.792 -19.342 -1.717 1.00 60.41 ATOM 186 OD1 ASN 12 -2.913 -18.851 -1.795 1.00 23.11 ATOM 187 ND2 ASN 12 -1.072 -19.603 -2.788 1.00 50.15 ATOM 188 HD21 ASN 12 -0.174 -19.973 -2.665 1.00 64.23 ATOM 189 HD22 ASN 12 -1.471 -19.423 -3.665 1.00 45.54 ATOM 190 C ASN 12 -1.528 -20.355 2.038 1.00 54.23 ATOM 191 O ASN 12 -1.775 -19.669 3.033 1.00 22.30 ATOM 192 N GLU 13 -0.671 -21.376 2.072 1.00 11.14 ATOM 193 HN GLU 13 -0.443 -21.838 1.238 1.00 38.29 ATOM 194 CA GLU 13 -0.049 -21.822 3.329 1.00 20.01 ATOM 195 HA GLU 13 -0.841 -22.179 3.971 1.00 74.40 ATOM 196 CB GLU 13 0.920 -22.980 3.059 1.00 64.21 ATOM 197 HB1 GLU 13 1.697 -22.637 2.390 1.00 38.29 ATOM 198 HB2 GLU 13 0.378 -23.784 2.581 1.00 30.31 ATOM 199 CG GLU 13 1.582 -23.535 4.317 1.00 21.44 ATOM 200 HG1 GLU 13 0.807 -23.843 5.007 1.00 38.29 ATOM 201 HG2 GLU 13 2.174 -22.753 4.772 1.00 21.22 ATOM 202 CD GLU 13 2.484 -24.722 4.028 1.00 22.33 ATOM 203 OE1 GLU 13 2.129 -25.857 4.400 1.00 2.13 ATOM 204 OE2 GLU 13 3.553 -24.531 3.416 1.00 31.13 ATOM 205 C GLU 13 0.679 -20.673 4.051 1.00 73.41 ATOM 206 O GLU 13 0.342 -20.334 5.185 1.00 20.40 ATOM 207 N GLU 14 1.655 -20.063 3.380 1.00 31.45 ATOM 208 HN GLU 14 1.890 -20.386 2.485 1.00 38.29 ATOM 209 CA GLU 14 2.397 -18.927 3.947 1.00 61.42 ATOM 210 HA GLU 14 2.838 -19.259 4.877 1.00 21.31 ATOM 211 CB GLU 14 3.523 -18.492 2.996 1.00 30.41 ATOM 212 HB1 GLU 14 3.916 -17.542 3.334 1.00 38.29 ATOM 213 HB2 GLU 14 3.110 -18.364 2.006 1.00 22.11 ATOM 214 CG GLU 14 4.680 -19.478 2.901 1.00 15.31 ATOM 215 HG1 GLU 14 5.364 -19.135 2.138 1.00 38.29 ATOM 216 HG2 GLU 14 4.287 -20.445 2.618 1.00 12.12 ATOM 217 CD GLU 14 5.447 -19.624 4.210 1.00 62.41 ATOM 218 OE1 GLU 14 5.913 -18.594 4.751 1.00 45.51 ATOM 219 OE2 GLU 14 5.614 -20.766 4.689 1.00 24.13 ATOM 220 C GLU 14 1.479 -17.729 4.240 1.00 64.51 ATOM 221 O GLU 14 1.757 -16.927 5.133 1.00 70.50 ATOM 222 N ALA 15 0.391 -17.605 3.481 1.00 0.10 ATOM 223 HN ALA 15 0.219 -18.273 2.786 1.00 38.29 ATOM 224 CA ALA 15 -0.553 -16.496 3.659 1.00 54.32 ATOM 225 HA ALA 15 0.019 -15.579 3.706 1.00 24.15 ATOM 226 CB ALA 15 -1.488 -16.406 2.458 1.00 25.40 ATOM 227 HB1 ALA 15 -2.083 -17.306 2.394 1.00 75.54 ATOM 228 HB2 ALA 15 -0.905 -16.296 1.555 1.00 23.10 ATOM 229 HB3 ALA 15 -2.140 -15.551 2.570 1.00 32.24 ATOM 230 C ALA 15 -1.360 -16.642 4.959 1.00 4.12 ATOM 231 O ALA 15 -1.440 -15.709 5.761 1.00 53.44 ATOM 232 N ARG 16 -1.950 -17.818 5.170 1.00 72.33 ATOM 233 HN ARG 16 -1.873 -18.516 4.487 1.00 38.29 ATOM 234 CA ARG 16 -2.715 -18.093 6.392 1.00 73.04 ATOM 235 HA ARG 16 -3.378 -17.254 6.560 1.00 62.03 ATOM 236 CB ARG 16 -3.561 -19.368 6.223 1.00 51.33 ATOM 237 HB1 ARG 16 -4.125 -19.290 5.303 1.00 38.29 ATOM 238 HB2 ARG 16 -4.253 -19.438 7.051 1.00 70.22 ATOM 239 CG ARG 16 -2.741 -20.657 6.175 1.00 35.25 ATOM 240 HG1 ARG 16 -2.304 -20.827 7.149 1.00 38.29 ATOM 241 HG2 ARG 16 -1.952 -20.540 5.446 1.00 43.22 ATOM 242 CD ARG 16 -3.584 -21.870 5.794 1.00 61.34 ATOM 243 HD1 ARG 16 -4.475 -21.883 6.407 1.00 38.29 ATOM 244 HD2 ARG 16 -3.008 -22.767 5.982 1.00 62.43 ATOM 245 NE ARG 16 -3.978 -21.843 4.386 1.00 73.11 ATOM 246 HE ARG 16 -4.105 -20.970 3.967 1.00 64.44 ATOM 247 CZ ARG 16 -4.153 -22.912 3.655 1.00 1.35 ATOM 248 NH1 ARG 16 -4.021 -24.092 4.170 1.00 14.50 ATOM 249 HH11 ARG 16 -3.788 -24.195 5.134 1.00 21.44 ATOM 250 HH12 ARG 16 -4.153 -24.901 3.601 1.00 22.31 ATOM 251 NH2 ARG 16 -4.473 -22.789 2.406 1.00 14.23 ATOM 252 HH21 ARG 16 -4.585 -21.879 2.011 1.00 45.20 ATOM 253 HH22 ARG 16 -4.601 -23.603 1.839 1.00 64.32 ATOM 254 C ARG 16 -1.778 -18.222 7.605 1.00 22.43 ATOM 255 O ARG 16 -2.125 -17.832 8.719 1.00 51.11 ATOM 256 N LEU 17 -0.580 -18.760 7.369 1.00 31.23 ATOM 257 HN LEU 17 -0.375 -19.085 6.467 1.00 38.29 ATOM 258 CA LEU 17 0.439 -18.885 8.415 1.00 4.14 ATOM 259 HA LEU 17 0.007 -19.446 9.234 1.00 44.11 ATOM 260 CB LEU 17 1.657 -19.650 7.872 1.00 71.35 ATOM 261 HB1 LEU 17 2.050 -19.098 7.028 1.00 38.29 ATOM 262 HB2 LEU 17 1.318 -20.614 7.517 1.00 42.15 ATOM 263 CG LEU 17 2.802 -19.881 8.871 1.00 64.52 ATOM 264 HG LEU 17 3.153 -18.924 9.226 1.00 74.20 ATOM 265 CD1 LEU 17 2.319 -20.675 10.080 1.00 32.54 ATOM 266 HD11 LEU 17 1.920 -21.625 9.754 1.00 63.20 ATOM 267 HD12 LEU 17 1.548 -20.119 10.593 1.00 63.13 ATOM 268 HD13 LEU 17 3.147 -20.845 10.755 1.00 34.14 ATOM 269 CD2 LEU 17 3.973 -20.586 8.192 1.00 2.53 ATOM 270 HD21 LEU 17 4.351 -19.969 7.389 1.00 34.33 ATOM 271 HD22 LEU 17 3.644 -21.535 7.794 1.00 30.44 ATOM 272 HD23 LEU 17 4.760 -20.754 8.915 1.00 44.40 ATOM 273 C LEU 17 0.867 -17.501 8.929 1.00 21.44 ATOM 274 O LEU 17 1.059 -17.303 10.131 1.00 60.12 ATOM 275 N ASP 18 1.013 -16.548 8.007 1.00 62.31 ATOM 276 HN ASP 18 0.916 -16.786 7.060 1.00 38.29 ATOM 277 CA ASP 18 1.326 -15.158 8.359 1.00 61.11 ATOM 278 HA ASP 18 2.292 -15.147 8.849 1.00 4.34 ATOM 279 CB ASP 18 1.400 -14.315 7.077 1.00 54.41 ATOM 280 HB1 ASP 18 0.409 -14.230 6.652 1.00 38.29 ATOM 281 HB2 ASP 18 2.043 -14.814 6.365 1.00 30.54 ATOM 282 CG ASP 18 1.945 -12.916 7.313 1.00 23.42 ATOM 283 OD1 ASP 18 3.184 -12.740 7.272 1.00 42.23 ATOM 284 OD2 ASP 18 1.142 -11.983 7.523 1.00 53.52 ATOM 285 C ASP 18 0.266 -14.592 9.325 1.00 74.41 ATOM 286 O ASP 18 0.594 -13.979 10.344 1.00 75.12 ATOM 287 N ILE 19 -1.006 -14.830 8.997 1.00 13.32 ATOM 288 HN ILE 19 -1.193 -15.295 8.155 1.00 38.29 ATOM 289 CA ILE 19 -2.134 -14.422 9.851 1.00 4.01 ATOM 290 HA ILE 19 -2.127 -13.344 9.927 1.00 63.53 ATOM 291 CB ILE 19 -3.488 -14.868 9.239 1.00 73.42 ATOM 292 HB ILE 19 -3.529 -15.949 9.270 1.00 10.12 ATOM 293 CG1 ILE 19 -3.604 -14.411 7.775 1.00 22.11 ATOM 294 HG11 ILE 19 -2.730 -14.742 7.230 1.00 38.29 ATOM 295 HG12 ILE 19 -3.655 -13.333 7.741 1.00 52.15 ATOM 296 CG2 ILE 19 -4.662 -14.333 10.063 1.00 30.15 ATOM 297 HG21 ILE 19 -4.564 -14.662 11.088 1.00 54.22 ATOM 298 HG22 ILE 19 -5.591 -14.707 9.656 1.00 71.24 ATOM 299 HG23 ILE 19 -4.666 -13.253 10.031 1.00 73.44 ATOM 300 CD1 ILE 19 -4.827 -14.957 7.065 1.00 22.03 ATOM 301 HD11 ILE 19 -4.813 -14.642 6.032 1.00 20.21 ATOM 302 HD12 ILE 19 -5.719 -14.583 7.544 1.00 5.54 ATOM 303 HD13 ILE 19 -4.818 -16.039 7.111 1.00 41.31 ATOM 304 C ILE 19 -2.010 -15.033 11.258 1.00 54.23 ATOM 305 O ILE 19 -2.127 -14.336 12.272 1.00 74.02 ATOM 306 N LEU 20 -1.779 -16.345 11.303 1.00 63.54 ATOM 307 HN LEU 20 -1.737 -16.846 10.459 1.00 38.29 ATOM 308 CA LEU 20 -1.591 -17.073 12.563 1.00 4.43 ATOM 309 HA LEU 20 -2.518 -17.020 13.114 1.00 13.42 ATOM 310 CB LEU 20 -1.276 -18.547 12.266 1.00 22.35 ATOM 311 HB1 LEU 20 -0.987 -19.029 13.190 1.00 38.29 ATOM 312 HB2 LEU 20 -0.435 -18.581 11.585 1.00 33.04 ATOM 313 CG LEU 20 -2.438 -19.345 11.646 1.00 31.22 ATOM 314 HG LEU 20 -2.888 -18.757 10.859 1.00 64.50 ATOM 315 CD1 LEU 20 -1.941 -20.646 11.026 1.00 13.43 ATOM 316 HD11 LEU 20 -2.775 -21.175 10.586 1.00 12.34 ATOM 317 HD12 LEU 20 -1.486 -21.262 11.788 1.00 72.12 ATOM 318 HD13 LEU 20 -1.214 -20.424 10.259 1.00 50.31 ATOM 319 CD2 LEU 20 -3.515 -19.628 12.694 1.00 51.11 ATOM 320 HD21 LEU 20 -4.328 -20.171 12.236 1.00 34.33 ATOM 321 HD22 LEU 20 -3.886 -18.695 13.092 1.00 33.13 ATOM 322 HD23 LEU 20 -3.094 -20.218 13.497 1.00 34.53 ATOM 323 C LEU 20 -0.474 -16.451 13.416 1.00 54.24 ATOM 324 O LEU 20 -0.651 -16.233 14.613 1.00 31.01 ATOM 325 N LYS 21 0.665 -16.156 12.788 1.00 43.43 ATOM 326 HN LYS 21 0.748 -16.371 11.833 1.00 38.29 ATOM 327 CA LYS 21 1.801 -15.523 13.477 1.00 22.02 ATOM 328 HA LYS 21 2.125 -16.193 14.260 1.00 73.21 ATOM 329 CB LYS 21 2.964 -15.306 12.496 1.00 21.14 ATOM 330 HB1 LYS 21 3.743 -14.751 13.000 1.00 38.29 ATOM 331 HB2 LYS 21 2.606 -14.721 11.660 1.00 51.44 ATOM 332 CG LYS 21 3.576 -16.594 11.948 1.00 3.21 ATOM 333 HG1 LYS 21 2.799 -17.180 11.475 1.00 38.29 ATOM 334 HG2 LYS 21 4.003 -17.155 12.767 1.00 73.42 ATOM 335 CD LYS 21 4.672 -16.302 10.923 1.00 74.44 ATOM 336 HD1 LYS 21 5.420 -15.669 11.381 1.00 38.29 ATOM 337 HD2 LYS 21 4.235 -15.788 10.079 1.00 65.21 ATOM 338 CE LYS 21 5.345 -17.577 10.422 1.00 25.33 ATOM 339 HE1 LYS 21 6.011 -17.322 9.610 1.00 38.29 ATOM 340 HE2 LYS 21 4.585 -18.253 10.063 1.00 50.13 ATOM 341 NZ LYS 21 6.127 -18.258 11.488 1.00 51.31 ATOM 342 HZ1 LYS 21 6.927 -17.663 11.781 1.00 1.45 ATOM 343 HZ2 LYS 21 6.497 -19.164 11.137 1.00 44.43 ATOM 344 HZ3 LYS 21 5.527 -18.443 12.318 1.00 34.23 ATOM 345 C LYS 21 1.409 -14.174 14.107 1.00 64.11 ATOM 346 O LYS 21 1.921 -13.796 15.163 1.00 33.21 ATOM 347 N ILE 22 0.514 -13.446 13.441 1.00 63.14 ATOM 348 HN ILE 22 0.142 -13.804 12.605 1.00 38.29 ATOM 349 CA ILE 22 0.078 -12.119 13.904 1.00 13.24 ATOM 350 HA ILE 22 0.961 -11.577 14.218 1.00 74.55 ATOM 351 CB ILE 22 -0.596 -11.317 12.753 1.00 34.22 ATOM 352 HB ILE 22 -1.426 -11.904 12.379 1.00 22.05 ATOM 353 CG1 ILE 22 0.403 -11.080 11.607 1.00 63.42 ATOM 354 HG11 ILE 22 0.771 -12.034 11.257 1.00 38.29 ATOM 355 HG12 ILE 22 1.233 -10.495 11.976 1.00 2.32 ATOM 356 CG2 ILE 22 -1.156 -9.986 13.264 1.00 63.13 ATOM 357 HG21 ILE 22 -0.354 -9.390 13.675 1.00 33.23 ATOM 358 HG22 ILE 22 -1.892 -10.173 14.032 1.00 32.44 ATOM 359 HG23 ILE 22 -1.620 -9.450 12.447 1.00 52.42 ATOM 360 CD1 ILE 22 -0.187 -10.345 10.417 1.00 23.03 ATOM 361 HD11 ILE 22 -0.547 -9.375 10.731 1.00 73.30 ATOM 362 HD12 ILE 22 -1.007 -10.917 10.009 1.00 54.51 ATOM 363 HD13 ILE 22 0.573 -10.217 9.660 1.00 52.03 ATOM 364 C ILE 22 -0.891 -12.202 15.098 1.00 50.34 ATOM 365 O ILE 22 -0.793 -11.421 16.044 1.00 2.04 ATOM 366 N HIS 23 -1.835 -13.139 15.052 1.00 42.44 ATOM 367 HN HIS 23 -1.856 -13.759 14.291 1.00 38.29 ATOM 368 CA HIS 23 -2.843 -13.263 16.117 1.00 11.51 ATOM 369 HA HIS 23 -3.076 -12.263 16.456 1.00 41.01 ATOM 370 CB HIS 23 -4.127 -13.897 15.566 1.00 62.50 ATOM 371 HB1 HIS 23 -4.809 -14.083 16.385 1.00 38.29 ATOM 372 HB2 HIS 23 -3.881 -14.836 15.093 1.00 61.31 ATOM 373 CG HIS 23 -4.839 -13.043 14.555 1.00 23.33 ATOM 374 ND1 HIS 23 -5.945 -12.275 14.856 1.00 32.43 ATOM 375 HD1 HIS 23 -6.360 -12.184 15.742 1.00 55.24 ATOM 376 CD2 HIS 23 -4.605 -12.848 13.235 1.00 21.40 ATOM 377 HD2 HIS 23 -3.816 -13.295 12.651 1.00 34.25 ATOM 378 CE1 HIS 23 -6.353 -11.649 13.769 1.00 44.05 ATOM 379 HE1 HIS 23 -7.198 -10.981 13.705 1.00 73.43 ATOM 380 NE2 HIS 23 -5.558 -11.979 12.775 1.00 12.21 ATOM 381 HE2 HIS 23 -5.530 -11.521 11.907 1.00 38.29 ATOM 382 C HIS 23 -2.330 -14.068 17.330 1.00 11.32 ATOM 383 O HIS 23 -2.566 -13.690 18.477 1.00 42.43 ATOM 384 N SER 24 -1.623 -15.169 17.075 1.00 64.20 ATOM 385 HN SER 24 -1.400 -15.387 16.146 1.00 38.29 ATOM 386 CA SER 24 -1.163 -16.066 18.153 1.00 15.33 ATOM 387 HA SER 24 -2.029 -16.335 18.741 1.00 41.34 ATOM 388 CB SER 24 -0.549 -17.345 17.569 1.00 60.54 ATOM 389 HB1 SER 24 -1.263 -17.817 16.909 1.00 38.29 ATOM 390 HB2 SER 24 -0.300 -18.025 18.372 1.00 64.01 ATOM 391 OG SER 24 0.630 -17.059 16.835 1.00 22.51 ATOM 392 HG SER 24 0.444 -17.127 15.893 1.00 53.32 ATOM 393 C SER 24 -0.139 -15.390 19.077 1.00 25.12 ATOM 394 O SER 24 -0.039 -15.730 20.256 1.00 34.34 ATOM 395 N ARG 25 0.610 -14.423 18.542 1.00 34.24 ATOM 396 HN ARG 25 0.482 -14.191 17.600 1.00 38.29 ATOM 397 CA ARG 25 1.634 -13.709 19.322 1.00 12.42 ATOM 398 HA ARG 25 2.284 -14.455 19.759 1.00 60.25 ATOM 399 CB ARG 25 2.475 -12.809 18.397 1.00 1.24 ATOM 400 HB1 ARG 25 2.908 -13.426 17.621 1.00 38.29 ATOM 401 HB2 ARG 25 3.273 -12.367 18.973 1.00 53.21 ATOM 402 CG ARG 25 1.694 -11.681 17.726 1.00 74.02 ATOM 403 HG1 ARG 25 1.321 -11.011 18.489 1.00 38.29 ATOM 404 HG2 ARG 25 0.864 -12.104 17.180 1.00 22.31 ATOM 405 CD ARG 25 2.572 -10.891 16.759 1.00 22.41 ATOM 406 HD1 ARG 25 2.992 -11.575 16.034 1.00 38.29 ATOM 407 HD2 ARG 25 3.372 -10.427 17.317 1.00 70.50 ATOM 408 NE ARG 25 1.829 -9.849 16.052 1.00 50.03 ATOM 409 HE ARG 25 1.010 -9.514 16.467 1.00 52.51 ATOM 410 CZ ARG 25 2.205 -9.330 14.915 1.00 54.44 ATOM 411 NH1 ARG 25 3.257 -9.776 14.299 1.00 63.10 ATOM 412 HH11 ARG 25 3.788 -10.522 14.696 1.00 53.35 ATOM 413 HH12 ARG 25 3.526 -9.378 13.424 1.00 54.53 ATOM 414 NH2 ARG 25 1.510 -8.380 14.384 1.00 11.35 ATOM 415 HH21 ARG 25 0.688 -8.047 14.846 1.00 14.33 ATOM 416 HH22 ARG 25 1.795 -7.980 13.519 1.00 43.43 ATOM 417 C ARG 25 1.014 -12.882 20.466 1.00 64.53 ATOM 418 O ARG 25 1.723 -12.351 21.320 1.00 24.13 ATOM 419 N LYS 26 -0.315 -12.778 20.476 1.00 31.02 ATOM 420 HN LYS 26 -0.827 -13.165 19.733 1.00 38.29 ATOM 421 CA LYS 26 -1.035 -12.090 21.554 1.00 63.24 ATOM 422 HA LYS 26 -0.395 -11.304 21.928 1.00 50.44 ATOM 423 CB LYS 26 -2.323 -11.454 21.006 1.00 65.31 ATOM 424 HB1 LYS 26 -2.899 -11.062 21.833 1.00 38.29 ATOM 425 HB2 LYS 26 -2.905 -12.219 20.508 1.00 34.33 ATOM 426 CG LYS 26 -2.078 -10.318 20.010 1.00 25.12 ATOM 427 HG1 LYS 26 -3.031 -9.980 19.624 1.00 38.29 ATOM 428 HG2 LYS 26 -1.475 -10.692 19.194 1.00 65.23 ATOM 429 CD LYS 26 -1.354 -9.133 20.656 1.00 63.22 ATOM 430 HD1 LYS 26 -1.181 -8.376 19.902 1.00 38.29 ATOM 431 HD2 LYS 26 -0.406 -9.472 21.049 1.00 13.12 ATOM 432 CE LYS 26 -2.169 -8.522 21.792 1.00 20.25 ATOM 433 HE1 LYS 26 -2.430 -9.303 22.491 1.00 38.29 ATOM 434 HE2 LYS 26 -3.071 -8.094 21.382 1.00 34.54 ATOM 435 NZ LYS 26 -1.422 -7.458 22.518 1.00 74.13 ATOM 436 HZ1 LYS 26 -0.538 -7.841 22.907 1.00 4.44 ATOM 437 HZ2 LYS 26 -1.997 -7.092 23.305 1.00 2.23 ATOM 438 HZ3 LYS 26 -1.194 -6.671 21.877 1.00 73.53 ATOM 439 C LYS 26 -1.371 -13.041 22.720 1.00 64.23 ATOM 440 O LYS 26 -1.969 -12.626 23.718 1.00 60.12 ATOM 441 N MET 27 -0.987 -14.312 22.597 1.00 73.41 ATOM 442 HN MET 27 -0.512 -14.589 21.784 1.00 38.29 ATOM 443 CA MET 27 -1.243 -15.311 23.645 1.00 0.13 ATOM 444 HA MET 27 -1.695 -14.805 24.488 1.00 75.32 ATOM 445 CB MET 27 -2.213 -16.386 23.134 1.00 41.32 ATOM 446 HB1 MET 27 -2.352 -17.128 23.909 1.00 38.29 ATOM 447 HB2 MET 27 -1.775 -16.864 22.269 1.00 52.11 ATOM 448 CG MET 27 -3.582 -15.851 22.735 1.00 64.25 ATOM 449 HG1 MET 27 -3.461 -15.163 21.910 1.00 38.29 ATOM 450 HG2 MET 27 -4.011 -15.328 23.578 1.00 20.14 ATOM 451 SD MET 27 -4.718 -17.160 22.232 1.00 70.32 ATOM 452 CE MET 27 -3.828 -17.896 20.860 1.00 42.22 ATOM 453 HE1 MET 27 -3.666 -17.150 20.095 1.00 73.23 ATOM 454 HE2 MET 27 -4.408 -18.710 20.450 1.00 31.51 ATOM 455 HE3 MET 27 -2.876 -18.270 21.205 1.00 12.32 ATOM 456 C MET 27 0.059 -15.979 24.115 1.00 51.22 ATOM 457 O MET 27 1.077 -15.941 23.422 1.00 2.23 ATOM 458 N ASN 28 0.015 -16.595 25.296 1.00 62.24 ATOM 459 HN ASN 28 -0.812 -16.558 25.821 1.00 38.29 ATOM 460 CA ASN 28 1.170 -17.325 25.832 1.00 72.30 ATOM 461 HA ASN 28 2.059 -16.744 25.626 1.00 50.22 ATOM 462 CB ASN 28 1.032 -17.509 27.349 1.00 22.40 ATOM 463 HB1 ASN 28 1.931 -17.974 27.734 1.00 38.29 ATOM 464 HB2 ASN 28 0.189 -18.152 27.553 1.00 75.54 ATOM 465 CG ASN 28 0.820 -16.201 28.085 1.00 50.43 ATOM 466 OD1 ASN 28 1.274 -15.146 27.656 1.00 14.34 ATOM 467 ND2 ASN 28 0.128 -16.261 29.204 1.00 10.50 ATOM 468 HD21 ASN 28 -0.204 -17.136 29.497 1.00 13.03 ATOM 469 HD22 ASN 28 -0.024 -15.429 29.697 1.00 34.14 ATOM 470 C ASN 28 1.302 -18.698 25.157 1.00 63.50 ATOM 471 O ASN 28 0.669 -19.665 25.574 1.00 33.14 ATOM 472 N LEU 29 2.118 -18.777 24.114 1.00 60.43 ATOM 473 HN LEU 29 2.639 -17.988 23.855 1.00 38.29 ATOM 474 CA LEU 29 2.264 -20.018 23.340 1.00 2.41 ATOM 475 HA LEU 29 1.295 -20.495 23.294 1.00 74.50 ATOM 476 CB LEU 29 2.726 -19.697 21.910 1.00 73.55 ATOM 477 HB1 LEU 29 2.810 -20.627 21.365 1.00 38.29 ATOM 478 HB2 LEU 29 3.708 -19.245 21.966 1.00 70.31 ATOM 479 CG LEU 29 1.806 -18.754 21.115 1.00 53.01 ATOM 480 HG LEU 29 1.756 -17.803 21.627 1.00 1.22 ATOM 481 CD1 LEU 29 2.365 -18.498 19.715 1.00 63.10 ATOM 482 HD11 LEU 29 3.354 -18.069 19.795 1.00 70.41 ATOM 483 HD12 LEU 29 1.719 -17.809 19.189 1.00 71.12 ATOM 484 HD13 LEU 29 2.420 -19.429 19.167 1.00 5.33 ATOM 485 CD2 LEU 29 0.388 -19.320 21.039 1.00 30.31 ATOM 486 HD21 LEU 29 0.405 -20.280 20.544 1.00 31.33 ATOM 487 HD22 LEU 29 -0.241 -18.639 20.483 1.00 44.25 ATOM 488 HD23 LEU 29 -0.007 -19.437 22.038 1.00 41.33 ATOM 489 C LEU 29 3.258 -20.988 23.994 1.00 14.13 ATOM 490 O LEU 29 4.194 -20.572 24.678 1.00 73.51 ATOM 491 N THR 30 3.037 -22.284 23.790 1.00 74.11 ATOM 492 HN THR 30 2.211 -22.560 23.337 1.00 38.29 ATOM 493 CA THR 30 3.987 -23.312 24.238 1.00 23.13 ATOM 494 HA THR 30 4.161 -23.165 25.296 1.00 71.14 ATOM 495 CB THR 30 3.427 -24.743 24.029 1.00 71.23 ATOM 496 HB THR 30 2.557 -24.869 24.659 1.00 62.33 ATOM 497 OG1 THR 30 4.412 -25.724 24.393 1.00 32.44 ATOM 498 HG1 THR 30 4.132 -26.590 24.064 1.00 22.45 ATOM 499 CG2 THR 30 3.009 -24.969 22.582 1.00 44.33 ATOM 500 HG21 THR 30 3.870 -24.864 21.939 1.00 14.14 ATOM 501 HG22 THR 30 2.260 -24.240 22.305 1.00 33.04 ATOM 502 HG23 THR 30 2.601 -25.963 22.474 1.00 32.11 ATOM 503 C THR 30 5.323 -23.190 23.490 1.00 43.44 ATOM 504 O THR 30 5.358 -22.794 22.326 1.00 61.22 ATOM 505 N ARG 31 6.421 -23.535 24.158 1.00 5.13 ATOM 506 HN ARG 31 6.340 -23.850 25.084 1.00 38.29 ATOM 507 CA ARG 31 7.752 -23.441 23.539 1.00 23.21 ATOM 508 HA ARG 31 7.831 -22.447 23.120 1.00 31.51 ATOM 509 CB ARG 31 8.861 -23.599 24.602 1.00 11.41 ATOM 510 HB1 ARG 31 8.883 -22.700 25.202 1.00 38.29 ATOM 511 HB2 ARG 31 9.811 -23.692 24.095 1.00 43.31 ATOM 512 CG ARG 31 8.715 -24.796 25.550 1.00 42.20 ATOM 513 HG1 ARG 31 7.720 -24.782 25.974 1.00 38.29 ATOM 514 HG2 ARG 31 9.441 -24.698 26.344 1.00 71.40 ATOM 515 CD ARG 31 8.939 -26.138 24.855 1.00 10.41 ATOM 516 HD1 ARG 31 8.105 -26.330 24.193 1.00 38.29 ATOM 517 HD2 ARG 31 8.986 -26.915 25.605 1.00 31.25 ATOM 518 NE ARG 31 10.178 -26.153 24.077 1.00 72.33 ATOM 519 HE ARG 31 10.749 -25.360 24.118 1.00 33.43 ATOM 520 CZ ARG 31 10.556 -27.143 23.315 1.00 15.44 ATOM 521 NH1 ARG 31 9.866 -28.237 23.261 1.00 2.12 ATOM 522 HH11 ARG 31 9.039 -28.334 23.809 1.00 50.24 ATOM 523 HH12 ARG 31 10.161 -28.982 22.664 1.00 15.12 ATOM 524 NH2 ARG 31 11.637 -27.038 22.616 1.00 15.51 ATOM 525 HH21 ARG 31 12.178 -26.201 22.659 1.00 62.13 ATOM 526 HH22 ARG 31 11.929 -27.795 22.038 1.00 53.33 ATOM 527 C ARG 31 7.931 -24.449 22.384 1.00 0.21 ATOM 528 O ARG 31 8.850 -24.324 21.572 1.00 45.31 ATOM 529 N GLY 32 7.050 -25.445 22.322 1.00 30.32 ATOM 530 HN GLY 32 6.362 -25.512 23.018 1.00 38.29 ATOM 531 CA GLY 32 7.080 -26.428 21.240 1.00 54.14 ATOM 532 HA1 GLY 32 7.208 -27.411 21.667 1.00 38.29 ATOM 533 HA2 GLY 32 7.917 -26.218 20.587 1.00 54.43 ATOM 534 C GLY 32 5.796 -26.412 20.420 1.00 51.42 ATOM 535 O GLY 32 4.893 -27.218 20.652 1.00 31.55 ATOM 536 N ILE 33 5.703 -25.484 19.468 1.00 73.43 ATOM 537 HN ILE 33 6.472 -24.905 19.289 1.00 38.29 ATOM 538 CA ILE 33 4.481 -25.304 18.682 1.00 63.03 ATOM 539 HA ILE 33 3.866 -26.185 18.812 1.00 12.05 ATOM 540 CB ILE 33 3.684 -24.074 19.198 1.00 61.14 ATOM 541 HB ILE 33 3.574 -24.184 20.265 1.00 11.31 ATOM 542 CG1 ILE 33 2.285 -24.020 18.561 1.00 22.53 ATOM 543 HG11 ILE 33 1.753 -24.927 18.810 1.00 38.29 ATOM 544 HG12 ILE 33 2.383 -23.947 17.488 1.00 63.33 ATOM 545 CG2 ILE 33 4.451 -22.771 18.947 1.00 32.40 ATOM 546 HG21 ILE 33 3.887 -21.936 19.338 1.00 23.05 ATOM 547 HG22 ILE 33 4.600 -22.637 17.885 1.00 11.12 ATOM 548 HG23 ILE 33 5.412 -22.815 19.440 1.00 64.40 ATOM 549 CD1 ILE 33 1.443 -22.849 19.027 1.00 51.45 ATOM 550 HD11 ILE 33 1.930 -21.924 18.756 1.00 53.35 ATOM 551 HD12 ILE 33 1.323 -22.891 20.100 1.00 62.22 ATOM 552 HD13 ILE 33 0.472 -22.895 18.556 1.00 72.11 ATOM 553 C ILE 33 4.783 -25.129 17.183 1.00 44.14 ATOM 554 O ILE 33 5.747 -24.461 16.801 1.00 33.31 ATOM 555 N ASN 34 3.952 -25.735 16.335 1.00 12.34 ATOM 556 HN ASN 34 3.240 -26.302 16.696 1.00 38.29 ATOM 557 CA ASN 34 4.083 -25.590 14.882 1.00 61.34 ATOM 558 HA ASN 34 4.859 -24.859 14.692 1.00 74.22 ATOM 559 CB ASN 34 4.496 -26.920 14.243 1.00 61.31 ATOM 560 HB1 ASN 34 3.715 -27.650 14.404 1.00 38.29 ATOM 561 HB2 ASN 34 5.407 -27.267 14.710 1.00 24.42 ATOM 562 CG ASN 34 4.742 -26.794 12.749 1.00 5.13 ATOM 563 OD1 ASN 34 5.127 -25.740 12.258 1.00 23.30 ATOM 564 ND2 ASN 34 4.525 -27.862 12.012 1.00 13.21 ATOM 565 HD21 ASN 34 4.220 -28.680 12.457 1.00 32.24 ATOM 566 HD22 ASN 34 4.688 -27.795 11.048 1.00 20.24 ATOM 567 C ASN 34 2.774 -25.084 14.254 1.00 31.41 ATOM 568 O ASN 34 1.860 -25.865 13.972 1.00 63.12 ATOM 569 N LEU 35 2.695 -23.774 14.036 1.00 70.52 ATOM 570 HN LEU 35 3.456 -23.204 14.285 1.00 38.29 ATOM 571 CA LEU 35 1.506 -23.153 13.441 1.00 44.43 ATOM 572 HA LEU 35 0.652 -23.439 14.038 1.00 10.42 ATOM 573 CB LEU 35 1.642 -21.624 13.473 1.00 30.10 ATOM 574 HB1 LEU 35 0.775 -21.195 12.988 1.00 38.29 ATOM 575 HB2 LEU 35 2.520 -21.351 12.903 1.00 30.40 ATOM 576 CG LEU 35 1.764 -21.001 14.875 1.00 52.05 ATOM 577 HG LEU 35 2.627 -21.422 15.372 1.00 24.01 ATOM 578 CD1 LEU 35 1.974 -19.492 14.777 1.00 61.20 ATOM 579 HD11 LEU 35 2.872 -19.289 14.210 1.00 60.15 ATOM 580 HD12 LEU 35 2.075 -19.076 15.769 1.00 31.14 ATOM 581 HD13 LEU 35 1.126 -19.039 14.282 1.00 52.40 ATOM 582 CD2 LEU 35 0.530 -21.323 15.718 1.00 34.10 ATOM 583 HD21 LEU 35 0.418 -22.395 15.798 1.00 3.54 ATOM 584 HD22 LEU 35 -0.349 -20.905 15.249 1.00 22.54 ATOM 585 HD23 LEU 35 0.647 -20.899 16.705 1.00 21.12 ATOM 586 C LEU 35 1.279 -23.631 11.996 1.00 73.22 ATOM 587 O LEU 35 0.149 -23.640 11.505 1.00 71.41 ATOM 588 N ARG 36 2.357 -24.039 11.325 1.00 21.15 ATOM 589 HN ARG 36 3.228 -24.030 11.775 1.00 38.29 ATOM 590 CA ARG 36 2.274 -24.500 9.932 1.00 35.44 ATOM 591 HA ARG 36 1.778 -23.724 9.362 1.00 23.30 ATOM 592 CB ARG 36 3.679 -24.715 9.353 1.00 14.52 ATOM 593 HB1 ARG 36 4.141 -25.552 9.861 1.00 38.29 ATOM 594 HB2 ARG 36 4.271 -23.828 9.535 1.00 40.52 ATOM 595 CG ARG 36 3.692 -24.999 7.854 1.00 61.52 ATOM 596 HG1 ARG 36 3.178 -24.197 7.339 1.00 38.29 ATOM 597 HG2 ARG 36 3.180 -25.932 7.668 1.00 22.22 ATOM 598 CD ARG 36 5.112 -25.099 7.316 1.00 73.04 ATOM 599 HD1 ARG 36 5.594 -25.956 7.767 1.00 38.29 ATOM 600 HD2 ARG 36 5.650 -24.201 7.586 1.00 52.30 ATOM 601 NE ARG 36 5.138 -25.249 5.863 1.00 54.10 ATOM 602 HE ARG 36 4.294 -25.468 5.415 1.00 55.13 ATOM 603 CZ ARG 36 6.205 -25.100 5.129 1.00 54.02 ATOM 604 NH1 ARG 36 7.346 -24.818 5.667 1.00 44.22 ATOM 605 HH11 ARG 36 7.417 -24.711 6.657 1.00 31.10 ATOM 606 HH12 ARG 36 8.152 -24.710 5.093 1.00 74.34 ATOM 607 NH2 ARG 36 6.127 -25.225 3.848 1.00 42.45 ATOM 608 HH21 ARG 36 5.248 -25.430 3.422 1.00 5.30 ATOM 609 HH22 ARG 36 6.944 -25.120 3.287 1.00 22.22 ATOM 610 C ARG 36 1.449 -25.794 9.821 1.00 43.42 ATOM 611 O ARG 36 0.624 -25.935 8.920 1.00 30.25 ATOM 612 N LYS 37 1.663 -26.728 10.751 1.00 34.31 ATOM 613 HN LYS 37 2.355 -26.576 11.428 1.00 38.29 ATOM 614 CA LYS 37 0.895 -27.981 10.783 1.00 54.35 ATOM 615 HA LYS 37 1.072 -28.503 9.853 1.00 23.33 ATOM 616 CB LYS 37 1.380 -28.855 11.951 1.00 61.02 ATOM 617 HB1 LYS 37 1.117 -28.371 12.880 1.00 38.29 ATOM 618 HB2 LYS 37 2.456 -28.932 11.897 1.00 22.23 ATOM 619 CG LYS 37 0.809 -30.274 11.981 1.00 3.31 ATOM 620 HG1 LYS 37 1.569 -30.943 12.363 1.00 38.29 ATOM 621 HG2 LYS 37 0.552 -30.569 10.974 1.00 61.21 ATOM 622 CD LYS 37 -0.438 -30.391 12.861 1.00 50.40 ATOM 623 HD1 LYS 37 -1.271 -29.922 12.358 1.00 38.29 ATOM 624 HD2 LYS 37 -0.255 -29.892 13.802 1.00 71.31 ATOM 625 CE LYS 37 -0.777 -31.853 13.128 1.00 32.44 ATOM 626 HE1 LYS 37 0.114 -32.348 13.487 1.00 38.29 ATOM 627 HE2 LYS 37 -1.092 -32.311 12.203 1.00 22.52 ATOM 628 NZ LYS 37 -1.858 -32.017 14.138 1.00 31.44 ATOM 629 HZ1 LYS 37 -2.741 -31.597 13.794 1.00 64.11 ATOM 630 HZ2 LYS 37 -1.592 -31.551 15.030 1.00 70.32 ATOM 631 HZ3 LYS 37 -2.019 -33.027 14.331 1.00 43.04 ATOM 632 C LYS 37 -0.607 -27.687 10.910 1.00 3.51 ATOM 633 O LYS 37 -1.440 -28.330 10.275 1.00 30.53 ATOM 634 N ILE 38 -0.933 -26.702 11.739 1.00 52.10 ATOM 635 HN ILE 38 -0.227 -26.275 12.264 1.00 38.29 ATOM 636 CA ILE 38 -2.313 -26.236 11.890 1.00 72.33 ATOM 637 HA ILE 38 -2.929 -27.087 12.152 1.00 30.10 ATOM 638 CB ILE 38 -2.424 -25.179 13.020 1.00 14.30 ATOM 639 HB ILE 38 -1.895 -24.292 12.698 1.00 34.54 ATOM 640 CG1 ILE 38 -1.771 -25.703 14.313 1.00 25.13 ATOM 641 HG11 ILE 38 -1.886 -24.962 15.092 1.00 38.29 ATOM 642 HG12 ILE 38 -0.718 -25.867 14.136 1.00 35.32 ATOM 643 CG2 ILE 38 -3.884 -24.791 13.265 1.00 41.31 ATOM 644 HG21 ILE 38 -4.315 -24.402 12.353 1.00 33.21 ATOM 645 HG22 ILE 38 -3.933 -24.034 14.034 1.00 22.52 ATOM 646 HG23 ILE 38 -4.441 -25.661 13.583 1.00 0.21 ATOM 647 CD1 ILE 38 -2.358 -27.006 14.820 1.00 62.32 ATOM 648 HD11 ILE 38 -3.412 -26.876 15.020 1.00 65.12 ATOM 649 HD12 ILE 38 -1.854 -27.296 15.729 1.00 31.30 ATOM 650 HD13 ILE 38 -2.226 -27.776 14.074 1.00 20.13 ATOM 651 C ILE 38 -2.826 -25.627 10.575 1.00 3.33 ATOM 652 O ILE 38 -3.957 -25.874 10.158 1.00 73.45 ATOM 653 N ALA 39 -1.970 -24.837 9.922 1.00 62.24 ATOM 654 HN ALA 39 -1.092 -24.659 10.322 1.00 38.29 ATOM 655 CA ALA 39 -2.302 -24.212 8.637 1.00 33.14 ATOM 656 HA ALA 39 -3.175 -23.591 8.788 1.00 63.42 ATOM 657 CB ALA 39 -1.153 -23.312 8.189 1.00 11.22 ATOM 658 HB1 ALA 39 -0.283 -23.917 7.969 1.00 14.02 ATOM 659 HB2 ALA 39 -0.913 -22.612 8.976 1.00 54.42 ATOM 660 HB3 ALA 39 -1.445 -22.768 7.302 1.00 1.34 ATOM 661 C ALA 39 -2.622 -25.256 7.549 1.00 13.12 ATOM 662 O ALA 39 -3.493 -25.037 6.700 1.00 30.54 ATOM 663 N GLU 40 -1.912 -26.383 7.577 1.00 24.05 ATOM 664 HN GLU 40 -1.193 -26.473 8.239 1.00 38.29 ATOM 665 CA GLU 40 -2.158 -27.486 6.636 1.00 10.12 ATOM 666 HA GLU 40 -2.165 -27.071 5.638 1.00 44.03 ATOM 667 CB GLU 40 -1.041 -28.534 6.731 1.00 54.12 ATOM 668 HB1 GLU 40 -1.273 -29.351 6.062 1.00 38.29 ATOM 669 HB2 GLU 40 -1.001 -28.914 7.743 1.00 23.23 ATOM 670 CG GLU 40 0.339 -28.002 6.369 1.00 33.14 ATOM 671 HG1 GLU 40 0.588 -27.195 7.045 1.00 38.29 ATOM 672 HG2 GLU 40 0.308 -27.621 5.357 1.00 63.00 ATOM 673 CD GLU 40 1.419 -29.070 6.457 1.00 55.11 ATOM 674 OE1 GLU 40 1.697 -29.731 5.435 1.00 12.42 ATOM 675 OE2 GLU 40 1.987 -29.264 7.554 1.00 0.44 ATOM 676 C GLU 40 -3.515 -28.159 6.902 1.00 10.03 ATOM 677 O GLU 40 -4.119 -28.744 6.001 1.00 40.02 ATOM 678 N LEU 41 -3.983 -28.077 8.147 1.00 71.43 ATOM 679 HN LEU 41 -3.447 -27.615 8.826 1.00 38.29 ATOM 680 CA LEU 41 -5.273 -28.662 8.539 1.00 30.35 ATOM 681 HA LEU 41 -5.377 -29.606 8.022 1.00 75.10 ATOM 682 CB LEU 41 -5.297 -28.922 10.052 1.00 43.12 ATOM 683 HB1 LEU 41 -6.279 -29.288 10.318 1.00 38.29 ATOM 684 HB2 LEU 41 -5.136 -27.979 10.557 1.00 41.33 ATOM 685 CG LEU 41 -4.253 -29.930 10.567 1.00 65.44 ATOM 686 HG LEU 41 -3.266 -29.583 10.293 1.00 4.12 ATOM 687 CD1 LEU 41 -4.302 -30.032 12.091 1.00 64.41 ATOM 688 HD11 LEU 41 -3.567 -30.748 12.429 1.00 21.14 ATOM 689 HD12 LEU 41 -5.286 -30.353 12.403 1.00 24.45 ATOM 690 HD13 LEU 41 -4.086 -29.065 12.523 1.00 24.13 ATOM 691 CD2 LEU 41 -4.464 -31.303 9.927 1.00 54.41 ATOM 692 HD21 LEU 41 -4.363 -31.220 8.854 1.00 31.24 ATOM 693 HD22 LEU 41 -5.451 -31.668 10.168 1.00 35.21 ATOM 694 HD23 LEU 41 -3.723 -31.994 10.303 1.00 61.43 ATOM 695 C LEU 41 -6.453 -27.757 8.147 1.00 52.44 ATOM 696 O LEU 41 -7.614 -28.108 8.364 1.00 74.41 ATOM 697 N MET 42 -6.149 -26.592 7.572 1.00 44.25 ATOM 698 HN MET 42 -5.206 -26.364 7.437 1.00 38.29 ATOM 699 CA MET 42 -7.182 -25.640 7.141 1.00 71.23 ATOM 700 HA MET 42 -8.148 -26.060 7.387 1.00 4.43 ATOM 701 CB MET 42 -7.017 -24.308 7.890 1.00 2.42 ATOM 702 HB1 MET 42 -7.810 -23.639 7.588 1.00 38.29 ATOM 703 HB2 MET 42 -6.068 -23.868 7.617 1.00 71.13 ATOM 704 CG MET 42 -7.060 -24.442 9.406 1.00 2.33 ATOM 705 HG1 MET 42 -6.254 -25.089 9.721 1.00 38.29 ATOM 706 HG2 MET 42 -8.004 -24.884 9.690 1.00 3.13 ATOM 707 SD MET 42 -6.889 -22.854 10.250 1.00 64.34 ATOM 708 CE MET 42 -8.342 -21.993 9.657 1.00 12.44 ATOM 709 HE1 MET 42 -9.227 -22.556 9.915 1.00 71.13 ATOM 710 HE2 MET 42 -8.284 -21.886 8.584 1.00 12.32 ATOM 711 HE3 MET 42 -8.391 -21.017 10.115 1.00 63.51 ATOM 712 C MET 42 -7.130 -25.390 5.619 1.00 13.34 ATOM 713 O MET 42 -6.642 -24.350 5.167 1.00 44.35 ATOM 714 N PRO 43 -7.620 -26.343 4.800 1.00 44.25 ATOM 715 CA PRO 43 -7.648 -26.187 3.339 1.00 45.40 ATOM 716 HA PRO 43 -6.729 -25.752 2.971 1.00 74.55 ATOM 717 CB PRO 43 -7.762 -27.635 2.850 1.00 50.14 ATOM 718 HB1 PRO 43 -6.772 -28.057 2.730 1.00 38.29 ATOM 719 HB2 PRO 43 -8.285 -27.663 1.903 1.00 42.22 ATOM 720 CG PRO 43 -8.527 -28.338 3.924 1.00 11.32 ATOM 721 HG1 PRO 43 -8.236 -29.378 3.962 1.00 38.29 ATOM 722 HG2 PRO 43 -9.588 -28.256 3.730 1.00 45.21 ATOM 723 CD PRO 43 -8.179 -27.647 5.224 1.00 11.42 ATOM 724 HD1 PRO 43 -7.442 -28.220 5.770 1.00 38.29 ATOM 725 HD2 PRO 43 -9.066 -27.506 5.826 1.00 33.25 ATOM 726 C PRO 43 -8.842 -25.340 2.857 1.00 51.33 ATOM 727 O PRO 43 -9.994 -25.773 2.916 1.00 43.34 ATOM 728 N GLY 44 -8.561 -24.122 2.395 1.00 24.33 ATOM 729 HN GLY 44 -7.629 -23.818 2.385 1.00 38.29 ATOM 730 CA GLY 44 -9.617 -23.241 1.906 1.00 4.05 ATOM 731 HA1 GLY 44 -10.285 -23.813 1.276 1.00 38.29 ATOM 732 HA2 GLY 44 -9.167 -22.461 1.310 1.00 24.34 ATOM 733 C GLY 44 -10.431 -22.591 3.024 1.00 73.11 ATOM 734 O GLY 44 -11.663 -22.641 3.021 1.00 22.22 ATOM 735 N ALA 45 -9.741 -21.982 3.982 1.00 40.41 ATOM 736 HN ALA 45 -8.763 -22.010 3.954 1.00 38.29 ATOM 737 CA ALA 45 -10.396 -21.271 5.086 1.00 45.53 ATOM 738 HA ALA 45 -11.466 -21.408 4.992 1.00 1.45 ATOM 739 CB ALA 45 -9.957 -21.862 6.420 1.00 44.34 ATOM 740 HB1 ALA 45 -10.478 -21.365 7.226 1.00 34.51 ATOM 741 HB2 ALA 45 -8.893 -21.725 6.543 1.00 33.40 ATOM 742 HB3 ALA 45 -10.188 -22.918 6.441 1.00 32.50 ATOM 743 C ALA 45 -10.076 -19.768 5.030 1.00 64.54 ATOM 744 O ALA 45 -8.923 -19.382 4.843 1.00 53.02 ATOM 745 N SER 46 -11.097 -18.928 5.187 1.00 34.04 ATOM 746 HN SER 46 -11.992 -19.295 5.355 1.00 38.29 ATOM 747 CA SER 46 -10.922 -17.465 5.106 1.00 22.43 ATOM 748 HA SER 46 -10.324 -17.252 4.231 1.00 30.51 ATOM 749 CB SER 46 -12.281 -16.767 4.960 1.00 5.13 ATOM 750 HB1 SER 46 -12.838 -17.226 4.155 1.00 38.29 ATOM 751 HB2 SER 46 -12.126 -15.720 4.737 1.00 65.14 ATOM 752 OG SER 46 -13.041 -16.868 6.158 1.00 20.03 ATOM 753 HG SER 46 -13.837 -17.386 5.991 1.00 11.10 ATOM 754 C SER 46 -10.204 -16.899 6.342 1.00 40.44 ATOM 755 O SER 46 -9.984 -17.605 7.332 1.00 14.11 ATOM 756 N GLY 47 -9.864 -15.608 6.286 1.00 74.12 ATOM 757 HN GLY 47 -10.051 -15.097 5.470 1.00 38.29 ATOM 758 CA GLY 47 -9.215 -14.949 7.417 1.00 21.21 ATOM 759 HA1 GLY 47 -9.043 -13.912 7.164 1.00 38.29 ATOM 760 HA2 GLY 47 -8.262 -15.426 7.594 1.00 54.30 ATOM 761 C GLY 47 -10.042 -15.010 8.696 1.00 15.33 ATOM 762 O GLY 47 -9.494 -15.093 9.796 1.00 71.22 ATOM 763 N ALA 48 -11.366 -14.978 8.551 1.00 32.42 ATOM 764 HN ALA 48 -11.742 -14.873 7.651 1.00 38.29 ATOM 765 CA ALA 48 -12.276 -15.093 9.696 1.00 11.53 ATOM 766 HA ALA 48 -11.998 -14.334 10.414 1.00 53.14 ATOM 767 CB ALA 48 -13.712 -14.825 9.258 1.00 73.43 ATOM 768 HB1 ALA 48 -13.771 -13.848 8.801 1.00 44.42 ATOM 769 HB2 ALA 48 -14.366 -14.860 10.117 1.00 4.12 ATOM 770 HB3 ALA 48 -14.019 -15.574 8.542 1.00 72.32 ATOM 771 C ALA 48 -12.168 -16.470 10.365 1.00 41.05 ATOM 772 O ALA 48 -12.261 -16.591 11.590 1.00 23.02 ATOM 773 N GLU 49 -11.959 -17.504 9.554 1.00 31.45 ATOM 774 HN GLU 49 -11.916 -17.348 8.587 1.00 38.29 ATOM 775 CA GLU 49 -11.791 -18.869 10.061 1.00 4.24 ATOM 776 HA GLU 49 -12.587 -19.063 10.767 1.00 41.43 ATOM 777 CB GLU 49 -11.890 -19.877 8.908 1.00 22.34 ATOM 778 HB1 GLU 49 -11.843 -20.878 9.316 1.00 38.29 ATOM 779 HB2 GLU 49 -11.048 -19.731 8.246 1.00 42.13 ATOM 780 CG GLU 49 -13.170 -19.755 8.084 1.00 33.24 ATOM 781 HG1 GLU 49 -13.129 -20.473 7.278 1.00 38.29 ATOM 782 HG2 GLU 49 -13.219 -18.757 7.669 1.00 31.24 ATOM 783 CD GLU 49 -14.431 -20.004 8.898 1.00 55.23 ATOM 784 OE1 GLU 49 -14.903 -21.161 8.929 1.00 44.12 ATOM 785 OE2 GLU 49 -14.965 -19.043 9.499 1.00 42.24 ATOM 786 C GLU 49 -10.442 -19.022 10.778 1.00 64.31 ATOM 787 O GLU 49 -10.360 -19.614 11.857 1.00 32.44 ATOM 788 N VAL 50 -9.387 -18.477 10.168 1.00 54.14 ATOM 789 HN VAL 50 -9.507 -18.081 9.278 1.00 38.29 ATOM 790 CA VAL 50 -8.053 -18.459 10.781 1.00 63.04 ATOM 791 HA VAL 50 -7.758 -19.482 10.972 1.00 42.40 ATOM 792 CB VAL 50 -7.010 -17.817 9.827 1.00 33.24 ATOM 793 HB VAL 50 -7.301 -16.790 9.653 1.00 54.10 ATOM 794 CG1 VAL 50 -5.618 -17.811 10.456 1.00 40.34 ATOM 795 HG11 VAL 50 -5.323 -18.822 10.695 1.00 62.12 ATOM 796 HG12 VAL 50 -5.632 -17.217 11.359 1.00 23.42 ATOM 797 HG13 VAL 50 -4.908 -17.386 9.760 1.00 50.52 ATOM 798 CG2 VAL 50 -6.993 -18.538 8.477 1.00 11.45 ATOM 799 HG21 VAL 50 -7.979 -18.497 8.034 1.00 62.10 ATOM 800 HG22 VAL 50 -6.707 -19.569 8.620 1.00 61.33 ATOM 801 HG23 VAL 50 -6.284 -18.057 7.818 1.00 34.23 ATOM 802 C VAL 50 -8.077 -17.687 12.113 1.00 53.50 ATOM 803 O VAL 50 -7.472 -18.100 13.107 1.00 10.45 ATOM 804 N LYS 51 -8.793 -16.566 12.123 1.00 63.15 ATOM 805 HN LYS 51 -9.194 -16.254 11.283 1.00 38.29 ATOM 806 CA LYS 51 -8.995 -15.778 13.341 1.00 61.22 ATOM 807 HA LYS 51 -8.022 -15.507 13.725 1.00 43.02 ATOM 808 CB LYS 51 -9.773 -14.498 13.002 1.00 64.24 ATOM 809 HB1 LYS 51 -10.727 -14.779 12.577 1.00 38.29 ATOM 810 HB2 LYS 51 -9.215 -13.940 12.262 1.00 14.10 ATOM 811 CG LYS 51 -10.030 -13.581 14.196 1.00 33.25 ATOM 812 HG1 LYS 51 -9.083 -13.326 14.652 1.00 38.29 ATOM 813 HG2 LYS 51 -10.646 -14.105 14.914 1.00 64.42 ATOM 814 CD LYS 51 -10.743 -12.293 13.780 1.00 43.04 ATOM 815 HD1 LYS 51 -10.131 -11.774 13.055 1.00 38.29 ATOM 816 HD2 LYS 51 -10.872 -11.668 14.652 1.00 3.34 ATOM 817 CE LYS 51 -12.116 -12.563 13.165 1.00 63.31 ATOM 818 HE1 LYS 51 -12.003 -13.260 12.345 1.00 38.29 ATOM 819 HE2 LYS 51 -12.515 -11.633 12.789 1.00 75.43 ATOM 820 NZ LYS 51 -13.075 -13.129 14.151 1.00 12.11 ATOM 821 HZ1 LYS 51 -13.953 -13.414 13.673 1.00 33.22 ATOM 822 HZ2 LYS 51 -13.306 -12.422 14.877 1.00 22.35 ATOM 823 HZ3 LYS 51 -12.664 -13.964 14.617 1.00 12.24 ATOM 824 C LYS 51 -9.744 -16.595 14.408 1.00 20.12 ATOM 825 O LYS 51 -9.454 -16.493 15.604 1.00 12.21 ATOM 826 N GLY 52 -10.704 -17.409 13.961 1.00 30.32 ATOM 827 HN GLY 52 -10.917 -17.412 13.004 1.00 38.29 ATOM 828 CA GLY 52 -11.447 -18.283 14.865 1.00 62.31 ATOM 829 HA1 GLY 52 -12.181 -18.832 14.292 1.00 38.29 ATOM 830 HA2 GLY 52 -11.963 -17.674 15.595 1.00 21.44 ATOM 831 C GLY 52 -10.549 -19.275 15.594 1.00 74.35 ATOM 832 O GLY 52 -10.617 -19.404 16.816 1.00 73.45 ATOM 833 N VAL 53 -9.693 -19.966 14.842 1.00 65.44 ATOM 834 HN VAL 53 -9.708 -19.837 13.868 1.00 38.29 ATOM 835 CA VAL 53 -8.734 -20.914 15.425 1.00 41.45 ATOM 836 HA VAL 53 -9.298 -21.714 15.887 1.00 63.34 ATOM 837 CB VAL 53 -7.826 -21.530 14.330 1.00 42.33 ATOM 838 HB VAL 53 -7.304 -20.724 13.832 1.00 14.41 ATOM 839 CG1 VAL 53 -6.779 -22.467 14.938 1.00 62.14 ATOM 840 HG11 VAL 53 -6.148 -21.911 15.618 1.00 11.34 ATOM 841 HG12 VAL 53 -6.172 -22.892 14.152 1.00 31.42 ATOM 842 HG13 VAL 53 -7.274 -23.262 15.479 1.00 51.35 ATOM 843 CG2 VAL 53 -8.671 -22.260 13.286 1.00 73.14 ATOM 844 HG21 VAL 53 -9.238 -23.045 13.766 1.00 51.10 ATOM 845 HG22 VAL 53 -8.026 -22.692 12.534 1.00 32.33 ATOM 846 HG23 VAL 53 -9.350 -21.560 12.818 1.00 61.45 ATOM 847 C VAL 53 -7.860 -20.238 16.496 1.00 52.30 ATOM 848 O VAL 53 -7.657 -20.780 17.585 1.00 64.25 ATOM 849 N CYS 54 -7.363 -19.042 16.183 1.00 54.24 ATOM 850 HN CYS 54 -7.556 -18.667 15.297 1.00 38.29 ATOM 851 CA CYS 54 -6.539 -18.270 17.124 1.00 14.53 ATOM 852 HA CYS 54 -5.697 -18.884 17.408 1.00 34.44 ATOM 853 CB CYS 54 -6.019 -16.993 16.451 1.00 51.24 ATOM 854 HB1 CYS 54 -5.399 -16.450 17.151 1.00 38.29 ATOM 855 HB2 CYS 54 -6.859 -16.374 16.172 1.00 61.04 ATOM 856 SG CYS 54 -5.036 -17.282 14.959 1.00 72.12 ATOM 857 HG CYS 54 -5.745 -18.057 14.146 1.00 73.23 ATOM 858 C CYS 54 -7.331 -17.901 18.389 1.00 45.21 ATOM 859 O CYS 54 -6.843 -18.052 19.509 1.00 54.52 ATOM 860 N THR 55 -8.559 -17.425 18.193 1.00 54.23 ATOM 861 HN THR 55 -8.897 -17.354 17.275 1.00 38.29 ATOM 862 CA THR 55 -9.425 -17.003 19.306 1.00 14.02 ATOM 863 HA THR 55 -8.893 -16.250 19.872 1.00 53.12 ATOM 864 CB THR 55 -10.750 -16.377 18.789 1.00 54.03 ATOM 865 HB THR 55 -11.286 -17.127 18.223 1.00 24.33 ATOM 866 OG1 THR 55 -10.472 -15.257 17.928 1.00 73.42 ATOM 867 HG1 THR 55 -10.353 -15.575 17.024 1.00 64.31 ATOM 868 CG2 THR 55 -11.635 -15.913 19.944 1.00 1.41 ATOM 869 HG21 THR 55 -11.109 -15.169 20.525 1.00 43.11 ATOM 870 HG22 THR 55 -11.881 -16.755 20.575 1.00 73.24 ATOM 871 HG23 THR 55 -12.544 -15.481 19.550 1.00 62.01 ATOM 872 C THR 55 -9.766 -18.179 20.234 1.00 73.15 ATOM 873 O THR 55 -9.690 -18.061 21.462 1.00 2.32 ATOM 874 N GLU 56 -10.142 -19.313 19.641 1.00 1.54 ATOM 875 HN GLU 56 -10.160 -19.352 18.662 1.00 38.29 ATOM 876 CA GLU 56 -10.534 -20.503 20.405 1.00 10.12 ATOM 877 HA GLU 56 -11.254 -20.188 21.148 1.00 31.13 ATOM 878 CB GLU 56 -11.206 -21.533 19.486 1.00 41.20 ATOM 879 HB1 GLU 56 -11.383 -22.442 20.048 1.00 38.29 ATOM 880 HB2 GLU 56 -10.539 -21.756 18.665 1.00 73.31 ATOM 881 CG GLU 56 -12.537 -21.067 18.905 1.00 63.22 ATOM 882 HG1 GLU 56 -12.957 -21.867 18.312 1.00 38.29 ATOM 883 HG2 GLU 56 -12.356 -20.210 18.271 1.00 2.41 ATOM 884 CD GLU 56 -13.545 -20.676 19.977 1.00 2.12 ATOM 885 OE1 GLU 56 -13.744 -21.461 20.929 1.00 13.23 ATOM 886 OE2 GLU 56 -14.153 -19.591 19.868 1.00 2.33 ATOM 887 C GLU 56 -9.342 -21.147 21.131 1.00 23.41 ATOM 888 O GLU 56 -9.497 -21.664 22.237 1.00 34.32 ATOM 889 N ALA 57 -8.163 -21.114 20.508 1.00 61.20 ATOM 890 HN ALA 57 -8.105 -20.711 19.614 1.00 38.29 ATOM 891 CA ALA 57 -6.948 -21.675 21.119 1.00 25.42 ATOM 892 HA ALA 57 -7.069 -22.750 21.167 1.00 31.13 ATOM 893 CB ALA 57 -5.734 -21.376 20.245 1.00 64.04 ATOM 894 HB1 ALA 57 -4.856 -21.840 20.672 1.00 31.24 ATOM 895 HB2 ALA 57 -5.584 -20.308 20.188 1.00 35.34 ATOM 896 HB3 ALA 57 -5.899 -21.769 19.251 1.00 53.52 ATOM 897 C ALA 57 -6.731 -21.136 22.544 1.00 65.12 ATOM 898 O ALA 57 -6.469 -21.898 23.479 1.00 55.41 ATOM 899 N GLY 58 -6.857 -19.818 22.705 1.00 53.11 ATOM 900 HN GLY 58 -7.013 -19.252 21.919 1.00 38.29 ATOM 901 CA GLY 58 -6.756 -19.209 24.027 1.00 43.43 ATOM 902 HA1 GLY 58 -6.821 -18.136 23.920 1.00 38.29 ATOM 903 HA2 GLY 58 -5.794 -19.457 24.455 1.00 5.42 ATOM 904 C GLY 58 -7.857 -19.676 24.980 1.00 1.12 ATOM 905 O GLY 58 -7.631 -19.827 26.183 1.00 11.11 ATOM 906 N MET 59 -9.049 -19.920 24.436 1.00 73.22 ATOM 907 HN MET 59 -9.163 -19.795 23.471 1.00 38.29 ATOM 908 CA MET 59 -10.188 -20.382 25.239 1.00 13.33 ATOM 909 HA MET 59 -10.288 -19.709 26.077 1.00 4.15 ATOM 910 CB MET 59 -11.482 -20.340 24.411 1.00 10.14 ATOM 911 HB1 MET 59 -12.293 -20.699 25.028 1.00 38.29 ATOM 912 HB2 MET 59 -11.372 -20.998 23.562 1.00 54.13 ATOM 913 CG MET 59 -11.870 -18.956 23.888 1.00 75.31 ATOM 914 HG1 MET 59 -12.453 -19.080 22.986 1.00 38.29 ATOM 915 HG2 MET 59 -10.970 -18.406 23.653 1.00 4.14 ATOM 916 SD MET 59 -12.843 -17.980 25.064 1.00 52.14 ATOM 917 CE MET 59 -11.657 -17.639 26.362 1.00 4.11 ATOM 918 HE1 MET 59 -12.090 -16.952 27.076 1.00 74.43 ATOM 919 HE2 MET 59 -10.768 -17.201 25.935 1.00 43.45 ATOM 920 HE3 MET 59 -11.404 -18.563 26.861 1.00 74.44 ATOM 921 C MET 59 -9.954 -21.800 25.781 1.00 22.13 ATOM 922 O MET 59 -10.289 -22.094 26.931 1.00 63.21 ATOM 923 N TYR 60 -9.374 -22.674 24.956 1.00 20.22 ATOM 924 HN TYR 60 -9.164 -22.398 24.036 1.00 38.29 ATOM 925 CA TYR 60 -9.047 -24.041 25.386 1.00 40.04 ATOM 926 HA TYR 60 -9.968 -24.511 25.703 1.00 45.20 ATOM 927 CB TYR 60 -8.457 -24.852 24.226 1.00 45.23 ATOM 928 HB1 TYR 60 -8.048 -25.776 24.612 1.00 38.29 ATOM 929 HB2 TYR 60 -7.663 -24.279 23.769 1.00 21.02 ATOM 930 CG TYR 60 -9.465 -25.204 23.144 1.00 22.55 ATOM 931 CD1 TYR 60 -9.344 -24.702 21.853 1.00 12.50 ATOM 932 HD1 TYR 60 -8.515 -24.049 21.619 1.00 2.31 ATOM 933 CD2 TYR 60 -10.543 -26.042 23.419 1.00 31.23 ATOM 934 HD2 TYR 60 -10.657 -26.442 24.416 1.00 34.33 ATOM 935 CE1 TYR 60 -10.263 -25.024 20.873 1.00 32.25 ATOM 936 HE1 TYR 60 -10.150 -24.622 19.878 1.00 64.42 ATOM 937 CE2 TYR 60 -11.464 -26.367 22.441 1.00 21.32 ATOM 938 HE2 TYR 60 -12.292 -27.020 22.677 1.00 52.11 ATOM 939 CZ TYR 60 -11.320 -25.856 21.171 1.00 45.54 ATOM 940 OH TYR 60 -12.238 -26.177 20.195 1.00 0.41 ATOM 941 HH TYR 60 -11.779 -26.536 19.430 1.00 20.22 ATOM 942 C TYR 60 -8.075 -24.035 26.578 1.00 30.00 ATOM 943 O TYR 60 -8.137 -24.905 27.449 1.00 55.44 ATOM 944 N ALA 61 -7.188 -23.046 26.619 1.00 40.22 ATOM 945 HN ALA 61 -7.143 -22.412 25.870 1.00 38.29 ATOM 946 CA ALA 61 -6.268 -22.890 27.747 1.00 15.21 ATOM 947 HA ALA 61 -5.830 -23.858 27.954 1.00 24.12 ATOM 948 CB ALA 61 -5.141 -21.933 27.378 1.00 41.12 ATOM 949 HB1 ALA 61 -4.434 -21.873 28.193 1.00 23.51 ATOM 950 HB2 ALA 61 -5.549 -20.953 27.181 1.00 33.22 ATOM 951 HB3 ALA 61 -4.637 -22.295 26.492 1.00 54.14 ATOM 952 C ALA 61 -7.002 -22.397 29.007 1.00 20.03 ATOM 953 O ALA 61 -6.918 -23.013 30.073 1.00 44.45 ATOM 954 N LEU 62 -7.737 -21.294 28.871 1.00 2.12 ATOM 955 HN LEU 62 -7.820 -20.887 27.981 1.00 38.29 ATOM 956 CA LEU 62 -8.421 -20.663 30.010 1.00 74.13 ATOM 957 HA LEU 62 -7.667 -20.453 30.758 1.00 71.24 ATOM 958 CB LEU 62 -9.051 -19.332 29.577 1.00 13.35 ATOM 959 HB1 LEU 62 -9.560 -18.902 30.429 1.00 38.29 ATOM 960 HB2 LEU 62 -9.783 -19.540 28.808 1.00 32.15 ATOM 961 CG LEU 62 -8.061 -18.287 29.031 1.00 41.15 ATOM 962 HG LEU 62 -7.606 -18.674 28.129 1.00 30.41 ATOM 963 CD1 LEU 62 -8.786 -16.994 28.663 1.00 51.32 ATOM 964 HD11 LEU 62 -9.272 -16.590 29.539 1.00 4.24 ATOM 965 HD12 LEU 62 -9.527 -17.201 27.905 1.00 74.22 ATOM 966 HD13 LEU 62 -8.075 -16.276 28.281 1.00 24.15 ATOM 967 CD2 LEU 62 -6.945 -18.016 30.039 1.00 32.33 ATOM 968 HD21 LEU 62 -6.268 -17.277 29.636 1.00 45.43 ATOM 969 HD22 LEU 62 -6.400 -18.931 30.232 1.00 63.25 ATOM 970 HD23 LEU 62 -7.369 -17.649 30.963 1.00 1.33 ATOM 971 C LEU 62 -9.487 -21.579 30.647 1.00 50.20 ATOM 972 O LEU 62 -9.641 -21.599 31.868 1.00 64.25 ATOM 973 N ARG 63 -10.211 -22.347 29.827 1.00 31.35 ATOM 974 HN ARG 63 -10.056 -22.295 28.860 1.00 38.29 ATOM 975 CA ARG 63 -11.248 -23.262 30.342 1.00 44.32 ATOM 976 HA ARG 63 -11.950 -22.670 30.915 1.00 60.33 ATOM 977 CB ARG 63 -12.001 -23.936 29.184 1.00 71.12 ATOM 978 HB1 ARG 63 -12.408 -23.167 28.541 1.00 38.29 ATOM 979 HB2 ARG 63 -12.817 -24.518 29.589 1.00 33.42 ATOM 980 CG ARG 63 -11.131 -24.855 28.335 1.00 75.14 ATOM 981 HG1 ARG 63 -10.737 -25.644 28.963 1.00 38.29 ATOM 982 HG2 ARG 63 -10.310 -24.280 27.929 1.00 12.14 ATOM 983 CD ARG 63 -11.905 -25.482 27.180 1.00 20.13 ATOM 984 HD1 ARG 63 -11.213 -26.041 26.564 1.00 38.29 ATOM 985 HD2 ARG 63 -12.346 -24.693 26.590 1.00 3.21 ATOM 986 NE ARG 63 -12.968 -26.376 27.638 1.00 12.24 ATOM 987 HE ARG 63 -13.720 -25.977 28.121 1.00 55.11 ATOM 988 CZ ARG 63 -12.989 -27.664 27.416 1.00 14.24 ATOM 989 NH1 ARG 63 -12.003 -28.243 26.804 1.00 62.30 ATOM 990 HH11 ARG 63 -11.219 -27.707 26.498 1.00 54.14 ATOM 991 HH12 ARG 63 -12.025 -29.229 26.640 1.00 73.21 ATOM 992 NH2 ARG 63 -13.992 -28.375 27.815 1.00 62.43 ATOM 993 HH21 ARG 63 -14.751 -27.941 28.295 1.00 71.24 ATOM 994 HH22 ARG 63 -14.011 -29.355 27.633 1.00 52.43 ATOM 995 C ARG 63 -10.645 -24.336 31.268 1.00 10.20 ATOM 996 O ARG 63 -11.334 -24.893 32.125 1.00 71.34 ATOM 997 N GLU 64 -9.358 -24.629 31.080 1.00 25.34 ATOM 998 HN GLU 64 -8.879 -24.205 30.337 1.00 38.29 ATOM 999 CA GLU 64 -8.634 -25.577 31.941 1.00 31.21 ATOM 1000 HA GLU 64 -9.366 -26.124 32.520 1.00 12.22 ATOM 1001 CB GLU 64 -7.847 -26.569 31.074 1.00 42.21 ATOM 1002 HB1 GLU 64 -7.221 -27.176 31.715 1.00 38.29 ATOM 1003 HB2 GLU 64 -7.216 -26.016 30.390 1.00 52.21 ATOM 1004 CG GLU 64 -8.742 -27.500 30.260 1.00 33.54 ATOM 1005 HG1 GLU 64 -9.415 -26.897 29.665 1.00 38.29 ATOM 1006 HG2 GLU 64 -9.318 -28.106 30.944 1.00 53.53 ATOM 1007 CD GLU 64 -7.969 -28.429 29.337 1.00 63.11 ATOM 1008 OE1 GLU 64 -8.398 -28.622 28.180 1.00 11.10 ATOM 1009 OE2 GLU 64 -6.920 -28.967 29.759 1.00 60.33 ATOM 1010 C GLU 64 -7.700 -24.838 32.914 1.00 43.14 ATOM 1011 O GLU 64 -6.831 -25.441 33.546 1.00 53.01 ATOM 1012 N ARG 65 -7.909 -23.524 33.030 1.00 1.33 ATOM 1013 HN ARG 65 -8.612 -23.116 32.482 1.00 38.29 ATOM 1014 CA ARG 65 -7.144 -22.659 33.943 1.00 72.34 ATOM 1015 HA ARG 65 -7.495 -21.648 33.791 1.00 41.52 ATOM 1016 CB ARG 65 -7.407 -23.051 35.409 1.00 60.40 ATOM 1017 HB1 ARG 65 -6.969 -22.301 36.053 1.00 38.29 ATOM 1018 HB2 ARG 65 -6.926 -24.000 35.605 1.00 71.32 ATOM 1019 CG ARG 65 -8.888 -23.186 35.771 1.00 62.22 ATOM 1020 HG1 ARG 65 -8.971 -23.341 36.838 1.00 38.29 ATOM 1021 HG2 ARG 65 -9.293 -24.044 35.256 1.00 12.13 ATOM 1022 CD ARG 65 -9.706 -21.953 35.385 1.00 21.44 ATOM 1023 HD1 ARG 65 -10.732 -22.111 35.690 1.00 38.29 ATOM 1024 HD2 ARG 65 -9.670 -21.835 34.312 1.00 50.14 ATOM 1025 NE ARG 65 -9.212 -20.726 36.005 1.00 23.32 ATOM 1026 HE ARG 65 -8.546 -20.207 35.511 1.00 32.12 ATOM 1027 CZ ARG 65 -9.628 -20.260 37.154 1.00 62.42 ATOM 1028 NH1 ARG 65 -10.499 -20.911 37.861 1.00 51.11 ATOM 1029 HH11 ARG 65 -10.860 -21.778 37.533 1.00 63.13 ATOM 1030 HH12 ARG 65 -10.807 -20.537 38.734 1.00 55.33 ATOM 1031 NH2 ARG 65 -9.166 -19.140 37.597 1.00 62.01 ATOM 1032 HH21 ARG 65 -8.495 -18.633 37.063 1.00 2.14 ATOM 1033 HH22 ARG 65 -9.482 -18.785 38.476 1.00 74.24 ATOM 1034 C ARG 65 -5.633 -22.692 33.649 1.00 42.54 ATOM 1035 O ARG 65 -4.812 -22.463 34.543 1.00 14.40 ATOM 1036 N ARG 66 -5.269 -22.953 32.394 1.00 75.11 ATOM 1037 HN ARG 66 -5.963 -23.124 31.724 1.00 38.29 ATOM 1038 CA ARG 66 -3.858 -22.986 31.989 1.00 11.10 ATOM 1039 HA ARG 66 -3.307 -23.537 32.738 1.00 62.03 ATOM 1040 CB ARG 66 -3.685 -23.679 30.629 1.00 31.31 ATOM 1041 HB1 ARG 66 -2.626 -23.773 30.428 1.00 38.29 ATOM 1042 HB2 ARG 66 -4.124 -23.050 29.866 1.00 74.40 ATOM 1043 CG ARG 66 -4.313 -25.066 30.504 1.00 40.02 ATOM 1044 HG1 ARG 66 -5.385 -24.983 30.623 1.00 38.29 ATOM 1045 HG2 ARG 66 -3.907 -25.712 31.270 1.00 23.51 ATOM 1046 CD ARG 66 -4.004 -25.657 29.132 1.00 14.51 ATOM 1047 HD1 ARG 66 -2.955 -25.925 29.104 1.00 38.29 ATOM 1048 HD2 ARG 66 -4.192 -24.900 28.383 1.00 34.25 ATOM 1049 NE ARG 66 -4.799 -26.840 28.807 1.00 15.24 ATOM 1050 HE ARG 66 -5.163 -27.371 29.544 1.00 72.02 ATOM 1051 CZ ARG 66 -5.034 -27.229 27.579 1.00 4.10 ATOM 1052 NH1 ARG 66 -4.607 -26.528 26.583 1.00 3.14 ATOM 1053 HH11 ARG 66 -4.098 -25.692 26.744 1.00 43.10 ATOM 1054 HH12 ARG 66 -4.806 -26.819 25.645 1.00 32.30 ATOM 1055 NH2 ARG 66 -5.713 -28.300 27.349 1.00 35.44 ATOM 1056 HH21 ARG 66 -6.072 -28.837 28.113 1.00 24.15 ATOM 1057 HH22 ARG 66 -5.881 -28.589 26.412 1.00 75.50 ATOM 1058 C ARG 66 -3.273 -21.565 31.877 1.00 45.32 ATOM 1059 O ARG 66 -4.003 -20.573 31.854 1.00 4.03 ATOM 1060 N VAL 67 -1.950 -21.482 31.794 1.00 0.41 ATOM 1061 HN VAL 67 -1.417 -22.296 31.913 1.00 38.29 ATOM 1062 CA VAL 67 -1.263 -20.209 31.545 1.00 43.43 ATOM 1063 HA VAL 67 -1.965 -19.404 31.729 1.00 60.02 ATOM 1064 CB VAL 67 -0.051 -20.029 32.497 1.00 22.42 ATOM 1065 HB VAL 67 0.695 -20.767 32.235 1.00 62.41 ATOM 1066 CG1 VAL 67 0.582 -18.647 32.328 1.00 65.34 ATOM 1067 HG11 VAL 67 1.419 -18.549 33.004 1.00 2.44 ATOM 1068 HG12 VAL 67 -0.151 -17.884 32.549 1.00 22.12 ATOM 1069 HG13 VAL 67 0.928 -18.530 31.310 1.00 4.23 ATOM 1070 CG2 VAL 67 -0.466 -20.269 33.949 1.00 51.44 ATOM 1071 HG21 VAL 67 -0.855 -21.273 34.051 1.00 61.33 ATOM 1072 HG22 VAL 67 -1.231 -19.560 34.230 1.00 73.35 ATOM 1073 HG23 VAL 67 0.391 -20.148 34.597 1.00 72.44 ATOM 1074 C VAL 67 -0.780 -20.126 30.085 1.00 72.43 ATOM 1075 O VAL 67 -0.630 -19.038 29.526 1.00 3.00 ATOM 1076 N HIS 68 -0.538 -21.288 29.473 1.00 33.25 ATOM 1077 HN HIS 68 -0.699 -22.122 29.965 1.00 38.29 ATOM 1078 CA HIS 68 -0.055 -21.362 28.084 1.00 21.41 ATOM 1079 HA HIS 68 -0.002 -20.354 27.697 1.00 24.30 ATOM 1080 CB HIS 68 1.352 -21.977 28.041 1.00 53.25 ATOM 1081 HB1 HIS 68 1.618 -22.182 27.013 1.00 38.29 ATOM 1082 HB2 HIS 68 1.350 -22.902 28.597 1.00 13.32 ATOM 1083 CG HIS 68 2.416 -21.095 28.623 1.00 44.03 ATOM 1084 ND1 HIS 68 2.642 -20.977 29.977 1.00 33.21 ATOM 1085 HD1 HIS 68 2.151 -21.449 30.683 1.00 74.44 ATOM 1086 CD2 HIS 68 3.325 -20.288 28.025 1.00 23.15 ATOM 1087 HD2 HIS 68 3.439 -20.126 26.963 1.00 52.11 ATOM 1088 CE1 HIS 68 3.638 -20.141 30.186 1.00 73.45 ATOM 1089 HE1 HIS 68 4.035 -19.860 31.150 1.00 63.20 ATOM 1090 NE2 HIS 68 4.068 -19.709 29.021 1.00 64.12 ATOM 1091 HE2 HIS 68 4.904 -19.204 28.884 1.00 38.29 ATOM 1092 C HIS 68 -0.997 -22.178 27.181 1.00 32.15 ATOM 1093 O HIS 68 -1.801 -22.982 27.656 1.00 21.14 ATOM 1094 N VAL 69 -0.878 -21.961 25.870 1.00 51.30 ATOM 1095 HN VAL 69 -0.244 -21.283 25.561 1.00 38.29 ATOM 1096 CA VAL 69 -1.661 -22.693 24.870 1.00 1.14 ATOM 1097 HA VAL 69 -2.452 -23.229 25.381 1.00 51.25 ATOM 1098 CB VAL 69 -2.307 -21.722 23.848 1.00 44.52 ATOM 1099 HB VAL 69 -1.514 -21.267 23.269 1.00 45.34 ATOM 1100 CG1 VAL 69 -3.220 -22.476 22.882 1.00 42.54 ATOM 1101 HG11 VAL 69 -2.645 -23.217 22.345 1.00 50.04 ATOM 1102 HG12 VAL 69 -3.655 -21.780 22.180 1.00 63.03 ATOM 1103 HG13 VAL 69 -4.007 -22.966 23.437 1.00 71.42 ATOM 1104 CG2 VAL 69 -3.071 -20.607 24.561 1.00 3.11 ATOM 1105 HG21 VAL 69 -3.521 -19.951 23.829 1.00 3.13 ATOM 1106 HG22 VAL 69 -2.389 -20.041 25.178 1.00 71.21 ATOM 1107 HG23 VAL 69 -3.844 -21.038 25.181 1.00 2.42 ATOM 1108 C VAL 69 -0.777 -23.700 24.112 1.00 24.31 ATOM 1109 O VAL 69 0.368 -23.394 23.764 1.00 14.44 ATOM 1110 N THR 70 -1.310 -24.895 23.860 1.00 15.03 ATOM 1111 HN THR 70 -2.231 -25.073 24.148 1.00 38.29 ATOM 1112 CA THR 70 -0.566 -25.945 23.145 1.00 61.44 ATOM 1113 HA THR 70 0.485 -25.688 23.168 1.00 71.02 ATOM 1114 CB THR 70 -0.741 -27.336 23.810 1.00 35.40 ATOM 1115 HB THR 70 -0.066 -28.034 23.333 1.00 21.12 ATOM 1116 OG1 THR 70 -2.088 -27.805 23.644 1.00 24.14 ATOM 1117 HG1 THR 70 -2.697 -27.108 23.910 1.00 52.25 ATOM 1118 CG2 THR 70 -0.404 -27.277 25.298 1.00 10.41 ATOM 1119 HG21 THR 70 0.627 -26.974 25.425 1.00 12.23 ATOM 1120 HG22 THR 70 -0.547 -28.252 25.737 1.00 35.01 ATOM 1121 HG23 THR 70 -1.053 -26.564 25.787 1.00 41.23 ATOM 1122 C THR 70 -1.014 -26.050 21.682 1.00 44.14 ATOM 1123 O THR 70 -2.080 -25.559 21.308 1.00 52.10 ATOM 1124 N GLN 71 -0.202 -26.709 20.859 1.00 0.53 ATOM 1125 HN GLN 71 0.629 -27.093 21.214 1.00 38.29 ATOM 1126 CA GLN 71 -0.518 -26.887 19.437 1.00 43.21 ATOM 1127 HA GLN 71 -0.679 -25.908 19.009 1.00 22.31 ATOM 1128 CB GLN 71 0.666 -27.557 18.721 1.00 60.12 ATOM 1129 HB1 GLN 71 0.786 -28.557 19.114 1.00 38.29 ATOM 1130 HB2 GLN 71 1.562 -26.991 18.931 1.00 41.51 ATOM 1131 CG GLN 71 0.513 -27.656 17.207 1.00 75.41 ATOM 1132 HG1 GLN 71 0.362 -26.663 16.806 1.00 38.29 ATOM 1133 HG2 GLN 71 -0.350 -28.267 16.984 1.00 62.31 ATOM 1134 CD GLN 71 1.732 -28.272 16.535 1.00 74.41 ATOM 1135 OE1 GLN 71 2.852 -28.150 17.018 1.00 50.13 ATOM 1136 NE2 GLN 71 1.527 -28.928 15.414 1.00 60.40 ATOM 1137 HE21 GLN 71 0.616 -28.981 15.073 1.00 54.11 ATOM 1138 HE22 GLN 71 2.297 -29.352 14.981 1.00 62.24 ATOM 1139 C GLN 71 -1.799 -27.722 19.260 1.00 72.31 ATOM 1140 O GLN 71 -2.557 -27.534 18.301 1.00 72.42 ATOM 1141 N GLU 72 -2.035 -28.627 20.211 1.00 0.23 ATOM 1142 HN GLU 72 -1.384 -28.731 20.936 1.00 38.29 ATOM 1143 CA GLU 72 -3.231 -29.476 20.207 1.00 1.34 ATOM 1144 HA GLU 72 -3.228 -30.048 19.289 1.00 24.23 ATOM 1145 CB GLU 72 -3.190 -30.449 21.395 1.00 5.14 ATOM 1146 HB1 GLU 72 -4.071 -31.076 21.362 1.00 38.29 ATOM 1147 HB2 GLU 72 -3.201 -29.879 22.313 1.00 73.34 ATOM 1148 CG GLU 72 -1.960 -31.357 21.407 1.00 24.43 ATOM 1149 HG1 GLU 72 -1.074 -30.741 21.496 1.00 38.29 ATOM 1150 HG2 GLU 72 -1.920 -31.900 20.473 1.00 62.43 ATOM 1151 CD GLU 72 -1.973 -32.362 22.551 1.00 61.41 ATOM 1152 OE1 GLU 72 -1.390 -32.070 23.618 1.00 14.44 ATOM 1153 OE2 GLU 72 -2.561 -33.453 22.387 1.00 25.11 ATOM 1154 C GLU 72 -4.521 -28.634 20.259 1.00 71.30 ATOM 1155 O GLU 72 -5.517 -28.970 19.618 1.00 60.43 ATOM 1156 N ASP 73 -4.490 -27.529 21.009 1.00 31.44 ATOM 1157 HN ASP 73 -3.662 -27.294 21.480 1.00 38.29 ATOM 1158 CA ASP 73 -5.663 -26.653 21.139 1.00 64.44 ATOM 1159 HA ASP 73 -6.497 -27.267 21.451 1.00 73.14 ATOM 1160 CB ASP 73 -5.414 -25.578 22.203 1.00 32.51 ATOM 1161 HB1 ASP 73 -6.311 -24.986 22.329 1.00 38.29 ATOM 1162 HB2 ASP 73 -4.609 -24.935 21.873 1.00 30.42 ATOM 1163 CG ASP 73 -5.040 -26.172 23.546 1.00 42.32 ATOM 1164 OD1 ASP 73 -5.782 -27.039 24.055 1.00 54.44 ATOM 1165 OD2 ASP 73 -3.999 -25.783 24.105 1.00 5.13 ATOM 1166 C ASP 73 -6.016 -25.993 19.797 1.00 11.51 ATOM 1167 O ASP 73 -7.191 -25.867 19.443 1.00 74.21 ATOM 1168 N PHE 74 -4.990 -25.583 19.049 1.00 41.22 ATOM 1169 HN PHE 74 -4.079 -25.687 19.398 1.00 38.29 ATOM 1170 CA PHE 74 -5.185 -24.979 17.727 1.00 24.11 ATOM 1171 HA PHE 74 -5.810 -24.107 17.859 1.00 71.01 ATOM 1172 CB PHE 74 -3.841 -24.534 17.131 1.00 50.22 ATOM 1173 HB1 PHE 74 -3.974 -24.317 16.079 1.00 38.29 ATOM 1174 HB2 PHE 74 -3.127 -25.339 17.235 1.00 20.00 ATOM 1175 CG PHE 74 -3.254 -23.308 17.788 1.00 20.01 ATOM 1176 CD1 PHE 74 -2.508 -23.412 18.953 1.00 52.42 ATOM 1177 HD1 PHE 74 -2.349 -24.385 19.396 1.00 63.25 ATOM 1178 CD2 PHE 74 -3.446 -22.049 17.234 1.00 45.34 ATOM 1179 HD2 PHE 74 -4.024 -21.952 16.327 1.00 52.52 ATOM 1180 CE1 PHE 74 -1.969 -22.286 19.550 1.00 74.41 ATOM 1181 HE1 PHE 74 -1.390 -22.381 20.458 1.00 53.23 ATOM 1182 CE2 PHE 74 -2.909 -20.924 17.828 1.00 31.21 ATOM 1183 HE2 PHE 74 -3.068 -19.950 17.386 1.00 45.55 ATOM 1184 CZ PHE 74 -2.170 -21.042 18.986 1.00 40.23 ATOM 1185 HZ PHE 74 -1.749 -20.161 19.451 1.00 62.25 ATOM 1186 C PHE 74 -5.894 -25.943 16.761 1.00 72.31 ATOM 1187 O PHE 74 -6.889 -25.581 16.134 1.00 64.21 ATOM 1188 N GLU 75 -5.390 -27.170 16.644 1.00 73.41 ATOM 1189 HN GLU 75 -4.589 -27.416 17.162 1.00 38.29 ATOM 1190 CA GLU 75 -6.010 -28.157 15.750 1.00 33.44 ATOM 1191 HA GLU 75 -6.163 -27.661 14.799 1.00 63.42 ATOM 1192 CB GLU 75 -5.079 -29.356 15.515 1.00 70.44 ATOM 1193 HB1 GLU 75 -4.221 -29.015 14.954 1.00 38.29 ATOM 1194 HB2 GLU 75 -5.607 -30.092 14.925 1.00 64.41 ATOM 1195 CG GLU 75 -4.577 -30.040 16.779 1.00 12.34 ATOM 1196 HG1 GLU 75 -5.420 -30.469 17.304 1.00 38.29 ATOM 1197 HG2 GLU 75 -4.098 -29.302 17.409 1.00 35.42 ATOM 1198 CD GLU 75 -3.578 -31.144 16.470 1.00 11.41 ATOM 1199 OE1 GLU 75 -4.006 -32.257 16.104 1.00 3.04 ATOM 1200 OE2 GLU 75 -2.356 -30.896 16.554 1.00 3.52 ATOM 1201 C GLU 75 -7.390 -28.608 16.264 1.00 0.43 ATOM 1202 O GLU 75 -8.282 -28.914 15.471 1.00 61.12 ATOM 1203 N MET 76 -7.569 -28.640 17.586 1.00 25.45 ATOM 1204 HN MET 76 -6.795 -28.521 18.179 1.00 38.29 ATOM 1205 CA MET 76 -8.897 -28.867 18.176 1.00 65.03 ATOM 1206 HA MET 76 -9.288 -29.788 17.762 1.00 23.32 ATOM 1207 CB MET 76 -8.797 -29.008 19.702 1.00 71.23 ATOM 1208 HB1 MET 76 -9.779 -28.876 20.133 1.00 38.29 ATOM 1209 HB2 MET 76 -8.142 -28.235 20.079 1.00 10.13 ATOM 1210 CG MET 76 -8.254 -30.356 20.157 1.00 13.41 ATOM 1211 HG1 MET 76 -8.173 -30.354 21.236 1.00 38.29 ATOM 1212 HG2 MET 76 -7.274 -30.502 19.725 1.00 32.14 ATOM 1213 SD MET 76 -9.313 -31.732 19.658 1.00 53.14 ATOM 1214 CE MET 76 -10.854 -31.303 20.475 1.00 43.40 ATOM 1215 HE1 MET 76 -11.589 -32.072 20.286 1.00 5.10 ATOM 1216 HE2 MET 76 -11.216 -30.360 20.093 1.00 44.23 ATOM 1217 HE3 MET 76 -10.687 -31.220 21.539 1.00 3.31 ATOM 1218 C MET 76 -9.858 -27.723 17.811 1.00 2.20 ATOM 1219 O MET 76 -11.058 -27.935 17.628 1.00 33.01 ATOM 1220 N ALA 77 -9.320 -26.506 17.716 1.00 70.11 ATOM 1221 HN ALA 77 -8.383 -26.377 17.978 1.00 38.29 ATOM 1222 CA ALA 77 -10.093 -25.356 17.243 1.00 51.10 ATOM 1223 HA ALA 77 -10.993 -25.295 17.840 1.00 65.44 ATOM 1224 CB ALA 77 -9.305 -24.064 17.439 1.00 14.02 ATOM 1225 HB1 ALA 77 -8.410 -24.090 16.835 1.00 30.35 ATOM 1226 HB2 ALA 77 -9.034 -23.961 18.479 1.00 41.21 ATOM 1227 HB3 ALA 77 -9.914 -23.222 17.142 1.00 43.20 ATOM 1228 C ALA 77 -10.487 -25.531 15.770 1.00 44.21 ATOM 1229 O ALA 77 -11.647 -25.349 15.406 1.00 24.43 ATOM 1230 N VAL 78 -9.516 -25.910 14.934 1.00 21.01 ATOM 1231 HN VAL 78 -8.602 -25.996 15.281 1.00 38.29 ATOM 1232 CA VAL 78 -9.769 -26.183 13.509 1.00 62.22 ATOM 1233 HA VAL 78 -10.065 -25.253 13.041 1.00 64.52 ATOM 1234 CB VAL 78 -8.494 -26.709 12.796 1.00 51.10 ATOM 1235 HB VAL 78 -8.190 -27.624 13.287 1.00 25.44 ATOM 1236 CG1 VAL 78 -8.777 -27.033 11.328 1.00 53.45 ATOM 1237 HG11 VAL 78 -9.536 -27.799 11.267 1.00 53.25 ATOM 1238 HG12 VAL 78 -7.872 -27.387 10.855 1.00 23.41 ATOM 1239 HG13 VAL 78 -9.122 -26.143 10.820 1.00 44.13 ATOM 1240 CG2 VAL 78 -7.350 -25.704 12.921 1.00 71.12 ATOM 1241 HG21 VAL 78 -7.612 -24.789 12.409 1.00 40.22 ATOM 1242 HG22 VAL 78 -6.454 -26.119 12.481 1.00 52.03 ATOM 1243 HG23 VAL 78 -7.169 -25.490 13.966 1.00 25.41 ATOM 1244 C VAL 78 -10.898 -27.210 13.332 1.00 41.22 ATOM 1245 O VAL 78 -11.803 -27.027 12.513 1.00 13.13 ATOM 1246 N ALA 79 -10.843 -28.284 14.120 1.00 33.52 ATOM 1247 HN ALA 79 -10.072 -28.394 14.719 1.00 38.29 ATOM 1248 CA ALA 79 -11.887 -29.314 14.108 1.00 62.45 ATOM 1249 HA ALA 79 -11.917 -29.743 13.117 1.00 22.44 ATOM 1250 CB ALA 79 -11.532 -30.424 15.091 1.00 4.14 ATOM 1251 HB1 ALA 79 -10.573 -30.846 14.827 1.00 44.04 ATOM 1252 HB2 ALA 79 -12.287 -31.196 15.055 1.00 5.53 ATOM 1253 HB3 ALA 79 -11.481 -30.018 16.092 1.00 50.15 ATOM 1254 C ALA 79 -13.271 -28.728 14.438 1.00 62.15 ATOM 1255 O ALA 79 -14.293 -29.188 13.927 1.00 54.42 ATOM 1256 N LYS 80 -13.296 -27.706 15.291 1.00 21.03 ATOM 1257 HN LYS 80 -12.454 -27.392 15.680 1.00 38.29 ATOM 1258 CA LYS 80 -14.547 -27.043 15.673 1.00 31.23 ATOM 1259 HA LYS 80 -15.325 -27.796 15.688 1.00 4.13 ATOM 1260 CB LYS 80 -14.416 -26.449 17.084 1.00 44.23 ATOM 1261 HB1 LYS 80 -13.654 -25.681 17.069 1.00 38.29 ATOM 1262 HB2 LYS 80 -14.108 -27.234 17.764 1.00 24.31 ATOM 1263 CG LYS 80 -15.709 -25.834 17.617 1.00 5.13 ATOM 1264 HG1 LYS 80 -16.511 -26.550 17.495 1.00 38.29 ATOM 1265 HG2 LYS 80 -15.935 -24.945 17.045 1.00 23.44 ATOM 1266 CD LYS 80 -15.604 -25.457 19.094 1.00 24.24 ATOM 1267 HD1 LYS 80 -15.358 -26.343 19.664 1.00 38.29 ATOM 1268 HD2 LYS 80 -16.559 -25.075 19.424 1.00 5.03 ATOM 1269 CE LYS 80 -14.540 -24.397 19.348 1.00 12.14 ATOM 1270 HE1 LYS 80 -14.805 -23.498 18.812 1.00 38.29 ATOM 1271 HE2 LYS 80 -13.589 -24.762 18.990 1.00 33.32 ATOM 1272 NZ LYS 80 -14.418 -24.079 20.794 1.00 65.21 ATOM 1273 HZ1 LYS 80 -15.335 -23.765 21.169 1.00 30.14 ATOM 1274 HZ2 LYS 80 -13.723 -23.318 20.936 1.00 64.55 ATOM 1275 HZ3 LYS 80 -14.105 -24.917 21.324 1.00 53.34 ATOM 1276 C LYS 80 -14.947 -25.953 14.655 1.00 62.11 ATOM 1277 O LYS 80 -16.121 -25.597 14.540 1.00 34.00 ATOM 1278 N VAL 81 -13.966 -25.427 13.920 1.00 1.32 ATOM 1279 HN VAL 81 -13.044 -25.719 14.081 1.00 38.29 ATOM 1280 CA VAL 81 -14.225 -24.415 12.885 1.00 40.12 ATOM 1281 HA VAL 81 -14.960 -23.724 13.280 1.00 64.00 ATOM 1282 CB VAL 81 -12.941 -23.609 12.551 1.00 2.12 ATOM 1283 HB VAL 81 -12.164 -24.309 12.273 1.00 21.25 ATOM 1284 CG1 VAL 81 -13.171 -22.663 11.370 1.00 15.42 ATOM 1285 HG11 VAL 81 -13.972 -21.976 11.606 1.00 31.55 ATOM 1286 HG12 VAL 81 -13.438 -23.236 10.494 1.00 61.44 ATOM 1287 HG13 VAL 81 -12.267 -22.104 11.170 1.00 51.52 ATOM 1288 CG2 VAL 81 -12.461 -22.827 13.775 1.00 45.32 ATOM 1289 HG21 VAL 81 -12.237 -23.515 14.578 1.00 43.35 ATOM 1290 HG22 VAL 81 -13.233 -22.142 14.094 1.00 45.40 ATOM 1291 HG23 VAL 81 -11.570 -22.270 13.521 1.00 54.41 ATOM 1292 C VAL 81 -14.790 -25.047 11.597 1.00 45.44 ATOM 1293 O VAL 81 -15.866 -24.667 11.130 1.00 2.54 ATOM 1294 N MET 82 -14.063 -26.012 11.028 1.00 65.05 ATOM 1295 HN MET 82 -13.220 -26.284 11.448 1.00 38.29 ATOM 1296 CA MET 82 -14.498 -26.675 9.787 1.00 20.43 ATOM 1297 HA MET 82 -14.974 -25.927 9.166 1.00 53.30 ATOM 1298 CB MET 82 -13.291 -27.247 9.027 1.00 22.45 ATOM 1299 HB1 MET 82 -13.643 -27.738 8.131 1.00 38.29 ATOM 1300 HB2 MET 82 -12.797 -27.976 9.653 1.00 65.41 ATOM 1301 CG MET 82 -12.268 -26.193 8.621 1.00 34.33 ATOM 1302 HG1 MET 82 -11.816 -25.786 9.515 1.00 38.29 ATOM 1303 HG2 MET 82 -12.775 -25.402 8.087 1.00 72.33 ATOM 1304 SD MET 82 -10.964 -26.856 7.564 1.00 0.54 ATOM 1305 CE MET 82 -11.898 -27.311 6.101 1.00 11.41 ATOM 1306 HE1 MET 82 -12.377 -26.434 5.692 1.00 51.12 ATOM 1307 HE2 MET 82 -12.647 -28.043 6.365 1.00 21.32 ATOM 1308 HE3 MET 82 -11.228 -27.730 5.365 1.00 21.13 ATOM 1309 C MET 82 -15.516 -27.791 10.070 1.00 40.14 ATOM 1310 O MET 82 -16.400 -28.060 9.252 1.00 61.32 ATOM 1311 N GLN 83 -15.381 -28.437 11.227 1.00 43.12 ATOM 1312 HN GLN 83 -14.618 -28.220 11.804 1.00 38.29 ATOM 1313 CA GLN 83 -16.330 -29.467 11.674 1.00 31.33 ATOM 1314 HA GLN 83 -15.969 -29.831 12.625 1.00 42.32 ATOM 1315 CB GLN 83 -17.728 -28.860 11.892 1.00 21.03 ATOM 1316 HB1 GLN 83 -18.405 -29.644 12.206 1.00 38.29 ATOM 1317 HB2 GLN 83 -18.079 -28.449 10.955 1.00 23.52 ATOM 1318 CG GLN 83 -17.757 -27.754 12.942 1.00 4.32 ATOM 1319 HG1 GLN 83 -17.058 -26.980 12.652 1.00 38.29 ATOM 1320 HG2 GLN 83 -17.455 -28.167 13.893 1.00 11.14 ATOM 1321 CD GLN 83 -19.129 -27.129 13.103 1.00 74.31 ATOM 1322 OE1 GLN 83 -19.937 -27.569 13.913 1.00 41.41 ATOM 1323 NE2 GLN 83 -19.407 -26.102 12.326 1.00 5.35 ATOM 1324 HE21 GLN 83 -18.723 -25.800 11.697 1.00 31.23 ATOM 1325 HE22 GLN 83 -20.291 -25.687 12.410 1.00 25.02 ATOM 1326 C GLN 83 -16.409 -30.664 10.710 1.00 74.53 ATOM 1327 O GLN 83 -17.398 -30.842 9.996 1.00 13.34 ATOM 1328 N LYS 84 -15.350 -31.472 10.677 1.00 22.40 ATOM 1329 HN LYS 84 -14.537 -31.211 11.164 1.00 38.29 ATOM 1330 CA LYS 84 -15.358 -32.734 9.920 1.00 60.44 ATOM 1331 HA LYS 84 -16.077 -32.637 9.118 1.00 32.55 ATOM 1332 CB LYS 84 -13.967 -33.009 9.312 1.00 51.24 ATOM 1333 HB1 LYS 84 -13.991 -33.973 8.820 1.00 38.29 ATOM 1334 HB2 LYS 84 -13.242 -33.051 10.114 1.00 41.32 ATOM 1335 CG LYS 84 -13.487 -31.966 8.292 1.00 45.52 ATOM 1336 HG1 LYS 84 -12.418 -32.079 8.162 1.00 38.29 ATOM 1337 HG2 LYS 84 -13.690 -30.979 8.685 1.00 65.43 ATOM 1338 CD LYS 84 -14.166 -32.099 6.918 1.00 41.11 ATOM 1339 HD1 LYS 84 -14.168 -33.143 6.634 1.00 38.29 ATOM 1340 HD2 LYS 84 -13.596 -31.536 6.196 1.00 22.42 ATOM 1341 CE LYS 84 -15.603 -31.581 6.906 1.00 73.13 ATOM 1342 HE1 LYS 84 -15.610 -30.567 7.278 1.00 38.29 ATOM 1343 HE2 LYS 84 -16.204 -32.203 7.553 1.00 52.21 ATOM 1344 NZ LYS 84 -16.195 -31.596 5.541 1.00 33.21 ATOM 1345 HZ1 LYS 84 -17.178 -31.257 5.571 1.00 61.32 ATOM 1346 HZ2 LYS 84 -16.190 -32.561 5.157 1.00 63.42 ATOM 1347 HZ3 LYS 84 -15.650 -30.981 4.904 1.00 42.13 ATOM 1348 C LYS 84 -15.791 -33.910 10.818 1.00 43.15 ATOM 1349 O LYS 84 -15.459 -35.065 10.554 1.00 75.31 ATOM 1350 N ASP 85 -16.556 -33.598 11.867 1.00 64.03 ATOM 1351 HN ASP 85 -16.809 -32.664 12.003 1.00 38.29 ATOM 1352 CA ASP 85 -17.042 -34.603 12.818 1.00 65.31 ATOM 1353 HA ASP 85 -16.180 -35.107 13.232 1.00 73.11 ATOM 1354 CB ASP 85 -17.796 -33.901 13.955 1.00 13.24 ATOM 1355 HB1 ASP 85 -18.579 -33.288 13.529 1.00 38.29 ATOM 1356 HB2 ASP 85 -17.106 -33.267 14.494 1.00 32.24 ATOM 1357 CG ASP 85 -18.422 -34.871 14.944 1.00 52.42 ATOM 1358 OD1 ASP 85 -17.688 -35.685 15.534 1.00 14.21 ATOM 1359 OD2 ASP 85 -19.656 -34.815 15.142 1.00 21.32 ATOM 1360 C ASP 85 -17.941 -35.650 12.129 1.00 2.11 ATOM 1361 O ASP 85 -19.108 -35.388 11.821 1.00 62.13 ATOM 1362 N SER 86 -17.371 -36.825 11.867 1.00 20.43 ATOM 1363 HN SER 86 -16.427 -36.950 12.102 1.00 38.29 ATOM 1364 HA SER 86 -19.131 -37.885 11.550 1.00 30.41 ATOM 1365 CB SER 86 -18.046 -37.813 9.698 1.00 55.32 ATOM 1366 HB1 SER 86 -18.517 -38.676 9.249 1.00 38.29 ATOM 1367 HB2 SER 86 -17.014 -37.760 9.378 1.00 55.44 ATOM 1368 OG SER 86 -18.719 -36.645 9.254 1.00 40.11 ATOM 1369 HG SER 86 -18.641 -35.957 9.925 1.00 24.13 ATOM 1370 CA SER 86 -18.098 -37.939 11.229 1.00 62.23 ATOM 1371 C SER 86 -17.517 -39.297 11.659 1.00 41.42 ATOM 1372 OT1 SER 86 -18.162 -40.003 12.464 1.00 38.29 ATOM 1373 OT2 SER 86 -16.403 -39.641 11.211 1.00 38.29 ATOM 1374 OH2 TIP3 1 -18.107 -36.485 1.300 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -18.117 -37.464 1.329 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -18.837 -36.222 1.886 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.841 -35.041 0.816 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.596 -35.653 0.967 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.249 -34.265 0.396 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -17.933 -33.299 0.108 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.171 -33.458 1.055 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.456 -33.945 -0.377 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -13.869 -35.211 2.679 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -13.507 -36.114 2.775 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -14.408 -35.251 1.852 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.201 -30.857 1.087 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.495 -31.718 0.722 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.712 -30.452 0.366 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -20.249 -38.459 3.239 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -20.134 -38.898 4.104 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -19.570 -38.869 2.669 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -20.082 -35.780 3.313 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -20.813 -35.463 3.896 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -20.259 -36.747 3.217 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -20.208 -39.201 5.969 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -20.091 -38.316 6.373 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -21.166 -39.381 6.066 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -17.780 -40.567 6.353 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -18.687 -40.197 6.357 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -17.619 -40.823 7.282 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.777 -39.513 4.076 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.435 -38.715 4.492 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.107 -40.055 4.834 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -10.642 -29.391 0.059 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -11.334 -29.441 -0.639 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -10.431 -30.331 0.260 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -18.069 -39.241 1.715 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -17.853 -40.001 1.166 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.528 -39.371 2.532 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -11.012 -38.011 5.752 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -11.792 -38.064 6.346 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -10.298 -38.461 6.260 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -18.473 -33.650 2.707 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -18.586 -33.069 3.490 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -19.083 -34.400 2.879 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -12.006 -31.112 3.788 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -11.466 -31.082 4.616 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -12.865 -30.719 4.049 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -12.614 -28.792 -1.765 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -13.306 -28.103 -1.680 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -12.346 -28.743 -2.685 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -12.449 -28.528 1.909 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -12.299 -29.159 2.631 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -11.825 -28.821 1.205 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -21.430 -38.678 12.907 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -21.241 -38.072 12.179 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -21.130 -38.189 13.710 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -16.471 -38.010 15.965 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.278 -38.539 15.778 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.774 -37.067 15.856 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.589 -39.345 15.004 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -18.475 -39.554 14.041 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -19.290 -38.651 15.016 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.908 -44.239 15.556 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.244 -44.117 16.462 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.323 -43.473 15.415 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -20.462 -37.400 15.054 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -20.121 -36.472 15.006 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -20.876 -37.456 15.944 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -23.413 -35.917 18.885 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -23.036 -35.370 18.180 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -23.663 -35.273 19.579 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.414 -41.840 15.626 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.858 -41.974 14.764 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.134 -40.900 15.600 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -18.620 -36.243 17.988 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -18.354 -36.056 17.049 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.477 -36.714 17.905 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -16.806 -41.137 8.955 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -16.617 -40.539 9.715 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -16.969 -41.997 9.370 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -10.048 -34.354 13.445 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -9.244 -34.920 13.412 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -10.793 -34.997 13.464 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.828 -42.774 17.704 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.106 -42.136 17.868 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.305 -42.404 16.934 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -23.631 -40.250 12.488 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -22.998 -39.583 12.824 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -23.817 -40.820 13.272 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -21.125 -33.682 11.339 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -21.683 -34.083 10.630 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.403 -34.331 11.469 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -13.918 -40.666 11.331 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.077 -41.403 11.962 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -14.816 -40.264 11.204 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -10.664 -31.171 6.156 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -10.458 -30.498 6.841 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -10.274 -31.997 6.511 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -14.200 -35.288 18.231 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -15.054 -35.452 18.677 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -13.639 -36.037 18.512 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -21.578 -34.546 17.099 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -21.433 -33.652 17.458 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -20.941 -34.609 16.349 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -18.646 -32.512 8.317 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -19.353 -32.041 7.850 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -18.330 -31.874 8.982 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -14.248 -40.596 7.843 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.192 -40.771 8.027 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -14.243 -39.720 7.431 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -20.406 -41.277 13.084 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -19.541 -40.914 12.776 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -20.995 -40.498 13.099 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -21.883 -41.347 10.658 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -21.145 -41.706 11.173 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -22.570 -41.161 11.329 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.716 -42.744 17.846 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -20.349 -42.416 17.000 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -19.941 -43.073 18.326 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -13.779 -29.565 20.756 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -14.405 -28.858 20.567 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.621 -29.985 19.881 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -23.765 -41.886 14.667 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -23.806 -42.840 14.561 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -23.632 -41.758 15.634 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -22.729 -37.398 8.149 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -22.871 -37.893 7.315 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -23.044 -38.013 8.846 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -21.196 -37.161 17.644 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -21.912 -37.428 18.244 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -21.361 -36.202 17.493 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.183 -42.571 11.788 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -17.800 -43.142 12.298 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -17.479 -41.655 11.987 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -20.260 -36.735 7.244 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -19.611 -36.671 7.996 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -21.120 -36.903 7.689 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.518 -33.486 18.469 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -17.749 -33.191 17.931 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -18.576 -34.446 18.295 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -9.757 -41.582 9.078 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -10.716 -41.817 9.144 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -9.345 -42.375 8.720 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -15.526 -38.404 18.486 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -15.813 -38.199 17.564 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -15.891 -37.666 19.019 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -22.489 -34.898 9.282 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -22.619 -35.812 8.961 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -22.764 -34.341 8.528 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -23.618 -39.402 9.819 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -22.914 -40.088 9.779 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -23.922 -39.436 10.749 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -23.947 -33.699 20.445 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -23.720 -32.940 19.866 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -24.555 -33.331 21.088 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -23.132 -31.064 6.279 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -23.542 -30.404 6.885 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -22.992 -30.562 5.441 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -16.539 -32.471 16.844 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.633 -32.828 16.895 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -16.437 -31.639 16.327 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -25.158 -39.607 7.582 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -24.643 -39.556 8.417 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -26.067 -39.721 7.872 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -21.761 -35.278 5.375 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -21.261 -35.773 6.049 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -22.351 -34.697 5.895 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -18.318 -46.445 11.646 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -18.422 -45.723 12.291 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -17.667 -46.117 11.027 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -15.837 -33.595 3.731 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -16.643 -33.740 3.200 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.176 -34.199 3.333 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.558 -44.286 13.417 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -17.947 -44.371 14.189 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -19.437 -44.284 13.812 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -23.437 -33.707 6.917 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -23.260 -32.755 6.738 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -24.380 -33.805 6.754 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -18.684 -32.539 5.186 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -19.383 -32.135 5.736 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -18.643 -33.477 5.498 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -20.732 -32.046 18.064 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -19.965 -32.577 18.394 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -20.386 -31.615 17.254 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -18.594 -35.212 5.617 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -19.063 -35.725 6.301 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -18.938 -35.567 4.778 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -16.495 -36.022 19.603 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -16.777 -35.426 20.307 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -17.296 -36.111 19.029 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.973 -39.180 6.022 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -23.172 -39.198 5.078 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -23.815 -39.465 6.452 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -13.064 -37.704 7.521 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.875 -38.010 8.433 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -12.985 -36.740 7.573 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -23.245 -41.855 17.344 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.428 -41.270 18.083 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -22.370 -42.249 17.560 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -15.620 -41.095 18.077 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.596 -40.121 18.226 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.133 -41.460 18.825 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -20.403 -30.941 6.615 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -21.360 -31.121 6.478 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -20.182 -30.279 5.917 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.328 -30.177 15.444 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.932 -29.450 15.676 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -15.620 -29.749 14.926 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -15.438 -33.575 24.915 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -14.637 -33.250 25.387 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -15.086 -34.052 24.158 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -12.274 -39.101 9.787 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -12.007 -39.675 9.053 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -12.959 -39.621 10.258 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -12.426 -41.982 9.312 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -13.061 -41.662 8.632 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -12.883 -41.816 10.155 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -12.952 -37.593 19.085 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -12.287 -38.207 18.692 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -13.808 -38.045 18.941 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.238 -38.088 13.515 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.698 -38.813 13.057 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.637 -38.076 14.413 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.671 -38.671 13.047 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.611 -38.417 13.209 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -12.727 -39.347 12.348 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.753 -41.701 15.348 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -15.466 -41.511 16.267 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -16.392 -41.003 15.151 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -21.122 -30.220 20.210 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -20.650 -30.815 19.605 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -22.055 -30.467 20.102 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -19.371 -31.463 15.767 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.580 -32.027 15.843 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -19.916 -31.904 15.080 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -23.283 -31.550 18.874 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -23.664 -31.013 18.153 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -22.392 -31.795 18.543 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -21.088 -32.850 13.971 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -20.674 -33.652 14.375 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -21.230 -33.105 13.033 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -22.641 -30.597 14.182 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -22.169 -31.457 14.168 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -22.916 -30.491 15.114 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -13.676 -32.946 17.022 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -13.872 -33.789 17.498 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -12.862 -33.145 16.516 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -14.096 -33.433 34.354 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -14.454 -32.837 33.654 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -14.785 -34.092 34.476 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -9.333 -33.753 32.292 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -9.734 -34.585 32.034 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -10.007 -33.332 32.870 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -18.909 -29.200 28.239 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -18.676 -30.039 28.686 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -19.143 -29.477 27.326 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -19.287 -30.575 25.885 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -19.783 -31.115 25.263 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -18.422 -31.033 25.966 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -13.550 -29.345 23.489 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.572 -29.572 22.531 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -12.619 -29.533 23.760 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -16.911 -31.867 26.405 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.550 -32.634 25.899 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -16.258 -31.151 26.244 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.967 -31.721 28.917 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.583 -31.867 28.019 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -18.447 -32.535 29.104 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -14.737 -30.230 25.786 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -14.211 -31.052 25.883 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -14.431 -29.854 24.926 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.704 -26.880 23.100 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.428 -27.138 22.491 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.183 -27.701 23.216 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -14.953 -31.632 32.518 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -15.379 -31.253 31.724 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -14.566 -30.852 32.976 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.223 -32.495 26.024 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -12.606 -32.017 26.624 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.626 -32.939 25.375 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -13.152 -31.191 29.780 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -14.129 -31.091 29.798 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -12.964 -31.796 30.510 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -12.759 -31.291 37.599 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -11.961 -31.427 37.040 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -13.466 -31.733 37.113 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -15.814 -30.522 30.140 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.600 -30.985 29.777 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -15.960 -29.580 29.896 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -16.632 -20.355 0.777 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.089 -20.652 1.594 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -15.710 -20.229 1.052 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -13.509 -23.307 -3.383 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -12.646 -22.995 -3.749 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -13.263 -23.775 -2.559 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.754 -14.262 -4.446 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.220 -13.415 -4.637 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -14.996 -14.254 -5.054 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -14.563 -26.772 -1.547 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -14.900 -26.727 -0.631 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.319 -26.471 -2.089 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.557 -16.533 -4.315 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.490 -16.690 -4.497 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -18.361 -15.704 -4.769 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.982 -25.502 -2.090 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.728 -24.594 -2.384 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.786 -25.692 -2.585 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -13.429 -23.339 4.957 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -12.933 -22.869 4.253 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -13.124 -24.250 4.889 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.205 -29.764 3.610 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -17.335 -30.288 2.785 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -16.669 -29.001 3.320 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -16.164 -25.993 0.597 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -16.216 -25.145 1.088 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.632 -25.810 -0.244 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -14.068 -11.038 1.729 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -14.229 -11.880 1.260 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.271 -11.240 2.650 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -15.072 -19.112 -2.297 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.488 -18.278 -2.582 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.827 -19.725 -2.173 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -17.205 -20.736 -1.842 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -18.164 -20.694 -1.913 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -17.030 -20.636 -0.873 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -13.534 -17.042 -4.235 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -13.328 -16.098 -4.391 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.365 -17.023 -3.733 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -14.137 -22.566 0.665 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.783 -23.300 0.128 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.942 -22.940 1.080 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -14.869 -20.358 -7.109 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -15.600 -19.857 -6.734 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.934 -21.242 -6.672 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -16.761 -11.784 -4.945 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.895 -11.323 -4.098 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -16.398 -11.095 -5.535 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -15.860 -15.338 3.782 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -16.672 -14.985 3.398 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -15.909 -15.080 4.732 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -15.818 -15.854 -0.437 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -15.906 -16.140 -1.369 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -16.111 -16.616 0.072 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -17.771 -21.382 3.064 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -18.598 -21.220 3.532 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -17.112 -21.531 3.783 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.931 -22.004 4.956 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.205 -22.634 5.136 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.367 -21.878 5.835 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -16.325 -23.582 2.016 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -16.117 -23.842 2.923 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -16.974 -22.858 2.120 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -19.661 -29.035 4.733 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -19.384 -28.151 5.077 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -18.856 -29.378 4.289 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -22.314 -29.509 4.212 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -21.361 -29.291 4.331 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -22.529 -29.156 3.345 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -11.733 -18.490 -7.889 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -12.458 -18.909 -8.390 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -11.898 -18.763 -6.957 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -12.447 -19.344 -5.349 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -12.743 -18.532 -4.874 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -13.261 -19.847 -5.487 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -16.103 -16.606 -3.107 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -17.004 -16.826 -3.436 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.898 -15.744 -3.545 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -13.597 -20.103 -9.482 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.115 -20.712 -10.019 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -14.033 -20.139 -8.596 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -11.674 -18.149 1.191 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -12.240 -17.387 1.329 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.265 -18.918 1.354 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -16.229 -23.057 -2.961 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -15.251 -23.049 -3.034 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -16.450 -22.181 -2.576 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -13.524 -20.103 1.661 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -13.653 -21.028 1.347 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.563 -20.174 2.639 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -14.136 -13.602 -7.142 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -13.191 -13.863 -7.086 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -14.497 -14.166 -7.831 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.255 -28.029 2.359 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -14.337 -28.068 2.026 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.680 -27.340 1.809 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.266 -12.826 -1.747 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.631 -13.690 -1.995 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.670 -12.594 -2.494 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -14.517 -9.194 -3.221 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -14.547 -8.223 -3.105 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -15.406 -9.499 -2.944 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -19.971 -15.697 -13.695 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -20.720 -16.274 -13.849 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -19.418 -15.810 -14.467 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -14.447 -13.624 0.728 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -14.861 -14.508 0.651 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -14.640 -13.201 -0.139 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -17.975 -16.907 9.357 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.140 -16.590 10.265 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -18.027 -17.888 9.435 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -20.786 -21.614 13.533 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.862 -21.840 13.262 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -21.289 -21.617 12.692 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -22.285 -21.612 11.161 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -22.547 -21.995 10.289 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -22.304 -20.660 11.013 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -22.119 -28.390 12.680 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -22.476 -29.151 13.195 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -21.303 -28.140 13.166 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -23.655 -23.647 12.472 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -23.202 -22.828 12.184 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -23.032 -24.368 12.219 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -25.057 -24.174 10.176 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -24.717 -23.923 11.061 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -25.551 -24.982 10.335 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.421 -17.443 11.709 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -15.109 -18.040 12.397 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -15.251 -17.936 10.869 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -24.899 -27.917 15.016 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -24.869 -26.973 14.726 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -25.288 -28.381 14.266 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.715 -17.584 14.824 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -16.742 -17.506 14.788 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -17.880 -18.104 15.640 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.883 -30.925 10.971 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -21.389 -30.669 11.750 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.900 -31.907 10.988 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -17.957 -16.481 12.177 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.056 -16.797 11.951 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.124 -16.856 13.065 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.633 -19.583 9.753 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -17.700 -20.419 10.245 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.662 -19.407 9.715 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -13.884 -20.108 4.403 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -14.480 -20.836 4.662 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -14.442 -19.303 4.495 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.630 -19.907 15.773 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -20.766 -20.363 14.917 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -19.798 -19.434 15.660 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -15.087 -16.919 15.368 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -15.567 -16.180 15.797 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.853 -17.520 16.117 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -14.416 -23.568 7.654 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -14.547 -22.752 8.194 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -13.919 -23.262 6.877 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.121 -14.610 7.839 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.039 -15.409 8.410 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -19.079 -14.381 7.890 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -14.136 -12.678 5.950 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.732 -13.403 6.242 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -13.813 -12.978 5.081 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -17.592 -12.002 8.560 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -18.473 -11.612 8.490 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -17.723 -12.939 8.290 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -23.594 -29.721 16.704 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -24.216 -29.260 16.105 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -23.190 -29.003 17.218 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -15.456 -17.931 4.867 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -15.710 -17.152 4.337 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -15.912 -17.801 5.723 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -18.688 -26.716 5.827 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.893 -26.742 6.782 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -17.882 -26.184 5.774 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -24.671 -25.262 14.468 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -24.408 -24.762 15.264 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -24.459 -24.657 13.728 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -22.256 -25.817 11.665 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -22.347 -26.639 12.190 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -22.307 -26.122 10.743 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -17.080 -21.453 7.356 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -17.716 -20.838 7.745 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -16.305 -21.407 7.963 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -20.820 -23.040 20.064 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -20.274 -23.847 20.047 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.796 -22.710 19.138 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.285 -22.472 12.972 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -17.731 -23.110 13.435 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.760 -22.230 12.177 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -23.344 -22.533 8.813 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -24.068 -23.064 9.217 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -23.358 -22.782 7.885 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -14.234 -12.041 24.078 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -13.674 -12.116 24.872 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -13.881 -11.257 23.612 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -24.065 -28.986 7.836 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -24.641 -28.234 7.678 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -23.526 -28.716 8.610 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -15.506 -28.045 6.147 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -15.627 -27.097 6.362 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.355 -28.456 6.413 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.124 -18.288 22.044 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -17.157 -18.239 21.864 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.484 -18.791 21.287 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -16.281 -25.519 7.014 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -15.609 -24.830 7.223 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -16.922 -25.449 7.735 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -20.633 -14.009 8.625 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -21.537 -14.287 8.791 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -20.190 -14.088 9.502 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.968 -18.742 17.310 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.294 -18.054 17.903 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.566 -19.408 17.915 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.703 -22.083 10.742 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -16.006 -21.670 10.174 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -16.508 -23.038 10.696 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -14.729 -18.589 17.429 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.514 -19.151 17.381 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -14.344 -18.791 18.312 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -15.881 -17.300 7.574 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -15.380 -17.897 8.180 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -16.694 -17.086 8.081 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.342 -15.278 18.551 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -19.054 -15.762 19.013 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -17.866 -14.808 19.268 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -22.438 -28.134 9.908 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -22.347 -28.366 10.856 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -21.631 -28.499 9.495 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -18.679 -28.880 16.461 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.275 -28.327 15.930 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -18.964 -29.800 16.261 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.669 -29.361 7.321 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -17.225 -29.038 8.128 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.603 -29.426 7.575 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -13.079 -15.723 13.998 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -13.817 -16.196 14.442 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -13.024 -16.138 13.116 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -17.183 -14.011 20.721 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -17.804 -14.520 21.280 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -16.350 -13.981 21.254 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -13.544 -13.787 3.427 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -13.540 -13.641 2.460 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -14.275 -14.427 3.563 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -15.819 -14.797 6.422 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -16.664 -14.578 6.881 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.549 -15.650 6.824 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -23.326 -24.098 16.647 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -23.354 -23.387 17.299 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -22.486 -23.942 16.157 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -19.666 -19.524 20.049 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -19.772 -20.074 19.258 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -19.857 -20.141 20.796 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -20.956 -23.644 15.360 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -20.978 -22.913 14.699 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -20.429 -24.331 14.935 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -23.587 -26.800 17.226 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -23.480 -25.855 16.990 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -24.148 -27.161 16.512 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -20.809 -21.969 17.548 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -20.773 -22.653 16.850 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -20.804 -21.121 17.050 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -16.632 -22.319 21.144 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -17.340 -22.711 21.705 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -16.255 -21.612 21.696 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -22.608 -26.440 19.743 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -22.950 -26.686 18.855 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -22.934 -25.545 19.881 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -17.308 -28.819 18.960 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.909 -29.693 18.863 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -17.867 -28.723 18.163 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -19.105 -25.331 20.550 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -19.743 -26.064 20.695 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -18.274 -25.781 20.350 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.696 -27.592 21.360 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -16.977 -28.045 20.533 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -17.463 -27.694 21.963 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -20.572 -27.648 20.999 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -20.643 -28.592 20.732 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -21.380 -27.231 20.610 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -18.859 -27.674 23.079 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.574 -27.692 22.399 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.174 -28.268 23.771 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -16.990 -15.116 16.211 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -17.471 -15.085 17.073 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -17.540 -15.694 15.655 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.297 -29.695 4.388 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.601 -29.280 3.555 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.588 -29.061 5.085 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -15.144 -14.214 12.479 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -15.864 -13.746 12.010 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -15.278 -15.147 12.251 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -14.160 -12.060 17.972 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.877 -11.863 18.615 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.633 -12.436 17.200 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -20.199 -29.414 8.844 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -20.432 -29.998 8.087 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -20.301 -29.998 9.638 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.824 -27.011 8.650 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -19.456 -27.740 8.813 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -17.984 -27.340 9.012 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -13.364 -30.448 18.202 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -12.637 -30.134 17.655 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -13.592 -31.325 17.820 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -16.157 -20.070 25.631 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -17.111 -19.898 25.524 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -15.822 -20.111 24.720 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -13.512 -18.302 31.691 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -13.865 -18.702 32.512 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -14.020 -17.472 31.592 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.238 -24.753 28.749 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.959 -25.132 29.292 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -15.478 -23.827 28.655 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -11.789 -24.396 36.664 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -12.601 -24.780 37.023 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -11.302 -25.169 36.294 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -14.779 -16.051 28.629 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.526 -15.482 27.878 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -14.876 -16.941 28.232 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -16.435 -28.073 29.089 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.663 -27.234 29.541 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -17.239 -28.295 28.577 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -12.968 -28.685 30.948 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -13.410 -28.998 31.761 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.952 -29.468 30.368 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.882 -17.000 24.903 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.443 -16.199 24.914 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -17.514 -17.737 25.000 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -14.706 -18.564 27.410 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -15.346 -19.127 26.917 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -14.064 -18.296 26.734 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -15.255 -18.102 36.179 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -15.078 -18.529 35.307 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.213 -18.122 36.260 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.596 -19.219 24.570 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -18.462 -18.895 23.650 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -19.343 -19.826 24.498 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -19.947 -21.388 22.016 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -20.486 -21.943 21.407 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -19.393 -22.036 22.494 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -13.150 -21.317 35.043 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -12.972 -22.132 34.522 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -13.500 -21.652 35.896 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -14.292 -22.338 24.718 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -14.858 -22.402 25.495 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -14.702 -21.635 24.182 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.446 -18.039 21.622 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.035 -17.166 21.694 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.937 -18.490 20.897 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -10.864 -15.573 37.428 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -11.744 -15.913 37.141 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -10.578 -15.019 36.686 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.405 -14.756 24.432 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -19.263 -14.525 24.804 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.603 -14.987 23.497 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -14.927 -20.927 39.628 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -15.462 -20.866 40.426 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -14.266 -21.625 39.834 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.641 -20.467 18.963 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.873 -21.225 19.532 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.778 -20.161 19.317 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.432 -23.615 22.687 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.811 -24.233 22.026 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.134 -24.205 23.423 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -12.688 -23.213 22.709 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -12.812 -22.362 22.251 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -13.118 -23.081 23.581 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -17.297 -25.746 30.304 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -17.439 -25.638 31.252 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -18.187 -25.998 29.952 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -14.864 -19.499 33.862 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -15.509 -19.958 33.275 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -14.299 -20.224 34.211 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.576 -25.588 24.373 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -18.043 -26.322 23.929 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.968 -26.037 24.995 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.259 -20.437 22.915 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.420 -19.508 22.643 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -14.634 -20.780 22.227 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -20.251 -16.876 19.728 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -21.032 -16.923 19.163 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -20.031 -17.820 19.911 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -12.949 -16.639 36.106 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -13.879 -16.935 36.187 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -12.477 -17.434 35.751 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -16.487 -20.585 31.930 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -17.353 -20.716 31.540 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -15.889 -20.468 31.157 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.023 -14.017 22.333 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.813 -14.802 22.882 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -14.724 -13.260 22.880 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -9.321 -15.993 23.273 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -9.279 -15.224 22.667 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -9.424 -16.759 22.680 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.894 -27.458 25.603 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.524 -28.318 25.851 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -15.358 -27.180 24.834 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -10.808 -26.427 35.163 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -11.130 -26.823 34.326 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -10.366 -27.167 35.619 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -14.795 -19.991 29.863 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.780 -19.536 28.999 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -14.165 -19.482 30.412 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -14.492 -16.094 24.028 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.374 -16.439 24.314 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -13.867 -16.800 24.288 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -18.983 -15.708 21.944 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -19.629 -15.882 21.231 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -18.598 -16.594 22.132 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -12.429 -14.931 31.963 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -12.361 -14.260 31.274 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -13.333 -15.304 31.847 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -10.888 -17.223 31.960 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -11.609 -17.854 31.764 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -11.347 -16.362 32.047 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -13.341 -19.046 38.374 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.837 -18.758 37.588 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -13.972 -19.615 38.859 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.182 -22.441 37.372 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -13.584 -22.769 38.071 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.783 -21.838 37.843 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -14.606 -24.804 35.832 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -14.710 -23.991 36.362 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.177 -24.499 35.011 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -12.663 -23.797 34.102 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -12.204 -24.080 34.920 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -12.215 -24.298 33.389 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.042 -27.565 35.371 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -13.515 -27.789 36.163 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.384 -26.669 35.557 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.900 -15.911 31.308 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.823 -15.743 31.522 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.880 -15.927 30.316 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -12.314 -30.839 40.304 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -12.376 -31.706 40.709 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.484 -31.005 39.353 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -19.602 -26.793 29.280 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -20.521 -26.642 29.042 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.400 -27.682 28.905 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -14.009 -14.474 26.336 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -14.864 -13.984 26.309 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.044 -15.049 25.549 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -11.420 -24.264 42.039 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -11.094 -23.528 42.565 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -10.600 -24.671 41.663 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -10.330 -17.460 41.727 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -10.600 -16.566 42.043 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -10.696 -17.509 40.813 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -9.287 -19.184 43.584 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -9.727 -18.478 43.062 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -8.349 -18.907 43.617 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.911 -22.761 39.918 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -12.671 -23.607 40.339 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.350 -22.096 40.384 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -12.464 -28.488 37.523 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -12.565 -28.146 38.446 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -12.724 -29.427 37.591 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -12.682 -28.086 40.179 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -12.740 -27.599 41.027 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.521 -29.015 40.445 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -14.248 -6.421 -2.909 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -13.779 -5.594 -3.138 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -14.725 -6.201 -2.082 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -13.365 -4.151 -6.050 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -12.601 -3.792 -6.564 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -14.141 -3.837 -6.532 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.809 -4.156 1.730 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.170 -3.406 1.637 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -16.636 -3.731 1.987 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.512 -5.695 2.175 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.307 -5.131 2.080 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.818 -6.588 1.917 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -15.254 -5.835 -0.389 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -15.666 -6.669 -0.128 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -15.605 -5.183 0.258 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -13.009 -4.166 -0.644 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -13.743 -4.800 -0.521 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -12.989 -4.011 -1.615 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.150 -0.162 1.051 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -11.511 -0.251 0.306 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -12.805 0.467 0.725 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -10.965 -6.306 1.485 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -11.911 -6.036 1.560 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -10.590 -6.081 2.360 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -11.652 -4.083 -9.947 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -10.769 -4.146 -10.368 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.045 -4.972 -10.084 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -12.664 -8.078 4.230 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.143 -7.619 4.950 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -11.903 -7.500 4.051 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -13.742 -2.466 1.410 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.356 -2.988 0.676 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -13.198 -1.655 1.438 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -11.384 -5.486 4.139 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -12.222 -5.227 3.699 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -11.596 -5.456 5.086 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -9.765 -6.603 -5.109 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -9.768 -6.287 -4.180 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -10.705 -6.803 -5.295 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -12.843 -3.954 -3.344 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -13.054 -3.973 -4.303 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.120 -3.291 -3.273 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.557 -6.749 -5.504 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -12.868 -5.858 -5.778 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.151 -6.993 -4.779 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -15.624 -9.584 -6.200 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -16.276 -9.228 -6.852 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.400 -8.823 -5.652 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.581 -11.761 -3.609 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -13.853 -10.872 -3.291 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -13.507 -11.648 -4.580 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.522 -8.592 -7.849 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -18.355 -8.196 -7.571 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -17.676 -8.853 -8.764 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -16.790 -10.599 -2.405 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -16.341 -11.385 -2.024 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -17.626 -10.549 -1.927 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -10.277 -9.146 18.628 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -10.786 -9.616 17.957 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -10.738 -9.355 19.469 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.309 -10.600 12.440 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -15.580 -9.687 12.292 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -14.827 -10.572 13.293 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -16.539 -11.731 19.311 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -17.355 -11.229 19.375 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -16.737 -12.573 19.774 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -12.033 -10.641 5.505 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -12.854 -11.004 5.885 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -12.318 -9.827 5.046 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -16.925 -12.563 11.185 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -16.419 -11.840 11.608 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.017 -12.278 10.252 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -11.345 -7.214 7.827 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -12.174 -7.043 7.346 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -10.814 -6.397 7.684 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -11.192 -9.630 21.188 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -12.021 -9.565 21.709 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -10.490 -9.721 21.873 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -13.658 -3.828 4.829 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -13.086 -3.053 5.047 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.123 -3.557 4.027 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -10.457 -4.650 7.420 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -11.129 -4.002 7.182 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -9.683 -4.104 7.685 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -13.527 -6.221 6.199 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -13.647 -5.350 5.749 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -14.338 -6.334 6.711 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -13.575 -8.368 1.590 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -13.287 -8.339 2.528 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -13.834 -9.309 1.451 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -13.841 -10.401 14.877 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -12.993 -9.911 14.957 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -14.207 -10.389 15.773 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -13.089 -9.643 23.226 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.708 -8.904 23.241 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.623 -9.583 24.094 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -10.278 -12.528 24.076 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -9.958 -11.628 23.850 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -10.065 -13.061 23.279 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -13.430 -11.133 10.391 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -14.139 -11.027 11.047 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -13.902 -11.131 9.527 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -9.288 -13.637 21.787 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -8.435 -13.158 21.781 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -9.833 -13.169 21.120 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -8.607 -11.896 4.216 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -8.404 -11.538 5.087 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -9.435 -12.404 4.353 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -11.063 -12.180 20.212 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -11.986 -12.479 20.194 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -11.111 -11.275 20.588 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.430 -12.961 15.700 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -16.075 -12.478 15.174 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -15.903 -13.790 15.955 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -19.110 -14.334 10.877 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -18.430 -13.656 11.065 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -18.855 -15.091 11.445 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -14.961 -11.190 8.150 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.914 -11.405 8.232 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -14.675 -11.674 7.351 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -16.337 -13.266 25.614 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -17.095 -13.713 25.187 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -15.922 -12.757 24.896 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -10.394 -35.841 2.692 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -10.995 -36.603 2.735 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -10.883 -35.126 3.146 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 1.097 -29.673 2.848 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 0.432 -30.379 2.893 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 1.443 -29.610 3.780 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 2.055 -32.616 1.807 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 1.934 -32.670 2.768 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 3.008 -32.808 1.675 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -10.197 -31.962 1.005 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -10.907 -31.962 1.662 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -9.539 -32.590 1.364 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -7.746 -33.054 -0.445 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -8.624 -32.667 -0.555 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -7.808 -33.548 0.399 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -8.473 -34.011 2.022 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -9.097 -34.766 2.152 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -8.013 -33.938 2.867 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 1.397 -32.318 4.705 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 0.532 -32.184 4.276 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 1.639 -31.414 5.041 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -12.530 -37.610 3.507 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -11.876 -37.742 4.232 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -13.097 -38.387 3.559 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 4.793 -32.785 1.506 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 5.070 -31.876 1.273 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 5.471 -33.346 1.121 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -11.857 -33.891 3.951 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -12.671 -34.216 3.500 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -11.924 -32.914 3.892 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -5.474 -32.182 -1.707 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -5.159 -33.043 -1.991 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -6.312 -32.380 -1.229 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -0.936 -31.759 3.184 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -0.881 -32.324 2.399 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -1.572 -32.233 3.779 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -2.429 -29.432 2.614 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -3.014 -29.297 3.373 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -1.885 -30.207 2.863 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -9.563 -26.807 -0.350 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -10.358 -26.501 0.124 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -9.643 -27.781 -0.337 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -7.123 -25.671 -0.849 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -7.949 -26.164 -0.647 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -6.678 -26.225 -1.539 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 2.492 -30.163 0.473 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 2.285 -31.106 0.623 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 2.053 -29.707 1.219 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -4.406 -35.821 12.350 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -3.923 -35.185 12.910 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -4.805 -36.446 13.000 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -3.201 -36.010 16.928 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -4.165 -36.159 17.036 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -2.839 -36.147 17.822 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -6.702 -39.526 14.675 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -7.539 -39.232 14.254 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -6.855 -40.451 14.881 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 0.435 -34.869 12.892 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 0.031 -35.738 12.805 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 0.237 -34.605 13.819 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -10.375 -32.018 12.011 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -9.498 -31.629 12.067 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -10.285 -32.884 12.469 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -10.109 -40.056 11.353 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -10.782 -39.483 10.933 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -9.775 -40.609 10.615 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -9.048 -38.697 13.563 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.763 -38.890 14.203 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -9.344 -39.136 12.734 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -3.305 -34.391 14.640 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -3.199 -35.139 15.271 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -3.734 -33.682 15.186 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -12.169 -43.633 12.963 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -12.230 -44.573 12.776 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -13.105 -43.333 12.996 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -0.963 -34.747 9.100 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -0.535 -34.453 8.262 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -0.230 -35.044 9.644 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -8.441 -36.835 18.034 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -8.827 -36.680 18.909 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -9.161 -36.603 17.412 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -10.732 -35.837 19.501 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -10.789 -35.793 18.523 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -11.505 -36.374 19.756 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -9.608 -33.468 7.339 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -10.190 -34.184 6.990 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -9.535 -33.661 8.280 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 2.361 -31.613 14.843 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 1.623 -31.445 15.469 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 2.835 -32.361 15.235 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 2.550 -33.344 12.059 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 2.407 -33.299 11.089 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 1.809 -33.902 12.385 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 2.065 -33.964 16.830 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 2.869 -34.521 16.851 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 1.940 -33.694 17.750 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -3.627 -35.150 9.467 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -3.724 -35.496 10.372 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -2.654 -35.018 9.362 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -5.940 -36.255 17.057 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -6.796 -36.612 17.386 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -6.075 -35.274 17.057 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -8.760 -34.272 20.678 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -8.814 -33.405 20.225 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -9.525 -34.777 20.320 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 5.701 -30.969 7.532 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 4.956 -31.587 7.405 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 5.401 -30.143 7.098 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -12.169 -36.079 13.805 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -12.180 -36.966 13.383 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -13.092 -35.916 14.033 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -11.164 -33.557 15.869 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -10.837 -33.705 14.956 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -10.418 -33.144 16.323 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 4.329 -31.585 24.510 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 4.313 -30.890 25.186 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 3.675 -32.243 24.832 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -12.542 -30.597 11.135 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.051 -30.200 10.407 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.887 -31.193 11.565 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -11.064 -39.132 17.910 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -11.148 -39.291 16.943 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -10.114 -39.104 18.063 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -14.717 -42.663 12.992 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -15.569 -42.774 12.510 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -14.987 -42.367 13.889 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -9.305 -31.954 24.604 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -8.629 -32.568 24.238 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -8.976 -31.743 25.505 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.124 -34.306 8.786 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -5.176 -34.466 8.981 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -6.594 -34.848 9.450 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 4.455 -35.468 17.135 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 4.381 -36.427 17.167 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 5.261 -35.307 16.591 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -5.644 -33.049 19.786 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -4.734 -33.350 19.580 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -5.695 -33.104 20.756 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -6.773 -36.094 10.790 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -5.891 -36.086 11.217 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -7.399 -36.100 11.543 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -2.035 -31.821 7.597 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -2.885 -31.604 7.170 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -1.929 -32.768 7.442 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -11.168 -39.418 15.217 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -10.947 -40.319 14.876 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -11.805 -39.067 14.556 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -3.127 -34.099 19.775 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -2.959 -35.060 19.698 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -2.967 -33.901 20.726 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -1.191 -32.766 18.385 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -1.742 -32.240 17.771 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -1.843 -33.284 18.903 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 8.355 -33.269 7.691 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 8.472 -32.901 6.811 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 7.488 -33.720 7.649 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -0.329 -34.148 15.423 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -0.967 -34.403 16.108 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 0.502 -33.972 15.923 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -9.447 -39.211 7.653 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -8.701 -38.681 8.016 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -9.438 -40.031 8.182 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -7.962 -36.209 13.297 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.111 -36.301 13.778 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -8.396 -37.085 13.412 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -6.152 -33.586 17.137 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -5.412 -33.101 16.704 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -6.127 -33.276 18.066 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 2.528 -32.922 9.384 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 2.884 -33.082 8.478 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 1.688 -32.426 9.225 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 0.281 -31.147 16.541 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 0.653 -31.087 17.441 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -0.689 -31.027 16.678 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 4.514 -28.679 6.520 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 4.477 -28.385 5.582 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 3.587 -28.958 6.717 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 5.893 -34.518 7.808 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 5.659 -34.108 8.678 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 5.917 -35.461 7.992 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -2.755 -33.052 4.755 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -3.385 -32.409 5.145 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -2.911 -33.872 5.268 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -3.801 -34.705 6.718 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -3.600 -35.005 7.625 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -4.759 -34.593 6.715 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -7.396 -37.636 8.582 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -7.266 -37.208 9.452 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -6.874 -37.102 7.977 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -4.445 -31.391 6.108 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -4.535 -30.418 6.047 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.363 -31.711 6.257 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -6.904 -32.629 6.729 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -6.590 -33.116 7.521 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -7.862 -32.806 6.709 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 0.486 -31.336 8.594 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -0.456 -31.242 8.323 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 0.928 -30.536 8.216 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 3.710 -32.891 6.926 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 3.226 -32.853 6.084 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 4.423 -33.538 6.768 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -11.474 -33.554 24.280 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -10.715 -32.937 24.380 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -11.128 -34.269 23.738 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -6.640 -36.012 20.480 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -7.308 -35.295 20.437 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -6.331 -36.104 19.570 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 0.426 -33.616 7.031 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 0.475 -32.771 7.520 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 0.747 -33.392 6.139 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 0.827 -31.157 19.364 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 1.562 -31.751 19.624 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 0.083 -31.769 19.157 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -2.331 -36.702 19.586 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -2.128 -36.560 20.544 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -2.129 -37.630 19.439 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -1.898 -36.092 22.192 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -2.004 -36.422 23.096 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -1.999 -35.116 22.281 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -11.277 -35.298 6.265 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -11.488 -34.850 5.418 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -11.034 -36.209 6.002 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 4.913 -33.092 18.431 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 4.163 -32.915 19.038 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 4.752 -34.003 18.112 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 4.340 -34.658 23.419 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 3.464 -34.359 23.103 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 4.967 -34.134 22.903 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 4.976 -33.618 13.194 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 4.052 -33.617 12.859 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 4.892 -33.311 14.122 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 5.462 -28.866 16.734 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 4.545 -28.711 17.032 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 5.365 -29.419 15.935 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -5.601 -37.066 14.435 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -5.851 -38.017 14.515 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -5.572 -36.750 15.364 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -10.603 -41.519 13.674 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -11.096 -42.347 13.476 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -10.393 -41.150 12.794 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -10.809 -36.137 16.756 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -11.311 -36.797 16.257 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -11.072 -35.281 16.356 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -9.967 -29.407 8.134 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -9.028 -29.236 8.342 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -10.345 -28.517 8.016 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 3.409 -30.280 9.572 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 2.890 -29.811 8.864 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 3.282 -31.223 9.369 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 1.892 -33.575 22.684 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 1.782 -32.643 22.962 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 1.256 -34.064 23.246 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -6.689 -31.564 28.938 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -6.804 -30.628 29.225 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -6.858 -32.086 29.750 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 0.126 -31.693 30.220 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -0.323 -32.443 29.783 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -0.585 -31.246 30.710 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -2.333 -30.772 28.260 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -1.925 -31.642 28.457 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -2.673 -30.876 27.336 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 2.391 -33.152 25.814 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 2.890 -33.975 26.030 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 1.515 -33.480 25.502 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -4.343 -32.848 29.891 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -4.887 -32.352 29.249 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -4.991 -33.178 30.540 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -2.432 -30.577 30.977 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -3.139 -31.117 31.361 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -2.584 -30.640 30.009 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -1.591 -28.144 28.604 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -1.707 -29.121 28.563 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -2.241 -27.808 27.978 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 5.707 -31.191 27.235 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 6.357 -31.432 26.548 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 6.170 -31.384 28.081 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -11.419 -32.965 33.902 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -12.356 -33.198 34.073 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -11.182 -32.373 34.639 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -4.221 -29.166 24.580 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -3.396 -28.830 24.181 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -4.910 -28.522 24.286 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 3.806 -35.473 25.956 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 4.098 -35.261 25.039 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 4.010 -36.405 26.059 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -2.319 -35.334 25.020 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -3.015 -36.027 24.963 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -2.697 -34.578 24.547 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 1.088 -31.058 23.651 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 1.340 -30.967 24.581 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 0.149 -31.382 23.685 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 2.120 -29.953 29.559 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 2.411 -30.294 28.686 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 1.441 -30.603 29.855 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -1.792 -27.969 31.430 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -1.636 -27.768 30.488 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -1.991 -28.933 31.435 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -1.773 -33.354 29.000 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -1.826 -34.049 28.332 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -2.687 -33.301 29.367 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -2.609 -27.938 34.124 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -1.993 -28.637 34.438 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -2.483 -27.925 33.159 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 3.049 -30.827 27.123 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 4.003 -31.020 27.293 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 2.689 -31.678 26.785 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 5.393 -28.436 24.763 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 4.741 -28.316 25.489 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 4.839 -28.597 23.970 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 0.071 -34.078 24.722 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -0.491 -33.355 24.353 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -0.578 -34.752 25.013 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -10.496 -31.412 36.003 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -9.642 -31.864 35.998 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -10.260 -30.456 36.028 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -5.242 -33.622 22.505 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -4.278 -33.414 22.508 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -5.280 -34.569 22.727 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -2.959 -31.281 25.716 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -3.539 -30.606 25.302 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -2.420 -31.625 24.969 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -7.856 -33.867 23.236 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -8.235 -34.022 22.341 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -6.933 -33.577 23.058 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 4.151 -28.872 31.107 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 3.663 -28.161 31.568 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 3.486 -29.267 30.507 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -9.447 -27.930 25.821 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -8.730 -27.475 25.358 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -9.053 -28.164 26.704 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 1.160 -29.315 21.531 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 1.091 -29.963 22.269 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 1.058 -29.865 20.722 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -6.233 -36.197 23.131 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -6.355 -36.316 22.157 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -7.011 -35.682 23.405 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -4.115 -37.271 24.403 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -4.911 -36.873 23.978 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -4.309 -38.211 24.434 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -11.032 -29.817 24.407 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -10.469 -29.135 24.824 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -10.455 -30.609 24.364 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 1.220 -27.661 28.243 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 0.256 -27.694 28.374 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 1.566 -28.336 28.859 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -3.698 -28.609 38.314 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -2.943 -29.084 37.957 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -3.846 -27.880 37.673 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -9.018 -29.034 33.738 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.755 -28.558 33.315 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.166 -28.907 34.690 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -11.273 -27.510 32.711 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -11.772 -28.011 32.027 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -11.318 -26.584 32.402 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 1.182 -27.549 36.014 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 0.509 -26.933 35.659 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 1.460 -28.077 35.238 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -0.640 -29.562 35.143 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -0.235 -29.090 35.885 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 0.114 -29.786 34.564 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 1.825 -29.403 33.859 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 2.268 -30.156 33.450 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 2.084 -28.639 33.296 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -11.558 -30.932 27.445 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -10.579 -31.049 27.431 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -11.801 -31.034 28.387 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -7.031 -30.284 32.206 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -6.957 -29.717 31.408 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -7.698 -29.830 32.763 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -6.896 -32.847 31.339 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -6.868 -31.970 31.793 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -7.718 -33.264 31.682 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -8.835 -31.122 27.254 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -8.749 -30.180 27.551 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -8.119 -31.585 27.737 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 3.444 -28.109 26.653 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 3.329 -29.058 26.868 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 2.688 -27.674 27.105 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -0.533 -16.418 -3.838 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -0.486 -15.955 -4.701 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -1.060 -17.207 -4.023 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -1.028 -15.822 -1.202 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -0.839 -16.126 -2.120 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -0.228 -15.356 -0.938 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -10.785 -24.319 -8.394 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -10.572 -23.363 -8.507 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -11.742 -24.362 -8.490 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -15.076 -22.533 -5.561 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -14.352 -22.864 -4.995 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -15.880 -22.833 -5.112 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -4.299 -12.225 -5.101 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -4.461 -12.577 -5.996 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -3.396 -12.544 -4.877 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 4.652 -25.363 -5.005 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 5.167 -26.169 -4.917 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 3.814 -25.562 -4.540 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -6.594 -27.924 -5.285 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -5.701 -28.045 -5.688 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -6.949 -28.817 -5.228 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 1.949 -24.264 -8.257 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 2.892 -24.049 -8.451 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 1.455 -23.594 -8.731 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -5.522 -20.975 -9.200 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -6.275 -21.621 -9.201 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -4.906 -21.336 -9.847 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 0.940 -26.211 -0.353 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 1.153 -26.476 0.570 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 1.224 -26.977 -0.893 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -9.271 -23.895 -1.274 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -9.723 -24.750 -1.316 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -8.323 -24.131 -1.278 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -2.620 -14.625 -7.949 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -3.274 -13.925 -7.772 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -3.090 -15.242 -8.545 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 1.019 -24.359 -2.303 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 0.987 -24.901 -1.478 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 1.565 -24.899 -2.919 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -9.651 -19.205 -9.472 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -10.146 -19.519 -10.268 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -10.360 -18.943 -8.842 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -3.535 -15.250 -0.296 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -2.644 -15.506 -0.628 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -4.157 -15.717 -0.898 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 2.286 -26.250 -3.795 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 2.050 -27.087 -3.346 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.845 -26.314 -4.676 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -1.848 -13.296 -4.415 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -1.728 -13.788 -3.596 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -1.323 -13.794 -5.071 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -0.578 -14.979 -6.221 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 0.183 -14.926 -6.807 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -1.356 -14.900 -6.829 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 1.916 -20.589 0.517 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 2.471 -19.838 0.227 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 2.182 -21.324 -0.077 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 2.760 -22.456 -1.267 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 2.167 -23.036 -1.794 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 3.216 -21.910 -1.932 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -4.417 -20.019 -6.801 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -4.816 -20.388 -7.614 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -5.153 -19.599 -6.345 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -4.160 -16.111 -9.695 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -4.630 -16.968 -9.538 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -3.666 -16.260 -10.510 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -9.532 -23.702 -5.957 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -8.724 -24.235 -5.763 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -9.899 -24.116 -6.760 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 2.973 -13.187 1.120 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.996 -13.257 1.054 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 3.214 -13.865 1.777 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -10.323 -16.002 -8.224 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -9.534 -16.345 -8.683 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -10.881 -16.796 -8.082 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -5.994 -27.305 -2.653 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -6.253 -27.426 -3.587 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -5.581 -28.162 -2.406 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -0.927 -29.172 -2.159 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -1.467 -28.769 -2.868 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -1.567 -29.350 -1.444 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -3.918 -26.269 2.473 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -2.994 -26.526 2.254 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -4.306 -26.022 1.614 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -11.251 -22.190 -4.408 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -11.240 -21.343 -4.876 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.596 -22.745 -4.893 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -1.946 -19.619 -5.635 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -2.863 -19.665 -5.990 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -1.433 -20.154 -6.243 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -7.472 -22.810 -9.333 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -7.597 -23.776 -9.472 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -8.351 -22.498 -9.056 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -11.511 -19.817 -11.316 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -11.866 -20.003 -12.190 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -12.289 -19.860 -10.723 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -8.472 -25.344 -9.485 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -9.324 -25.089 -9.073 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -8.563 -26.285 -9.652 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -1.548 -25.275 -3.012 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -0.654 -24.960 -2.760 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -1.727 -24.832 -3.847 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 1.468 -10.010 3.763 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.103 -9.340 3.441 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 2.027 -10.797 3.947 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -4.048 -28.394 -6.089 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -3.427 -28.784 -6.709 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -3.523 -28.281 -5.261 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -2.834 -28.003 -3.706 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -2.625 -27.147 -3.293 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -3.520 -28.394 -3.123 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -6.569 -14.937 -8.964 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -7.166 -15.668 -9.231 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -5.675 -15.263 -9.205 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -5.732 -18.254 -9.449 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -6.676 -18.040 -9.497 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -5.709 -19.233 -9.371 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -8.870 -13.519 -8.314 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -7.983 -13.898 -8.477 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -9.468 -14.285 -8.374 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -0.313 -13.001 3.833 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 0.548 -13.251 4.185 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -0.798 -12.657 4.612 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -9.830 -21.776 -8.276 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -9.552 -21.774 -7.346 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -9.656 -20.865 -8.583 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.653 -26.084 -0.624 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -2.237 -25.741 -1.446 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -1.904 -26.199 -0.005 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.642 -28.429 -1.942 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 2.065 -29.077 -1.352 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 0.731 -28.791 -2.081 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 1.638 -18.890 -2.387 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 2.286 -18.670 -1.692 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 1.537 -18.071 -2.885 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -7.340 -25.310 -5.862 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -6.517 -25.055 -6.288 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -7.189 -26.237 -5.583 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -8.221 -16.953 -9.864 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -8.701 -17.810 -9.750 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -8.256 -16.787 -10.817 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -4.887 -24.749 0.403 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -5.714 -25.023 -0.062 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -4.167 -25.127 -0.150 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -2.865 -28.932 -0.115 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -2.799 -29.168 0.835 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -2.824 -27.956 -0.122 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -4.632 -29.576 -2.094 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -4.945 -30.509 -2.029 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -4.042 -29.469 -1.315 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -11.446 -14.004 -6.762 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -10.788 -13.316 -6.949 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -11.075 -14.811 -7.185 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -12.796 -14.374 -4.393 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -12.279 -14.170 -5.203 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -12.996 -13.497 -4.011 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 0.275 -12.769 1.184 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.024 -12.799 2.121 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 0.496 -11.839 1.034 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 4.964 -20.490 -1.899 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 5.514 -21.307 -1.896 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.608 -19.772 -1.745 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 3.593 -18.625 -0.493 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 4.370 -18.086 -0.268 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 3.963 -19.351 -1.047 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 4.457 -23.405 -8.856 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 5.214 -23.350 -9.442 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 4.834 -23.252 -7.959 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 5.539 -23.171 -6.350 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 5.143 -23.946 -5.886 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 6.130 -22.786 -5.699 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 4.065 -27.677 3.971 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 3.261 -27.156 4.215 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 4.214 -27.457 3.041 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -13.010 -24.606 -0.920 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -12.479 -25.003 -0.190 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -13.520 -25.364 -1.277 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 1.217 -27.075 2.199 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 1.514 -26.615 3.026 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 1.234 -28.029 2.438 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -11.800 -25.996 1.088 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -11.212 -25.793 1.851 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -12.219 -26.848 1.334 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -1.440 -27.031 1.735 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -0.485 -26.879 1.909 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.599 -27.942 2.061 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.259 -10.729 -1.159 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -6.200 -10.656 -0.916 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -5.265 -10.726 -2.134 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 0.178 -8.850 0.331 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 0.809 -8.156 0.627 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 0.757 -9.586 0.029 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -1.000 -9.484 2.671 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.219 -9.751 3.208 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -0.618 -9.258 1.795 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -5.174 -16.688 -1.958 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -4.659 -17.502 -2.095 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -6.106 -16.999 -1.929 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 1.341 -26.144 -6.363 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 1.602 -25.336 -6.862 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 1.245 -26.815 -7.042 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -7.638 -8.885 -8.087 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -6.944 -8.967 -8.747 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -8.204 -8.149 -8.422 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 3.066 -14.692 3.711 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 2.473 -15.312 4.170 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 3.961 -15.101 3.812 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 3.654 -15.737 24.145 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.825 -15.632 23.641 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 4.360 -15.687 23.465 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 3.647 -8.612 11.684 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.749 -9.347 11.055 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 4.480 -8.097 11.591 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -1.327 -15.099 35.082 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -0.884 -14.439 34.506 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -0.632 -15.789 35.230 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -0.129 -23.691 31.261 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -0.241 -24.599 31.619 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 0.810 -23.477 31.455 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 3.988 -25.776 34.549 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 3.770 -25.913 35.492 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 3.690 -24.860 34.366 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -4.451 -18.451 33.332 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -4.284 -19.162 32.674 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -3.817 -17.735 33.081 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 3.106 -26.102 37.258 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 2.409 -26.709 36.914 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 3.437 -26.545 38.047 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 5.675 -17.459 35.763 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 4.854 -17.754 36.206 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 5.467 -16.556 35.460 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 5.199 -20.777 37.119 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 6.169 -20.732 37.187 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 5.040 -21.054 36.195 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 0.793 -21.825 38.073 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 0.718 -21.685 39.048 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 0.808 -20.916 37.699 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -5.021 -20.768 36.657 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -4.644 -19.911 36.371 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -4.881 -21.357 35.895 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -6.999 -17.790 36.342 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -6.075 -18.005 36.568 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -7.235 -17.061 36.956 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 3.580 -28.273 22.681 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 2.791 -28.745 22.351 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 4.048 -27.990 21.863 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 5.802 -15.637 22.389 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 6.261 -14.781 22.267 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 6.417 -16.156 22.946 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -11.808 -18.857 35.127 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -10.916 -18.971 34.743 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -12.225 -19.737 35.031 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -11.372 -14.945 34.577 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -12.021 -15.512 35.044 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -11.736 -14.860 33.674 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -3.415 -16.378 38.754 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -3.660 -16.108 37.847 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -4.244 -16.293 39.261 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.019 -13.503 26.033 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -2.688 -13.214 25.162 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -2.338 -13.214 26.654 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -9.263 -12.056 27.096 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -8.959 -12.948 26.829 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -10.224 -12.091 26.979 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -9.344 -18.781 33.775 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -8.472 -18.350 33.680 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -9.904 -18.331 33.111 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -3.842 -26.787 36.213 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -3.555 -25.853 36.135 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -3.424 -27.233 35.434 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 1.389 -23.995 36.578 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 1.999 -24.590 37.060 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 1.208 -23.262 37.215 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.984 -22.288 37.615 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -2.257 -21.350 37.674 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.034 -22.271 37.831 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.113 -26.043 32.682 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -0.678 -26.775 32.360 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -0.428 -25.882 33.602 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 6.103 -21.137 32.093 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 6.638 -21.862 31.705 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 6.319 -20.361 31.542 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -2.185 -19.491 37.688 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -2.044 -19.007 38.523 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -2.935 -19.027 37.267 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 1.970 -19.032 41.112 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 2.563 -19.332 40.380 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 2.514 -18.422 41.620 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -4.155 -18.294 36.019 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -3.991 -17.332 36.137 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -4.221 -18.404 35.040 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -7.942 -9.675 27.637 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -8.369 -10.559 27.630 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -8.296 -9.232 26.839 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 0.987 -17.025 38.542 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 0.428 -16.245 38.313 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 0.472 -17.488 39.233 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 6.299 -13.209 24.512 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 6.752 -13.178 23.646 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 5.411 -12.890 24.326 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -6.974 -17.428 33.599 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -6.087 -17.788 33.376 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -6.981 -17.403 34.579 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -0.603 -25.405 35.323 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 0.070 -24.806 35.721 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -1.451 -25.064 35.656 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -5.778 -13.376 25.846 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -6.187 -14.189 26.170 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -4.820 -13.499 26.025 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -0.051 -13.571 33.096 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -0.117 -13.994 32.219 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -0.091 -12.620 32.900 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -5.956 -15.877 39.652 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -5.929 -14.939 39.386 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -6.816 -16.192 39.309 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -0.564 -18.721 40.069 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 0.272 -18.796 40.573 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -1.177 -19.330 40.533 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -11.080 -17.761 39.153 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -11.913 -18.204 38.861 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -11.024 -16.964 38.589 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 3.431 -20.246 39.131 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 4.155 -20.320 38.467 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 2.948 -21.078 39.045 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 0.470 -19.288 37.050 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -0.501 -19.409 37.151 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 0.685 -18.566 37.676 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 0.682 -21.433 40.736 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 1.172 -20.666 41.090 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -0.231 -21.311 41.072 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -6.536 -26.409 36.052 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -5.594 -26.691 36.045 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -6.721 -26.172 35.120 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -5.141 -20.235 39.380 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -5.119 -20.503 38.436 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -4.705 -20.975 39.848 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -3.291 -24.086 36.106 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -3.807 -23.490 35.526 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -2.826 -23.471 36.728 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -7.758 -28.161 37.936 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -7.147 -28.328 38.678 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -7.283 -27.517 37.372 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -5.589 -24.615 37.980 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -6.067 -25.195 37.355 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -4.747 -24.430 37.535 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -6.822 -12.435 22.574 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -6.976 -11.991 23.440 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -6.353 -13.247 22.808 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -12.171 -12.322 26.052 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -12.636 -13.152 26.300 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -11.574 -12.589 25.316 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -6.702 -13.727 31.759 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -7.347 -14.470 31.761 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -7.131 -13.045 31.235 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 4.915 -14.962 34.910 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 3.987 -14.785 34.620 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 5.057 -14.341 35.633 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 3.104 -17.775 36.814 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 2.941 -18.717 36.950 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 2.563 -17.338 37.502 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 2.399 -22.997 31.854 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 3.238 -23.354 31.469 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 2.524 -23.100 32.830 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 2.869 -23.306 34.447 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 2.286 -23.432 35.229 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 3.572 -22.696 34.763 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -0.211 -13.462 30.296 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -0.297 -12.604 30.759 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 0.019 -13.214 29.381 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -13.579 -29.517 33.548 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -13.916 -28.784 34.121 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -12.690 -29.685 33.884 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -8.229 -16.052 38.112 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -9.194 -15.969 37.953 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -7.900 -15.129 38.062 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -6.764 -13.693 38.022 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -6.442 -13.855 37.104 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -6.806 -12.733 38.091 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -1.001 -15.286 38.000 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -1.293 -15.077 37.100 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -1.802 -15.651 38.436 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -6.040 -14.167 35.430 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -5.568 -13.964 34.596 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -6.970 -14.341 35.143 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -3.858 -15.609 36.204 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -4.608 -15.053 35.897 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -3.086 -15.270 35.703 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 0.636 -16.961 35.366 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 0.511 -17.837 35.774 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 1.585 -16.788 35.468 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 2.542 -14.153 33.906 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 2.947 -13.943 33.043 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 1.588 -13.995 33.767 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -8.616 -14.527 34.572 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -8.514 -14.836 33.651 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -9.580 -14.584 34.732 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -8.553 -15.742 32.096 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -7.951 -16.405 32.504 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.388 -16.236 31.950 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 2.521 -27.114 32.589 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 1.695 -26.591 32.527 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 3.091 -26.595 33.195 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 7.997 -29.196 25.114 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 7.863 -30.168 25.107 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 7.080 -28.833 25.089 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -9.082 -14.470 25.658 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -9.047 -15.243 25.063 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -9.447 -13.760 25.099 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -9.932 -28.754 36.407 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -10.750 -28.577 36.930 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -9.193 -28.570 37.044 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -5.859 -29.109 39.872 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -5.022 -28.887 39.395 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -5.912 -30.067 39.821 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -6.988 -11.134 24.977 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -7.621 -10.827 25.644 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -6.561 -11.922 25.398 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -11.225 -14.947 42.360 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -11.237 -14.434 43.174 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -11.783 -14.447 41.754 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -2.475 -20.909 44.131 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -3.416 -21.125 44.320 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -2.048 -20.946 44.990 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -7.722 -20.793 45.479 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -8.611 -20.439 45.615 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -7.316 -20.175 44.837 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.987 -25.217 41.239 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.221 -24.688 40.957 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.646 -26.128 41.267 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -12.843 -26.586 42.521 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -13.151 -26.470 43.421 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -12.351 -25.762 42.326 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -8.303 -26.170 45.360 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -8.123 -25.202 45.386 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -9.221 -26.230 45.085 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -6.493 -22.780 42.702 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -6.436 -23.501 42.030 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -7.316 -22.294 42.458 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -5.099 -21.438 44.679 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -5.488 -22.023 43.993 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -5.797 -21.369 45.354 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -11.395 -20.955 41.256 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -11.484 -20.070 41.634 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -10.496 -21.237 41.517 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -4.214 -22.300 40.949 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -4.279 -23.155 40.498 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -4.891 -22.348 41.646 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -8.762 -21.405 42.076 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -8.575 -20.828 41.302 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -8.930 -20.773 42.808 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -8.690 -19.276 40.399 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -9.209 -18.579 40.846 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -7.761 -18.973 40.483 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -6.135 -27.162 44.044 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -6.955 -26.893 44.519 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -5.472 -27.218 44.734 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -6.167 -18.324 40.998 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -5.672 -18.955 40.418 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -5.898 -17.440 40.674 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.902 -20.740 41.466 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -2.036 -20.705 42.442 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -2.665 -21.265 41.143 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -7.880 -23.511 45.037 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -7.904 -22.599 45.386 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -7.384 -23.431 44.203 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -6.316 -24.467 40.604 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -6.073 -24.503 39.648 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -6.371 -25.416 40.872 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -6.529 -19.158 43.570 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -6.386 -18.788 42.666 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -5.692 -19.609 43.776 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -6.719 -27.015 41.395 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -6.430 -27.833 40.935 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -6.470 -27.167 42.337 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -2.985 -3.631 -6.362 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -3.255 -3.736 -7.290 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.788 -4.534 -6.072 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -8.434 -2.105 -0.151 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -9.012 -2.890 -0.079 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -9.051 -1.372 -0.315 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -8.718 -1.032 -4.493 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -8.659 -0.249 -5.064 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -7.853 -1.046 -4.025 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -12.343 -6.753 -10.071 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -12.484 -7.448 -10.718 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -12.117 -7.232 -9.248 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -3.901 -1.627 -4.802 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -3.101 -1.110 -4.575 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -3.581 -2.276 -5.470 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 0.931 0.613 -5.638 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 1.807 0.162 -5.738 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 0.996 1.381 -6.216 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -6.315 -4.897 -6.862 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -7.209 -4.518 -7.016 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -6.498 -5.788 -6.492 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -9.056 -4.632 -6.971 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -9.830 -4.043 -7.093 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -9.287 -5.170 -6.188 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -5.489 -4.009 -4.343 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -5.572 -4.310 -5.268 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -4.934 -3.210 -4.401 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 5.320 -6.141 0.250 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 5.178 -7.100 0.409 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 6.078 -5.913 0.841 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -8.166 -3.707 -3.805 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -7.196 -3.847 -3.890 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -8.337 -2.903 -4.330 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -7.173 1.288 -5.285 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -7.290 2.214 -4.961 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -6.707 1.389 -6.120 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 3.425 -0.399 -5.687 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 3.808 -1.187 -5.250 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 4.160 -0.055 -6.233 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 3.532 -9.051 -1.947 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 4.440 -9.006 -2.340 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 2.950 -9.144 -2.713 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -6.202 -14.105 -2.531 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -5.863 -15.013 -2.398 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -5.703 -13.776 -3.289 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 0.828 -1.569 0.383 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 1.050 -2.383 -0.104 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.239 -1.079 -0.228 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -6.181 -0.710 -3.590 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -5.355 -1.037 -4.016 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -6.360 0.142 -4.041 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -5.844 -1.700 -1.004 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -5.992 -1.389 -1.921 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -6.747 -1.896 -0.668 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 1.721 0.382 -2.892 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 2.307 -0.403 -2.802 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 1.724 0.574 -3.846 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -10.409 -0.283 -1.075 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -9.924 0.375 -1.594 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -10.656 -0.973 -1.732 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -5.966 2.906 -1.048 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -6.835 2.464 -0.992 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -5.948 3.494 -0.259 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -8.509 2.136 -0.073 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -9.097 1.468 0.290 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -8.703 2.938 0.454 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 1.621 -6.813 1.401 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 2.165 -7.346 2.015 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 2.105 -5.959 1.338 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -9.113 -4.773 -10.726 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -9.085 -5.555 -10.140 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.751 -5.086 -11.558 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -4.235 -4.831 -8.589 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -5.048 -4.784 -8.031 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -4.498 -4.432 -9.425 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -11.004 -10.207 -5.292 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -10.385 -10.540 -5.982 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -11.887 -10.502 -5.604 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -7.119 -7.319 -5.820 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -8.006 -7.128 -5.443 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.295 -7.989 -6.513 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -9.161 -6.729 -8.761 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -9.043 -5.945 -8.178 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -10.022 -7.109 -8.478 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.240 -6.478 0.157 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -0.452 -5.922 0.105 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -0.891 -7.391 0.107 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 3.811 7.262 1.706 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.553 7.892 1.572 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 4.206 6.380 1.494 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -6.492 3.630 3.808 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -7.273 4.186 3.999 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -6.555 2.901 4.453 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -4.556 -7.821 -4.819 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -5.463 -7.567 -5.095 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -3.976 -7.375 -5.472 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -11.426 -7.994 -7.744 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -11.221 -8.906 -7.486 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -11.860 -7.613 -6.950 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -11.299 -3.088 -7.489 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -11.495 -3.433 -8.400 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -11.021 -2.177 -7.639 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -10.317 -4.182 -0.187 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -10.335 -4.843 0.530 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -11.268 -4.006 -0.369 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -1.252 -0.713 -4.494 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -0.917 -1.570 -4.781 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -0.603 -0.070 -4.857 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -5.039 4.626 -2.942 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -4.408 4.118 -3.460 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -5.347 3.995 -2.248 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -0.626 -0.283 -1.716 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 0.221 0.076 -2.064 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -1.128 -0.512 -2.517 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 2.552 3.384 1.158 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 1.906 2.762 1.550 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 2.001 4.122 0.828 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -3.054 -6.508 -6.748 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -2.337 -6.991 -7.174 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -3.470 -6.000 -7.480 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 2.039 -10.765 -0.224 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 2.640 -10.322 -0.850 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 2.499 -11.592 0.008 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 2.249 -3.777 -0.758 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 2.594 -3.990 0.137 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 2.550 -4.529 -1.312 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 6.281 2.681 -6.227 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 6.776 2.023 -5.703 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 5.764 2.146 -6.845 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -9.074 4.451 1.479 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -9.014 4.687 2.431 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -9.582 5.172 1.088 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -11.902 -1.756 5.117 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -11.845 -0.823 4.858 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -11.054 -2.142 4.806 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -0.235 -6.293 3.412 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 0.079 -6.440 2.505 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 0.586 -6.197 3.932 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -3.501 -6.424 1.675 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -2.663 -6.375 1.162 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -3.285 -7.002 2.430 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -1.280 -12.243 6.312 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -1.677 -12.986 6.783 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -0.438 -12.066 6.809 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 6.360 4.044 -2.563 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 6.635 4.381 -3.444 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 6.440 4.807 -1.983 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 3.260 -1.731 -2.192 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.788 -2.427 -1.682 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 3.978 -1.438 -1.587 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 2.517 1.020 -0.362 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 2.300 0.922 -1.313 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 2.763 1.956 -0.269 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -10.626 -2.273 -3.012 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -10.093 -1.757 -3.660 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -10.041 -3.002 -2.757 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 5.963 -8.824 -3.114 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 6.636 -9.489 -3.303 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 6.348 -7.999 -3.433 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 3.506 -6.069 -1.797 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 4.247 -5.964 -1.165 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 3.393 -7.027 -1.869 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 5.300 -9.134 4.729 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 4.937 -9.460 5.592 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.646 -9.930 4.304 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -9.776 -5.458 -2.582 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -9.110 -4.886 -3.033 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -9.914 -5.027 -1.716 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 3.426 -8.158 3.041 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 4.075 -8.512 3.695 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 3.854 -8.326 2.169 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -13.408 -11.142 -6.263 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -14.182 -10.541 -6.348 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -13.699 -11.969 -6.711 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -6.308 4.319 1.219 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -7.269 4.475 1.168 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -6.147 4.146 2.170 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -7.204 3.919 -4.569 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -7.742 4.678 -4.813 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -6.533 4.288 -3.959 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -1.592 4.489 0.410 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -2.134 5.003 -0.237 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -0.671 4.768 0.227 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -1.165 6.437 2.937 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -0.307 6.833 2.667 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -1.478 5.982 2.137 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 1.000 5.460 0.182 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 1.490 5.756 -0.596 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 1.018 6.233 0.787 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 7.158 4.932 -5.043 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 7.460 5.495 -5.761 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 6.796 4.135 -5.497 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -8.282 -9.365 -3.472 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -8.646 -9.533 -4.348 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -7.373 -9.723 -3.517 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -9.372 -10.965 -7.314 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -9.076 -11.809 -7.721 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -8.683 -10.319 -7.570 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -4.897 -12.999 -7.752 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -5.568 -13.653 -8.037 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -5.152 -12.187 -8.204 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -5.590 -10.189 -3.853 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -5.170 -10.972 -4.288 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -5.186 -9.421 -4.307 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 0.674 -9.486 6.402 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 0.922 -10.282 6.932 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 0.980 -9.699 5.499 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -3.100 -0.549 13.725 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -3.153 -1.514 13.601 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -2.873 -0.447 14.674 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -0.631 -3.207 13.051 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -1.581 -3.271 13.285 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -0.193 -3.843 13.652 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 0.463 -1.817 16.267 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 0.894 -1.524 17.103 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 0.149 -2.725 16.469 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -3.235 -3.493 14.027 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -3.142 -3.860 14.929 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -4.033 -3.926 13.680 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -11.249 -7.048 10.605 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -11.436 -6.104 10.596 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -11.272 -7.303 9.659 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -0.805 3.336 14.531 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.062 2.775 14.213 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -0.712 4.163 14.029 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -2.110 -0.792 16.332 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -1.996 -0.276 17.148 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -1.215 -1.144 16.145 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -0.810 -6.358 12.840 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -0.521 -5.938 13.671 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 0.022 -6.561 12.378 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -5.553 -10.822 10.123 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -4.982 -10.487 9.399 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -6.449 -10.875 9.718 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 1.196 -6.730 6.964 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 1.599 -6.471 6.112 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 1.023 -7.688 6.867 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -10.759 -9.009 12.452 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -10.706 -9.743 11.803 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -10.923 -8.215 11.893 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -3.110 -3.509 10.308 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.924 -4.454 10.509 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -3.786 -3.257 10.963 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -7.908 -8.039 17.708 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -8.726 -8.326 18.166 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -8.063 -8.276 16.777 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -6.878 -7.541 13.884 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -7.436 -8.113 14.456 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -7.274 -7.629 13.007 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -8.706 -2.582 7.946 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -9.200 -1.943 7.419 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -8.341 -2.046 8.693 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 0.320 2.051 19.096 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -0.156 2.728 18.556 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 1.234 2.116 18.796 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -0.011 3.299 11.455 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 0.477 2.648 12.005 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 0.684 3.699 10.874 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 1.107 1.706 13.346 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 2.061 1.745 13.124 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 0.930 0.746 13.482 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 5.501 -2.204 22.857 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 6.347 -1.992 23.261 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 5.609 -1.946 21.924 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 3.509 -6.020 14.355 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 3.841 -6.626 15.059 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 4.297 -5.514 14.092 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -2.892 -6.162 11.049 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -2.785 -7.052 10.695 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -2.245 -6.123 11.793 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -0.824 -2.811 8.859 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -1.650 -2.908 9.382 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -0.137 -3.202 9.435 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -2.652 2.052 12.805 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -2.794 1.131 13.109 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -2.065 2.437 13.481 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -0.838 3.744 17.322 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -0.717 4.720 17.318 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.899 3.508 16.370 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -7.615 -0.829 9.684 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.358 -1.085 10.575 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -7.325 0.107 9.611 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.347 4.649 4.773 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -1.827 5.220 4.174 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -3.025 5.250 5.147 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -5.546 -6.869 18.381 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.416 -7.292 18.181 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -5.446 -6.970 19.353 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -5.514 -2.905 11.787 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -5.753 -3.544 11.074 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -5.740 -3.380 12.612 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 2.328 -4.888 8.742 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 1.908 -5.575 8.180 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 1.651 -4.687 9.422 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -8.493 -9.347 15.305 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -8.241 -10.109 15.872 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -9.442 -9.485 15.127 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -12.172 -13.461 16.725 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -11.661 -14.013 17.342 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -12.776 -12.950 17.306 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -10.328 -9.834 7.726 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -10.802 -10.175 6.944 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -10.605 -8.895 7.781 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -0.619 -4.253 16.946 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -1.578 -4.349 16.771 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -0.411 -5.002 17.547 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -5.918 -4.777 13.890 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -6.104 -5.733 13.792 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -6.372 -4.532 14.703 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -5.819 -5.049 10.170 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -5.076 -5.660 10.299 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -6.505 -5.589 9.768 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -0.668 -7.915 16.078 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -1.633 -7.886 15.986 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.490 -7.402 16.894 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -8.178 -11.025 9.287 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -8.888 -11.177 9.935 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -8.626 -10.576 8.550 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -3.291 -4.823 16.528 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -3.218 -5.796 16.446 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -4.051 -4.694 17.111 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 0.989 -1.000 18.791 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 1.467 -0.665 19.570 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 0.068 -0.740 18.948 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -2.803 -7.953 3.946 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -2.822 -8.487 4.767 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -2.009 -8.287 3.468 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 0.465 -1.259 6.651 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 1.415 -1.449 6.828 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 0.020 -1.503 7.481 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -4.634 -0.367 11.204 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -5.012 -1.247 11.431 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -4.030 -0.174 11.943 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -4.028 -4.121 20.581 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -3.598 -3.542 19.915 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -4.840 -3.620 20.849 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 6.182 -0.367 7.587 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 6.617 0.481 7.812 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 5.403 -0.398 8.183 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 0.879 -1.003 13.644 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 0.886 -1.237 14.600 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 0.285 -1.676 13.241 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -9.769 -3.137 4.172 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -8.921 -3.453 3.802 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -10.307 -3.946 4.244 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -5.608 5.355 16.340 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -6.249 5.666 16.983 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -4.756 5.341 16.836 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -1.633 0.143 18.946 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -0.944 0.851 18.963 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -2.398 0.551 19.373 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -7.564 -11.263 17.083 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.275 -10.651 17.779 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.178 -11.888 17.551 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -6.238 -2.396 6.691 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -7.103 -2.543 7.125 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -5.666 -2.052 7.412 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -2.138 -9.672 6.053 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -1.251 -9.313 6.263 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -1.995 -10.645 6.018 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 0.473 -6.166 21.034 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 1.414 -6.391 21.119 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 0.464 -5.185 20.981 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -4.129 -9.698 8.009 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -4.778 -9.272 7.446 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -3.319 -9.732 7.459 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.650 -4.309 10.831 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 0.175 -3.834 11.547 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 1.090 -5.052 11.292 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -8.072 6.582 8.075 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -8.647 5.984 7.552 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -8.554 7.414 8.096 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -4.451 -1.703 8.686 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -3.944 -2.418 9.121 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -4.633 -1.071 9.406 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -6.394 -3.035 21.299 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -7.022 -2.469 21.755 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -6.930 -3.811 21.015 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 0.759 -5.043 14.700 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 0.483 -4.788 15.604 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 1.706 -5.265 14.792 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -7.627 -5.318 20.412 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -8.177 -6.111 20.580 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -7.211 -5.497 19.560 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -0.381 -3.523 20.910 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -0.953 -3.223 20.185 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -1.007 -3.845 21.595 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -3.402 -7.626 16.911 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -2.996 -8.247 17.530 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -4.230 -7.336 17.370 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -4.703 -9.156 14.884 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -5.310 -8.503 14.498 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -4.150 -8.638 15.490 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -2.649 -2.503 18.793 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -2.326 -1.594 18.942 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -2.754 -2.559 17.830 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -0.082 -6.529 18.373 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 0.861 -6.695 18.104 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -0.039 -6.460 19.349 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -8.725 -7.823 20.870 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -8.119 -8.595 20.901 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -9.481 -8.135 20.345 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -7.781 -7.014 23.349 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -7.188 -6.277 23.165 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -8.183 -7.221 22.481 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -3.734 8.138 8.655 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -4.463 7.539 8.905 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -3.418 8.503 9.510 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -9.849 2.571 5.496 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -9.110 1.974 5.668 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -10.396 2.092 4.851 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 4.152 -0.105 9.418 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 3.776 -0.509 10.226 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 4.338 0.820 9.679 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 3.371 -4.750 1.505 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 3.738 -4.609 2.402 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 4.093 -5.213 1.022 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 3.072 -0.772 11.952 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 3.294 0.139 12.233 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 2.245 -0.978 12.440 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 6.136 -1.554 20.101 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 6.914 -1.006 20.239 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 6.073 -1.637 19.117 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 5.356 -5.903 21.461 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 4.995 -5.082 21.061 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 5.226 -5.781 22.406 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 2.337 -6.073 4.508 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 3.021 -5.379 4.462 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 2.757 -6.851 4.086 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 3.021 -1.810 7.437 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 3.433 -1.231 8.108 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 3.119 -2.702 7.803 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 1.924 -6.466 12.164 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 2.489 -7.132 11.719 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 2.492 -6.117 12.889 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -9.310 -10.112 23.112 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -8.474 -10.005 22.616 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -9.145 -9.644 23.959 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 7.580 -13.480 22.066 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 7.331 -13.481 21.110 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 8.381 -12.911 22.102 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 4.320 -10.233 7.003 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 4.186 -9.868 7.886 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 3.917 -11.128 7.052 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -11.369 -9.111 15.060 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -11.184 -9.092 14.085 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -11.289 -8.189 15.334 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 6.766 -13.853 19.465 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 6.397 -14.755 19.455 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 6.632 -13.531 18.548 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 4.762 -4.607 3.885 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 5.263 -5.447 3.987 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 5.352 -3.939 4.276 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -10.748 -10.778 10.369 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -11.712 -10.989 10.400 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -10.614 -10.427 9.466 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 1.557 4.890 9.971 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 2.475 4.949 9.631 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 1.229 5.803 9.932 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -0.775 6.507 17.233 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -0.496 6.734 16.313 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -0.512 7.275 17.753 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -3.248 5.270 17.662 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -2.584 5.965 17.501 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -2.721 4.468 17.787 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.335 1.561 10.153 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -6.278 2.424 10.608 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -5.694 0.994 10.630 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.950 4.647 13.806 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.459 3.845 14.025 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.292 4.967 14.680 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -11.025 -13.103 4.692 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -11.345 -12.250 5.058 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -11.792 -13.452 4.199 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -10.753 0.420 3.450 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -11.298 0.225 2.660 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -10.013 -0.193 3.384 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 4.956 2.454 10.202 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 5.751 2.343 9.635 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 4.612 3.344 9.957 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -9.281 -12.937 18.297 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -9.607 -13.856 18.191 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.865 -12.558 18.987 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -7.017 -9.902 21.546 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -6.882 -10.862 21.721 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -6.249 -9.478 21.953 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -9.877 5.104 6.542 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -10.785 5.255 6.828 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -9.864 4.152 6.278 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -1.014 -6.676 25.169 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -0.256 -6.058 25.148 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -1.772 -6.117 25.446 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -2.939 -16.244 33.086 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -3.518 -15.461 33.010 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -2.243 -15.964 33.708 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 1.655 0.267 21.211 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 1.118 1.015 20.898 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 2.173 0.636 21.938 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.215 -3.603 23.727 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 4.100 -3.187 23.684 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 2.749 -3.241 22.945 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 3.815 -14.943 26.830 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 3.844 -15.202 25.880 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 2.865 -14.950 27.050 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 2.093 -2.487 21.489 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 1.988 -1.517 21.428 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 1.206 -2.838 21.253 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -1.054 -3.639 26.086 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -0.808 -2.785 26.454 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -0.202 -4.034 25.802 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -6.073 -8.049 28.875 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -6.705 -8.624 28.376 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.456 -7.993 29.757 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -4.855 -6.718 21.063 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -4.627 -5.795 20.819 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -4.697 -6.756 22.029 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 1.249 -4.935 25.187 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 1.839 -5.536 25.658 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 1.856 -4.403 24.620 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 0.436 -9.200 23.739 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 1.222 -9.187 24.342 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -0.281 -9.570 24.290 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -4.558 -5.827 27.985 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -4.607 -5.278 28.773 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -5.126 -6.597 28.194 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -1.389 -8.776 27.034 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -1.152 -7.943 26.585 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -1.646 -9.372 26.301 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -4.114 -6.953 23.726 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.451 -7.788 24.116 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -3.995 -6.357 24.498 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -4.416 -13.856 33.173 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -5.215 -13.859 32.588 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -3.849 -13.177 32.792 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -3.261 -5.209 25.678 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -2.650 -4.478 25.922 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -3.762 -5.392 26.510 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -2.233 -4.797 22.508 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -2.946 -4.576 21.865 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -2.642 -4.650 23.376 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 4.324 -3.660 20.275 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 3.507 -3.276 20.660 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 4.937 -2.899 20.208 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 3.516 -8.886 19.332 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 4.425 -8.566 19.504 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 3.192 -9.183 20.211 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 2.458 -6.950 17.733 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 3.204 -6.320 17.658 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 2.851 -7.733 18.182 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 2.593 -9.362 25.357 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 2.444 -9.816 26.218 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 3.550 -9.350 25.262 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 2.333 -10.612 27.759 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 1.718 -10.190 28.387 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 2.834 -11.259 28.310 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 2.119 -9.711 21.580 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 1.596 -9.538 22.384 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 2.085 -10.683 21.477 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -0.369 -11.034 31.587 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -0.460 -10.286 32.186 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -0.264 -10.619 30.697 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 3.336 -12.752 29.144 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 3.481 -13.160 30.020 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 3.799 -13.341 28.529 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -12.091 -9.589 25.781 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -12.101 -10.561 25.926 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -12.085 -9.220 26.669 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -8.913 -8.499 25.323 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -8.384 -7.908 24.730 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -9.750 -8.033 25.435 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -4.151 -9.074 27.136 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -3.245 -8.894 27.445 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.722 -8.735 27.852 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -0.152 -10.201 28.997 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -0.621 -9.549 28.425 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -0.219 -11.041 28.502 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 0.365 -12.634 27.664 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 1.137 -12.071 27.456 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 0.704 -13.549 27.561 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -4.798 -9.513 24.592 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -5.616 -10.057 24.580 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.644 -9.337 25.556 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -2.067 -10.161 24.738 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -2.043 -11.107 24.491 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -3.020 -9.931 24.709 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -3.169 5.953 -1.324 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -3.410 6.895 -1.211 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -3.864 5.601 -1.915 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -3.018 10.628 -2.487 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -2.300 10.577 -3.123 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -3.039 9.747 -2.075 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -5.444 10.889 -1.290 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -5.970 11.673 -1.465 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -4.600 11.053 -1.766 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 4.907 4.807 1.333 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 4.153 4.187 1.256 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 5.637 4.257 1.654 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 5.999 8.878 2.104 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 6.773 9.446 2.141 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 5.976 8.443 2.977 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -4.112 8.522 -0.790 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -4.694 9.284 -1.007 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -4.453 8.199 0.049 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 1.126 7.632 1.878 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 1.053 8.589 1.790 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 2.102 7.468 1.914 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -3.297 6.692 12.797 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -3.973 6.110 13.196 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -2.466 6.199 12.902 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 4.253 4.948 9.281 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 4.910 4.905 8.553 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 4.404 5.835 9.681 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -1.578 6.941 7.609 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -2.344 7.453 7.964 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -1.534 7.206 6.670 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -2.598 8.693 11.097 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -2.620 9.581 11.521 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -2.964 8.088 11.785 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -4.176 6.070 6.326 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -4.741 6.259 7.100 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -3.799 6.937 6.088 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -6.115 4.125 11.382 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -7.009 4.418 11.590 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -5.602 4.324 12.200 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -8.606 5.375 4.065 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -9.101 5.301 4.910 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -8.088 6.184 4.165 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 5.099 7.247 4.218 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 5.214 6.280 4.393 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 4.416 7.279 3.522 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 0.099 7.130 14.741 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -0.240 6.583 14.003 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 0.629 7.806 14.309 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -0.576 7.064 10.232 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -1.228 7.745 10.518 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -0.697 7.016 9.261 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -5.536 6.048 8.884 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -5.667 5.522 9.690 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -6.452 6.254 8.580 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -0.715 5.620 12.585 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -0.458 4.751 12.203 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -0.650 6.240 11.822 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -2.271 7.851 5.048 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -1.888 7.413 4.256 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -2.325 8.781 4.801 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -2.544 11.224 12.156 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -2.096 11.893 11.628 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -3.007 11.725 12.834 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 7.231 -28.969 -0.578 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 6.466 -29.455 -0.206 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 7.635 -29.592 -1.187 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 5.145 -33.652 10.267 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 5.248 -33.585 11.231 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 4.238 -33.343 10.103 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 7.715 -30.746 12.140 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 7.724 -30.905 11.170 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 7.777 -31.642 12.530 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 5.028 -32.562 15.718 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.964 -32.456 16.692 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.217 -31.655 15.389 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 7.818 -31.123 9.321 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 8.170 -31.947 8.923 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 6.996 -30.948 8.808 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 7.050 -31.752 24.848 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 7.439 -32.044 23.999 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 6.083 -31.823 24.700 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 10.139 -31.708 23.439 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 10.981 -31.466 23.021 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 10.235 -31.396 24.355 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 16.811 -27.188 4.225 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 17.126 -27.430 5.099 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 15.884 -26.897 4.375 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 5.586 -30.277 14.340 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 6.450 -30.268 13.897 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 4.952 -30.506 13.618 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 2.875 -32.791 20.239 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 2.386 -33.288 20.929 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 3.620 -32.371 20.736 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 6.756 -34.677 15.823 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 7.419 -34.551 15.130 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 6.218 -33.859 15.789 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 7.445 -33.231 19.559 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 6.539 -33.021 19.245 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 7.828 -33.747 18.843 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 7.665 -33.346 13.129 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 6.687 -33.448 13.154 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 7.949 -33.960 12.444 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 8.443 -28.216 12.634 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 8.233 -29.165 12.454 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 8.191 -28.093 13.575 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 4.033 -30.770 12.237 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 3.886 -30.633 11.277 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 3.445 -31.516 12.465 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 5.162 -28.224 9.134 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 5.060 -28.172 8.156 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 4.666 -29.038 9.376 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 12.410 -29.397 27.848 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 13.247 -29.872 27.863 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 11.897 -29.793 28.595 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 9.963 -34.833 32.150 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 10.875 -34.675 32.414 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 9.548 -35.201 32.935 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 11.144 -30.795 29.780 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 10.489 -31.494 29.615 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 11.191 -30.744 30.754 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 10.901 -29.998 25.604 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 10.059 -29.529 25.722 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 11.405 -29.801 26.426 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 9.206 -32.640 30.676 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 9.635 -32.077 31.358 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 9.375 -33.555 30.988 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 12.522 -30.010 23.338 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 13.432 -29.723 23.588 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 12.026 -29.988 24.182 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 5.602 -25.879 26.694 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 5.254 -26.692 27.094 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 5.143 -25.827 25.827 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 6.814 -29.509 30.988 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 5.883 -29.192 31.029 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 6.773 -30.292 30.408 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.614 -31.144 32.500 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 9.800 -30.673 32.794 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 11.339 -30.676 32.971 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 12.138 -29.261 33.736 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 11.505 -28.575 33.430 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 12.630 -28.830 34.437 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 7.136 -28.986 35.436 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 7.326 -29.112 36.368 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 6.883 -28.037 35.368 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.831 -31.936 29.602 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.333 -32.660 29.995 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 7.763 -32.110 29.878 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 14.991 -29.044 24.076 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 15.839 -29.527 24.180 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 15.216 -28.123 24.297 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 7.740 -32.225 22.167 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 8.672 -32.198 22.482 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 7.796 -32.652 21.282 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 7.344 -21.687 1.132 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 8.063 -22.265 1.470 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 6.551 -21.973 1.637 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.089 -21.994 4.566 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 7.144 -21.712 4.576 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 8.571 -21.205 4.840 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 7.999 -17.821 3.148 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 7.869 -16.870 3.210 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 7.346 -18.194 3.783 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 6.435 -18.244 -1.007 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 7.063 -18.556 -0.315 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 6.973 -17.689 -1.577 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 10.674 -20.319 0.111 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 9.832 -19.875 0.342 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 11.102 -19.713 -0.495 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 9.037 -23.386 2.431 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.762 -22.927 3.257 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 9.123 -24.327 2.696 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 8.269 -19.156 0.775 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 7.905 -20.055 0.956 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.253 -18.709 1.654 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 5.251 -22.633 2.649 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 4.629 -23.324 2.991 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 5.302 -21.976 3.382 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 8.806 -25.950 3.398 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 9.036 -26.564 4.127 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 8.353 -26.525 2.734 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 4.603 -8.716 0.651 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 4.748 -9.600 1.061 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 4.241 -8.917 -0.232 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 11.476 -22.549 1.471 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 10.608 -22.913 1.736 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 11.248 -21.760 0.930 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 13.836 -22.706 2.725 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 14.227 -21.856 2.431 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 12.966 -22.745 2.255 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 9.190 -27.206 5.893 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 9.146 -28.037 6.406 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.719 -26.561 6.451 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 16.523 -23.191 3.217 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 17.011 -23.961 2.842 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 15.606 -23.314 2.900 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 14.276 -26.246 4.692 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 13.451 -26.605 5.101 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 13.958 -25.704 3.958 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 6.599 -22.575 -1.415 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 6.007 -23.258 -1.045 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 7.069 -22.223 -0.635 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 4.696 -23.794 0.159 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 4.798 -23.301 0.999 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 3.935 -23.360 -0.284 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 4.631 -26.129 1.524 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 3.959 -25.681 2.090 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 4.753 -25.507 0.772 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 5.333 -15.967 4.418 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 5.354 -15.647 5.342 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 5.503 -16.936 4.494 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 7.153 -27.296 1.661 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 6.251 -26.929 1.557 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 7.308 -27.792 0.829 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 5.209 -30.131 0.839 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 5.290 -29.533 1.596 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 4.256 -30.080 0.594 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 5.325 -22.656 14.899 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 5.588 -23.292 15.599 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 6.056 -22.700 14.246 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.223 -20.476 10.089 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 8.025 -20.849 10.507 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 7.370 -20.599 9.137 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.623 -24.324 8.119 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 11.414 -23.798 8.352 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 10.907 -25.253 8.256 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 7.594 -27.761 15.283 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 8.145 -27.292 15.952 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 6.885 -28.187 15.817 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 10.859 -22.397 13.832 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 11.140 -22.225 14.750 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.620 -23.347 13.825 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 9.109 -26.351 17.033 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 8.798 -25.688 17.684 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 9.953 -25.983 16.701 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 12.160 -21.435 16.250 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 12.278 -20.706 15.603 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 12.014 -20.974 17.102 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 7.197 -22.712 12.843 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 7.510 -23.618 13.037 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 7.952 -22.292 12.373 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.714 -18.403 16.626 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 11.161 -18.673 15.799 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 9.775 -18.317 16.372 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 6.548 -17.517 7.130 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 6.324 -17.915 6.251 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 5.978 -16.734 7.187 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 9.399 -21.535 11.650 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.088 -21.388 10.967 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 9.910 -21.644 12.483 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 12.329 -19.285 14.485 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 12.962 -18.567 14.377 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 12.299 -19.710 13.595 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 7.862 -21.889 17.374 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.675 -21.870 17.910 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 7.504 -22.779 17.516 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 11.156 -21.764 22.038 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.485 -21.969 21.366 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 11.681 -21.042 21.639 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 14.934 -20.297 10.186 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 14.661 -20.419 9.248 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 15.875 -20.492 10.183 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 6.444 -20.325 15.672 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 7.044 -20.794 16.300 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 5.743 -20.982 15.486 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 5.592 -20.454 12.862 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 5.889 -20.252 13.766 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 6.078 -21.274 12.630 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.675 -12.049 12.511 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.512 -11.855 12.950 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.896 -12.069 11.572 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 7.935 -18.090 16.145 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 7.884 -18.002 17.130 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 7.487 -18.946 15.960 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 10.323 -25.045 13.441 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 10.572 -25.585 12.661 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.347 -25.152 13.502 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 17.473 -25.512 2.190 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 17.312 -26.129 2.939 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 17.769 -26.082 1.477 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 8.526 -24.412 18.954 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 8.657 -24.581 19.910 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 9.094 -23.634 18.776 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 12.845 -22.972 11.726 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 13.112 -22.043 11.833 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.129 -23.084 12.369 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 15.102 -23.732 20.810 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 15.567 -24.461 21.261 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 15.019 -24.042 19.891 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.971 -26.943 5.946 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.038 -27.062 5.690 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.953 -26.967 6.918 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 10.683 -27.045 11.500 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 11.358 -27.701 11.709 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.847 -27.445 11.835 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 13.008 -23.156 8.902 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.583 -23.797 8.419 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 13.171 -23.350 9.853 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 14.820 -22.512 5.319 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 15.689 -22.667 4.903 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 14.195 -22.518 4.565 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 7.734 -17.890 18.837 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 7.825 -18.504 19.572 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.002 -17.294 19.111 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 7.590 -25.375 13.561 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 6.858 -25.560 12.942 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 7.527 -26.089 14.227 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.521 -25.711 15.831 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.244 -25.419 14.936 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 12.213 -25.064 16.094 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 14.381 -21.352 21.942 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 14.689 -22.149 21.449 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 14.666 -21.519 22.862 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 11.343 -21.074 9.747 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 11.995 -21.746 9.467 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.678 -21.068 9.017 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 12.817 -20.137 11.909 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 13.651 -20.072 11.389 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 12.123 -20.252 11.228 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.234 -15.349 15.678 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 8.056 -16.311 15.755 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.958 -15.195 16.297 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 8.205 -25.524 8.118 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.054 -25.074 8.324 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 8.043 -26.102 8.893 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.060 -26.952 8.711 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.971 -26.890 9.685 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.452 -27.681 8.462 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 11.899 -24.505 19.368 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 12.093 -25.446 19.167 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 12.040 -24.437 20.338 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 9.451 -21.496 7.875 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 9.521 -22.419 7.586 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 8.632 -21.167 7.446 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 5.134 -14.907 6.966 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 5.812 -14.432 7.460 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 4.351 -14.320 7.017 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 5.879 -17.628 14.152 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 6.687 -17.836 14.652 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 5.240 -17.386 14.829 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.525 -16.644 8.611 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.798 -16.998 8.078 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 10.301 -17.133 8.311 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 11.649 -20.048 18.586 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 11.991 -19.641 19.408 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 11.324 -19.285 18.052 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 14.321 -21.063 7.622 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 13.754 -21.764 7.992 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 14.546 -21.387 6.726 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 10.243 -22.338 18.923 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 10.917 -23.044 19.040 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.774 -21.522 18.773 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 15.693 -20.682 2.406 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 16.218 -21.473 2.645 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 16.241 -19.944 2.676 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 11.255 -28.228 16.836 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.482 -27.434 16.301 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.299 -28.138 16.994 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 13.171 -23.876 17.002 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 12.704 -23.921 17.863 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.964 -22.976 16.663 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 16.337 -26.267 20.845 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 16.048 -26.055 19.936 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 15.993 -27.151 21.003 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 12.470 -30.533 17.765 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 13.327 -30.485 17.333 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 11.974 -29.766 17.403 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 12.771 -27.126 18.891 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.261 -27.527 18.156 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 12.753 -27.814 19.596 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 14.922 -25.425 18.532 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 14.228 -26.106 18.656 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 14.577 -24.866 17.809 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 27.593 -27.159 30.036 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 27.463 -26.432 30.645 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 27.404 -27.942 30.553 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.060 -31.823 19.732 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 11.602 -31.383 19.035 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.114 -32.758 19.517 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 9.689 -29.927 21.039 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 10.080 -30.717 20.593 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 8.751 -30.145 21.122 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 7.124 -20.309 7.026 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 6.966 -19.361 7.206 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 6.528 -20.508 6.263 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 3.234 -11.147 9.643 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 3.368 -11.786 8.911 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 2.280 -10.977 9.629 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 5.589 -16.411 19.770 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 5.604 -16.212 20.733 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 4.670 -16.643 19.591 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 4.387 -12.589 14.666 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 3.577 -13.081 14.901 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 4.398 -12.601 13.681 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 8.554 -14.805 12.956 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 8.431 -15.038 13.899 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 8.387 -13.846 12.923 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.446 -16.835 11.144 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 8.970 -16.666 10.332 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.616 -16.050 11.711 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 7.611 -27.435 10.023 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 6.701 -27.749 9.810 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 7.739 -27.686 10.960 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.104 -28.822 8.190 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.901 -29.742 8.443 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.516 -28.286 8.762 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 3.198 -12.044 4.422 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 3.184 -12.984 4.129 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 3.265 -12.101 5.398 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 14.447 -24.613 7.059 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 14.598 -23.822 6.501 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 14.450 -25.350 6.426 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 4.932 -32.040 21.871 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 5.906 -31.968 21.891 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 4.652 -31.750 22.766 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 4.456 -11.052 2.115 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 4.166 -11.798 1.556 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 4.096 -11.268 2.996 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 8.008 -21.019 36.849 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 8.053 -20.275 36.195 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 8.490 -20.686 37.613 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 8.284 -17.904 32.693 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.539 -18.708 32.204 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 8.590 -17.180 32.131 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 4.726 -23.870 30.792 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 4.888 -24.752 30.436 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 5.619 -23.524 30.985 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 20.280 -25.340 24.098 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 19.962 -24.897 23.301 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 21.076 -24.854 24.339 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.470 -23.172 30.869 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 8.433 -23.089 30.988 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.374 -23.738 30.065 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.468 -21.811 28.713 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 10.331 -22.142 29.625 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.194 -22.347 28.376 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 12.290 -23.168 33.164 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 12.186 -22.996 34.103 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 13.149 -23.643 33.103 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.665 -25.253 33.712 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.892 -25.013 32.796 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 8.396 -24.405 34.124 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 5.613 -17.967 27.447 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 5.632 -17.004 27.348 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 6.374 -18.277 26.913 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 10.140 -27.514 33.030 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 9.652 -26.815 33.511 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 9.514 -28.276 33.014 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 16.107 -21.448 26.860 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 16.385 -20.567 27.195 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 16.692 -22.062 27.307 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 14.687 -22.098 24.604 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 15.188 -21.794 25.396 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 13.755 -21.878 24.809 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 10.304 -22.842 31.275 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 11.040 -22.757 31.927 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 10.214 -23.816 31.150 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 17.258 -19.237 28.006 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 17.427 -19.095 28.943 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 17.766 -18.547 27.565 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.092 -20.483 26.299 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 10.573 -19.652 26.496 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 10.058 -20.950 27.163 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 7.991 -18.805 35.329 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 8.205 -18.489 34.429 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 7.160 -18.324 35.557 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 7.297 -16.459 30.186 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 6.864 -16.159 31.012 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 6.890 -15.893 29.483 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 6.624 -26.337 35.227 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.269 -25.999 34.573 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 5.751 -26.121 34.840 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 12.347 -29.056 20.764 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 12.706 -29.631 21.472 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.461 -29.428 20.583 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 7.556 -23.274 35.325 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 7.425 -23.957 35.997 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 7.801 -22.471 35.841 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 14.565 -24.735 23.704 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 14.919 -23.856 23.957 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 15.241 -25.369 24.026 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 17.375 -24.498 34.082 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 18.021 -24.026 33.548 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 17.889 -24.872 34.804 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.081 -24.839 28.777 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.807 -25.500 28.769 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 6.498 -25.119 28.042 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.321 -24.493 25.247 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.141 -24.654 24.729 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.172 -23.527 25.161 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 14.675 -24.588 33.443 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 15.602 -24.411 33.712 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 14.642 -25.541 33.329 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 17.631 -29.773 24.515 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 18.339 -30.410 24.388 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 18.093 -28.928 24.681 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 18.855 -27.367 25.199 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 19.444 -27.539 25.942 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 19.329 -26.677 24.674 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 9.166 -20.087 30.861 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 9.404 -20.930 31.286 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 9.675 -20.086 30.034 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 9.173 -17.562 28.357 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 8.542 -17.781 27.644 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 8.627 -17.104 29.026 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 16.164 -26.616 25.019 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 16.049 -26.545 25.972 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 17.109 -26.854 24.909 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 9.852 -25.514 31.101 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 10.172 -26.258 31.655 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 9.521 -25.948 30.287 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 10.355 -18.020 23.902 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 10.663 -18.013 24.833 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 10.923 -18.666 23.469 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 8.444 -29.639 33.133 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 7.877 -29.526 33.932 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 7.810 -29.579 32.376 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 6.103 -15.032 28.253 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 5.242 -14.932 27.791 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 6.769 -14.970 27.529 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 12.680 -19.439 21.119 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 13.381 -20.106 21.346 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.113 -18.590 21.251 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 11.920 -21.814 24.681 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 11.627 -21.721 23.747 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 11.232 -21.340 25.197 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 12.305 -24.334 22.110 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 13.243 -24.315 22.402 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 12.008 -23.405 22.195 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.943 -18.671 26.075 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 8.511 -19.467 26.066 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.995 -18.332 25.171 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 4.244 -13.870 31.690 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 4.982 -13.254 31.768 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 4.658 -14.749 31.789 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 6.018 -16.011 32.604 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 5.682 -15.658 33.457 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.487 -16.830 32.856 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 6.658 -19.141 30.222 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.801 -18.172 30.174 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.563 -19.512 30.275 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 9.148 -26.606 28.639 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.015 -27.562 28.599 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 9.992 -26.456 28.144 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 5.254 -21.916 34.573 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 5.439 -21.500 33.699 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 6.038 -22.480 34.735 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 11.437 -26.244 27.248 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 11.810 -25.665 26.550 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.063 -26.979 27.308 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.518 -15.161 25.981 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 7.080 -14.392 25.553 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 7.847 -15.691 25.232 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.177 -17.959 26.570 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 10.466 -17.735 27.220 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 11.906 -17.376 26.810 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 5.328 -1.329 -0.483 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 5.376 -0.423 -0.112 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 5.423 -1.905 0.295 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 6.324 -0.695 -3.028 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 5.757 -1.276 -3.578 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 6.146 -0.988 -2.111 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 11.934 -1.815 2.308 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 12.364 -1.063 1.855 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 10.976 -1.654 2.185 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 9.121 -2.166 2.442 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 9.283 -2.972 1.905 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 8.547 -2.480 3.166 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 10.695 0.146 -0.011 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 11.650 0.205 0.189 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 10.661 -0.107 -0.937 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 5.180 0.979 1.045 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 5.259 1.346 0.127 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 5.815 1.516 1.570 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 7.635 0.575 -5.018 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 7.233 0.128 -4.234 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 8.509 0.843 -4.713 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 6.955 2.449 2.487 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 7.721 1.979 2.097 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.106 2.385 3.446 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 13.272 0.257 0.931 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 14.153 0.066 0.583 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 13.382 1.086 1.418 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 8.932 0.557 2.015 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 8.870 -0.405 2.189 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.493 0.614 1.210 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 5.146 -2.182 2.226 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 5.243 -3.125 2.444 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 5.807 -1.741 2.788 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 5.631 1.644 -1.519 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 5.851 1.024 -2.233 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 5.843 2.532 -1.897 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 5.352 4.660 4.976 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 5.350 3.698 4.862 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 5.557 4.787 5.924 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.233 1.234 4.715 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.775 1.096 3.916 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.885 1.297 5.441 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 7.124 -5.657 2.169 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 7.039 -5.946 3.099 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 7.944 -5.126 2.156 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 4.631 -2.436 -4.372 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 4.596 -3.389 -4.504 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 4.018 -2.273 -3.616 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 6.444 -6.610 4.729 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 6.111 -7.533 4.742 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 6.871 -6.498 5.603 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 5.802 0.012 -7.012 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 6.224 -0.507 -7.704 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 6.480 0.070 -6.305 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 4.741 -2.916 11.951 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 4.123 -2.156 12.030 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 4.725 -3.138 10.997 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 7.142 -2.818 8.226 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.016 -1.885 7.943 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 6.260 -3.084 8.550 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 10.449 1.456 9.653 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.683 1.460 10.236 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 11.201 1.342 10.246 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 6.241 -4.284 16.209 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 7.018 -4.851 16.297 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 5.572 -4.698 16.810 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 4.721 -3.779 9.327 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 3.842 -4.182 9.127 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 5.324 -4.547 9.389 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 6.867 -5.477 9.450 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 7.135 -5.979 8.651 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 7.302 -4.613 9.342 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.619 -4.718 1.565 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 10.573 -4.758 1.802 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.478 -5.504 1.024 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 8.440 -5.977 13.999 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.172 -5.485 13.614 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 7.648 -5.455 13.766 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 7.303 -3.318 4.279 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 7.876 -3.655 5.001 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 7.049 -2.414 4.575 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 5.154 -7.596 15.967 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 5.271 -8.111 16.775 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 5.800 -7.976 15.342 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.035 1.437 6.936 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 10.183 1.434 7.908 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 10.597 0.696 6.608 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 8.963 -3.848 6.413 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 9.722 -3.306 6.125 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.528 -3.309 7.111 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 6.483 -0.861 4.879 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 7.027 -0.066 4.685 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 6.196 -0.726 5.809 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 7.992 -6.295 7.055 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 8.776 -6.855 7.038 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 8.326 -5.405 6.784 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 4.334 -12.308 11.933 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 5.109 -11.708 12.005 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 3.888 -12.020 11.115 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 6.804 2.204 8.186 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 6.289 2.357 7.377 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 7.603 2.758 8.065 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.601 -0.668 6.208 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 11.399 -1.499 5.732 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 12.532 -0.747 6.436 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 6.112 -1.754 17.394 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 6.220 -2.646 17.003 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 5.745 -1.226 16.679 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 11.254 -2.995 4.794 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 11.407 -2.518 3.953 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 11.454 -3.917 4.580 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 9.791 -11.808 22.239 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.815 -11.207 22.991 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 10.534 -11.535 21.692 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 4.824 7.524 9.868 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 5.039 7.957 9.030 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 5.021 8.187 10.536 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 3.738 1.818 12.542 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 4.272 2.293 13.188 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 4.156 2.040 11.674 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 4.696 -5.362 18.149 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 5.129 -6.130 18.579 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 4.526 -4.735 18.887 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 5.935 -7.544 19.405 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 6.915 -7.594 19.333 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 5.783 -7.073 20.258 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.645 -7.507 19.161 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.989 -8.021 18.423 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 9.421 -7.090 19.546 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 5.987 -4.708 13.503 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 5.601 -3.962 12.973 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 5.998 -4.366 14.426 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 5.808 -6.821 11.716 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 5.813 -6.031 12.301 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 6.178 -6.492 10.870 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.848 -8.225 13.835 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 7.588 -7.617 14.042 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 6.441 -7.836 13.032 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 6.328 -10.565 12.445 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 6.515 -9.819 13.049 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 7.107 -11.149 12.539 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 12.261 -4.520 2.245 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.160 -4.794 2.032 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 12.294 -3.539 2.214 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 6.318 5.140 7.490 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 7.247 4.835 7.426 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 6.367 6.106 7.300 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 6.335 -13.481 16.700 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 6.916 -14.096 16.214 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 5.757 -13.104 16.011 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 8.866 3.872 7.403 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 9.264 3.065 7.003 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 9.621 4.355 7.757 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 8.263 -16.339 23.571 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 9.037 -16.948 23.624 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 8.558 -15.631 22.981 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 6.249 7.729 6.659 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 5.675 7.627 5.864 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 6.918 8.362 6.384 1.00 0.00 WAT1 END