REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:13 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 21.813 0.626 9.753 1.00 12.21 ATOM 2 CB MET 1 22.532 1.946 8.220 1.00 44.12 ATOM 3 HB1 MET 1 22.178 1.520 7.286 1.00 38.48 ATOM 4 HB2 MET 1 23.476 2.442 8.039 1.00 73.40 ATOM 5 CG MET 1 21.526 2.991 8.674 1.00 73.33 ATOM 6 HG1 MET 1 21.982 3.600 9.441 1.00 38.48 ATOM 7 HG2 MET 1 20.656 2.493 9.081 1.00 44.53 ATOM 8 SD MET 1 20.987 4.066 7.330 1.00 4.45 ATOM 9 CE MET 1 19.891 5.179 8.207 1.00 73.05 ATOM 10 HE1 MET 1 19.480 5.899 7.515 1.00 54.13 ATOM 11 HE2 MET 1 20.444 5.695 8.978 1.00 33.41 ATOM 12 HE3 MET 1 19.088 4.614 8.657 1.00 54.01 ATOM 13 C MET 1 23.168 -0.456 8.512 1.00 12.24 ATOM 14 O MET 1 23.784 -0.404 7.449 1.00 2.10 ATOM 15 N MET 1 23.740 1.212 10.225 1.00 70.44 ATOM 16 HT1 MET 1 24.662 1.400 9.772 1.00 38.48 ATOM 17 HT2 MET 1 23.865 0.454 10.930 1.00 38.48 ATOM 18 HT3 MET 1 23.433 2.074 10.725 1.00 38.48 ATOM 19 CA MET 1 22.744 0.820 9.233 1.00 5.05 ATOM 20 N GLY 2 22.833 -1.601 9.099 1.00 33.11 ATOM 21 HN GLY 2 22.349 -1.586 9.959 1.00 38.48 ATOM 22 CA GLY 2 23.187 -2.874 8.498 1.00 10.33 ATOM 23 HA1 GLY 2 24.155 -3.173 8.871 1.00 38.48 ATOM 24 HA2 GLY 2 23.248 -2.773 7.419 1.00 74.14 ATOM 25 C GLY 2 22.187 -3.966 8.823 1.00 64.24 ATOM 26 O GLY 2 22.349 -4.695 9.802 1.00 10.22 ATOM 27 N HIS 3 21.150 -4.080 7.999 1.00 31.45 ATOM 28 HN HIS 3 21.066 -3.473 7.229 1.00 38.48 ATOM 29 CA HIS 3 20.119 -5.092 8.205 1.00 50.44 ATOM 30 HA HIS 3 19.367 -4.958 7.442 1.00 34.43 ATOM 31 CB HIS 3 20.716 -6.493 8.073 1.00 41.00 ATOM 32 HB1 HIS 3 19.911 -7.211 8.021 1.00 38.48 ATOM 33 HB2 HIS 3 21.328 -6.714 8.937 1.00 12.31 ATOM 34 CG HIS 3 21.566 -6.670 6.852 1.00 10.34 ATOM 35 ND1 HIS 3 21.219 -6.170 5.615 1.00 71.31 ATOM 36 HD1 HIS 3 20.406 -5.663 5.410 1.00 2.15 ATOM 37 CD2 HIS 3 22.755 -7.294 6.685 1.00 42.14 ATOM 38 HD2 HIS 3 23.326 -7.801 7.450 1.00 40.23 ATOM 39 CE1 HIS 3 22.157 -6.481 4.738 1.00 31.22 ATOM 40 HE1 HIS 3 22.153 -6.221 3.690 1.00 33.21 ATOM 41 NE2 HIS 3 23.101 -7.163 5.362 1.00 12.20 ATOM 42 HE2 HIS 3 23.957 -7.433 4.968 1.00 38.48 ATOM 43 C HIS 3 19.465 -4.931 9.574 1.00 41.14 ATOM 44 O HIS 3 18.963 -5.896 10.150 1.00 21.25 ATOM 45 N HIS 4 19.475 -3.706 10.089 1.00 42.41 ATOM 46 HN HIS 4 19.831 -2.953 9.567 1.00 38.48 ATOM 47 CA HIS 4 18.883 -3.419 11.391 1.00 42.33 ATOM 48 HA HIS 4 18.970 -4.306 12.011 1.00 75.24 ATOM 49 CB HIS 4 19.627 -2.269 12.070 1.00 12.45 ATOM 50 HB1 HIS 4 19.326 -1.325 11.632 1.00 38.48 ATOM 51 HB2 HIS 4 20.689 -2.401 11.919 1.00 11.42 ATOM 52 CG HIS 4 19.392 -2.194 13.548 1.00 44.02 ATOM 53 ND1 HIS 4 20.085 -2.963 14.460 1.00 52.45 ATOM 54 HD1 HIS 4 20.781 -3.619 14.245 1.00 14.31 ATOM 55 CD2 HIS 4 18.537 -1.434 14.271 1.00 21.22 ATOM 56 HD2 HIS 4 17.837 -0.709 13.880 1.00 55.33 ATOM 57 CE1 HIS 4 19.664 -2.680 15.680 1.00 63.24 ATOM 58 HE1 HIS 4 20.027 -3.128 16.593 1.00 64.22 ATOM 59 NE2 HIS 4 18.725 -1.755 15.593 1.00 24.20 ATOM 60 HE2 HIS 4 18.179 -1.432 16.340 1.00 38.48 ATOM 61 C HIS 4 17.404 -3.071 11.250 1.00 22.42 ATOM 62 O HIS 4 16.594 -3.397 12.119 1.00 62.12 ATOM 63 N HIS 5 17.059 -2.408 10.151 1.00 12.35 ATOM 64 HN HIS 5 17.746 -2.159 9.490 1.00 38.48 ATOM 65 CA HIS 5 15.677 -2.016 9.898 1.00 51.14 ATOM 66 HA HIS 5 15.148 -1.997 10.844 1.00 64.14 ATOM 67 CB HIS 5 15.627 -0.623 9.270 1.00 52.34 ATOM 68 HB1 HIS 5 15.840 -0.686 8.210 1.00 38.48 ATOM 69 HB2 HIS 5 16.375 0.001 9.739 1.00 24.43 ATOM 70 CG HIS 5 14.306 0.063 9.437 1.00 34.50 ATOM 71 ND1 HIS 5 13.814 0.981 8.533 1.00 23.14 ATOM 72 HD1 HIS 5 14.263 1.273 7.712 1.00 73.02 ATOM 73 CD2 HIS 5 13.371 -0.042 10.410 1.00 31.54 ATOM 74 HD2 HIS 5 13.424 -0.676 11.284 1.00 61.13 ATOM 75 CE1 HIS 5 12.635 1.413 8.945 1.00 64.44 ATOM 76 HE1 HIS 5 12.015 2.137 8.438 1.00 23.10 ATOM 77 NE2 HIS 5 12.343 0.807 10.081 1.00 20.42 ATOM 78 HE2 HIS 5 11.570 1.012 10.648 1.00 38.48 ATOM 79 C HIS 5 14.986 -3.024 8.984 1.00 15.33 ATOM 80 O HIS 5 13.766 -3.185 9.032 1.00 54.15 ATOM 81 N HIS 6 15.773 -3.699 8.153 1.00 32.31 ATOM 82 HN HIS 6 16.740 -3.531 8.135 1.00 38.48 ATOM 83 CA HIS 6 15.236 -4.692 7.229 1.00 50.55 ATOM 84 HA HIS 6 14.157 -4.733 7.330 1.00 54.44 ATOM 85 CB HIS 6 15.580 -4.315 5.787 1.00 21.11 ATOM 86 HB1 HIS 6 15.452 -5.175 5.140 1.00 38.48 ATOM 87 HB2 HIS 6 16.609 -3.991 5.739 1.00 63.30 ATOM 88 CG HIS 6 14.721 -3.221 5.233 1.00 43.54 ATOM 89 ND1 HIS 6 13.347 -3.308 5.156 1.00 44.34 ATOM 90 HD1 HIS 6 12.804 -4.071 5.446 1.00 44.24 ATOM 91 CD2 HIS 6 15.049 -2.008 4.728 1.00 72.14 ATOM 92 HD2 HIS 6 16.046 -1.601 4.635 1.00 65.34 ATOM 93 CE1 HIS 6 12.867 -2.197 4.626 1.00 71.13 ATOM 94 HE1 HIS 6 11.824 -1.983 4.445 1.00 15.01 ATOM 95 NE2 HIS 6 13.879 -1.392 4.357 1.00 12.34 ATOM 96 HE2 HIS 6 13.812 -0.542 3.873 1.00 38.48 ATOM 97 C HIS 6 15.779 -6.081 7.547 1.00 21.25 ATOM 98 O HIS 6 16.342 -6.753 6.682 1.00 54.20 ATOM 99 N HIS 7 15.608 -6.506 8.795 1.00 33.32 ATOM 100 HN HIS 7 15.146 -5.922 9.444 1.00 38.48 ATOM 101 CA HIS 7 16.081 -7.816 9.228 1.00 31.33 ATOM 102 HA HIS 7 17.142 -7.876 9.016 1.00 24.24 ATOM 103 CB HIS 7 15.873 -7.985 10.734 1.00 44.23 ATOM 104 HB1 HIS 7 16.286 -7.128 11.245 1.00 38.48 ATOM 105 HB2 HIS 7 16.386 -8.876 11.063 1.00 62.35 ATOM 106 CG HIS 7 14.434 -8.110 11.130 1.00 44.33 ATOM 107 ND1 HIS 7 13.820 -9.322 11.362 1.00 61.34 ATOM 108 HD1 HIS 7 14.246 -10.202 11.294 1.00 52.24 ATOM 109 CD2 HIS 7 13.488 -7.165 11.336 1.00 13.52 ATOM 110 HD2 HIS 7 13.619 -6.096 11.244 1.00 34.21 ATOM 111 CE1 HIS 7 12.558 -9.118 11.692 1.00 55.31 ATOM 112 HE1 HIS 7 11.835 -9.885 11.930 1.00 72.14 ATOM 113 NE2 HIS 7 12.330 -7.817 11.684 1.00 4.54 ATOM 114 HE2 HIS 7 11.504 -7.387 11.988 1.00 38.48 ATOM 115 C HIS 7 15.360 -8.931 8.476 1.00 41.54 ATOM 116 O HIS 7 14.218 -8.765 8.046 1.00 60.34 ATOM 117 N HIS 8 16.035 -10.065 8.319 1.00 31.10 ATOM 118 HN HIS 8 16.938 -10.143 8.706 1.00 38.48 ATOM 119 CA HIS 8 15.459 -11.207 7.618 1.00 55.23 ATOM 120 HA HIS 8 14.664 -10.855 6.968 1.00 10.32 ATOM 121 CB HIS 8 16.517 -11.885 6.748 1.00 60.14 ATOM 122 HB1 HIS 8 16.864 -11.179 6.007 1.00 38.48 ATOM 123 HB2 HIS 8 16.078 -12.735 6.244 1.00 22.25 ATOM 124 CG HIS 8 17.706 -12.370 7.519 1.00 35.31 ATOM 125 ND1 HIS 8 17.686 -13.511 8.293 1.00 34.23 ATOM 126 HD1 HIS 8 16.917 -14.105 8.416 1.00 44.23 ATOM 127 CD2 HIS 8 18.955 -11.863 7.631 1.00 24.02 ATOM 128 HD2 HIS 8 19.329 -10.968 7.153 1.00 51.40 ATOM 129 CE1 HIS 8 18.871 -13.684 8.850 1.00 43.24 ATOM 130 HE1 HIS 8 19.148 -14.495 9.508 1.00 62.43 ATOM 131 NE2 HIS 8 19.660 -12.697 8.464 1.00 63.45 ATOM 132 HE2 HIS 8 20.564 -12.531 8.804 1.00 38.48 ATOM 133 C HIS 8 14.874 -12.212 8.605 1.00 21.42 ATOM 134 O HIS 8 15.404 -12.402 9.700 1.00 64.33 ATOM 135 N SER 9 13.778 -12.853 8.211 1.00 22.11 ATOM 136 HN SER 9 13.391 -12.662 7.325 1.00 38.48 ATOM 137 CA SER 9 13.119 -13.836 9.063 1.00 1.23 ATOM 138 HA SER 9 13.714 -13.995 9.956 1.00 61.22 ATOM 139 CB SER 9 11.741 -13.328 9.492 1.00 3.22 ATOM 140 HB1 SER 9 11.128 -13.161 8.617 1.00 38.48 ATOM 141 HB2 SER 9 11.857 -12.399 10.031 1.00 10.25 ATOM 142 OG SER 9 11.093 -14.263 10.336 1.00 32.23 ATOM 143 HG SER 9 10.639 -14.920 9.803 1.00 71.41 ATOM 144 C SER 9 12.979 -15.173 8.342 1.00 31.14 ATOM 145 O SER 9 11.965 -15.440 7.696 1.00 2.21 ATOM 146 N HIS 10 14.004 -16.011 8.458 1.00 23.02 ATOM 147 HN HIS 10 14.787 -15.743 8.997 1.00 38.48 ATOM 148 CA HIS 10 13.996 -17.322 7.818 1.00 5.23 ATOM 149 HA HIS 10 13.717 -17.187 6.779 1.00 42.15 ATOM 150 CB HIS 10 15.390 -17.948 7.874 1.00 20.43 ATOM 151 HB1 HIS 10 15.658 -18.139 8.905 1.00 38.48 ATOM 152 HB2 HIS 10 16.101 -17.256 7.448 1.00 33.43 ATOM 153 CG HIS 10 15.499 -19.236 7.117 1.00 34.12 ATOM 154 ND1 HIS 10 15.799 -20.440 7.719 1.00 53.11 ATOM 155 HD1 HIS 10 15.969 -20.576 8.675 1.00 14.50 ATOM 156 CD2 HIS 10 15.344 -19.504 5.800 1.00 75.15 ATOM 157 HD2 HIS 10 15.101 -18.790 5.025 1.00 63.23 ATOM 158 CE1 HIS 10 15.825 -21.392 6.804 1.00 62.41 ATOM 159 HE1 HIS 10 16.033 -22.436 6.985 1.00 62.33 ATOM 160 NE2 HIS 10 15.552 -20.851 5.631 1.00 52.24 ATOM 161 HE2 HIS 10 15.601 -21.316 4.770 1.00 38.48 ATOM 162 C HIS 10 12.983 -18.246 8.486 1.00 31.21 ATOM 163 O HIS 10 12.648 -18.073 9.658 1.00 42.15 ATOM 164 N MET 11 12.498 -19.227 7.732 1.00 32.43 ATOM 165 HN MET 11 12.795 -19.316 6.797 1.00 38.48 ATOM 166 CA MET 11 11.523 -20.179 8.252 1.00 34.10 ATOM 167 HA MET 11 11.001 -19.711 9.083 1.00 2.42 ATOM 168 CB MET 11 10.497 -20.531 7.173 1.00 31.50 ATOM 169 HB1 MET 11 10.895 -21.297 6.517 1.00 38.48 ATOM 170 HB2 MET 11 10.309 -19.643 6.581 1.00 74.53 ATOM 171 CG MET 11 9.161 -20.992 7.732 1.00 34.22 ATOM 172 HG1 MET 11 8.402 -20.795 6.989 1.00 38.48 ATOM 173 HG2 MET 11 8.932 -20.430 8.628 1.00 22.52 ATOM 174 SD MET 11 9.144 -22.750 8.133 1.00 62.11 ATOM 175 CE MET 11 7.475 -23.191 7.655 1.00 44.15 ATOM 176 HE1 MET 11 6.770 -22.610 8.231 1.00 3.41 ATOM 177 HE2 MET 11 7.313 -24.242 7.842 1.00 53.41 ATOM 178 HE3 MET 11 7.336 -22.987 6.604 1.00 41.41 ATOM 179 C MET 11 12.211 -21.446 8.749 1.00 61.42 ATOM 180 O MET 11 12.978 -22.074 8.019 1.00 15.13 ATOM 181 N ASN 12 11.933 -21.816 9.995 1.00 75.44 ATOM 182 HN ASN 12 11.321 -21.266 10.540 1.00 38.48 ATOM 183 CA ASN 12 12.526 -23.009 10.589 1.00 43.34 ATOM 184 HA ASN 12 12.623 -23.758 9.808 1.00 13.45 ATOM 185 CB ASN 12 13.910 -22.686 11.157 1.00 14.32 ATOM 186 HB1 ASN 12 13.808 -22.224 12.123 1.00 38.48 ATOM 187 HB2 ASN 12 14.417 -22.002 10.491 1.00 63.13 ATOM 188 CG ASN 12 14.776 -23.921 11.308 1.00 73.45 ATOM 189 OD1 ASN 12 14.358 -25.030 10.974 1.00 33.44 ATOM 190 ND2 ASN 12 15.990 -23.735 11.812 1.00 50.22 ATOM 191 HD21 ASN 12 16.271 -22.825 12.061 1.00 24.23 ATOM 192 HD22 ASN 12 16.565 -24.522 11.917 1.00 22.53 ATOM 193 C ASN 12 11.631 -23.572 11.688 1.00 21.02 ATOM 194 O ASN 12 10.885 -22.836 12.333 1.00 11.24 ATOM 195 N SER 13 11.712 -24.882 11.896 1.00 31.42 ATOM 196 HN SER 13 12.339 -25.419 11.353 1.00 38.48 ATOM 197 CA SER 13 10.907 -25.546 12.915 1.00 1.43 ATOM 198 HA SER 13 9.879 -25.227 12.799 1.00 74.20 ATOM 199 CB SER 13 10.971 -27.064 12.738 1.00 52.25 ATOM 200 HB1 SER 13 10.254 -27.532 13.396 1.00 38.48 ATOM 201 HB2 SER 13 11.965 -27.418 12.976 1.00 41.01 ATOM 202 OG SER 13 10.673 -27.434 11.402 1.00 5.23 ATOM 203 HG SER 13 10.691 -28.391 11.323 1.00 3.22 ATOM 204 C SER 13 11.382 -25.166 14.315 1.00 53.34 ATOM 205 O SER 13 10.584 -24.782 15.170 1.00 61.14 ATOM 206 N ALA 14 12.687 -25.276 14.540 1.00 12.21 ATOM 207 HN ALA 14 13.277 -25.595 13.815 1.00 38.48 ATOM 208 CA ALA 14 13.269 -24.942 15.834 1.00 62.40 ATOM 209 HA ALA 14 12.825 -25.582 16.582 1.00 43.23 ATOM 210 CB ALA 14 14.769 -25.199 15.819 1.00 11.35 ATOM 211 HB1 ALA 14 15.228 -24.595 15.049 1.00 51.41 ATOM 212 HB2 ALA 14 14.956 -26.240 15.611 1.00 32.55 ATOM 213 HB3 ALA 14 15.198 -24.941 16.775 1.00 71.44 ATOM 214 C ALA 14 12.982 -23.492 16.208 1.00 62.20 ATOM 215 O ALA 14 12.766 -23.175 17.377 1.00 51.20 ATOM 216 N GLU 15 12.983 -22.617 15.208 1.00 54.43 ATOM 217 HN GLU 15 13.178 -22.923 14.291 1.00 38.48 ATOM 218 CA GLU 15 12.724 -21.199 15.434 1.00 75.53 ATOM 219 HA GLU 15 13.460 -20.831 16.139 1.00 5.52 ATOM 220 CB GLU 15 12.844 -20.421 14.122 1.00 2.31 ATOM 221 HB1 GLU 15 12.234 -19.525 14.185 1.00 38.48 ATOM 222 HB2 GLU 15 12.471 -21.033 13.313 1.00 30.52 ATOM 223 CG GLU 15 14.267 -20.005 13.790 1.00 64.12 ATOM 224 HG1 GLU 15 14.740 -20.788 13.223 1.00 38.48 ATOM 225 HG2 GLU 15 14.820 -19.850 14.708 1.00 12.03 ATOM 226 CD GLU 15 14.327 -18.722 12.984 1.00 4.22 ATOM 227 OE1 GLU 15 14.713 -17.681 13.556 1.00 3.30 ATOM 228 OE2 GLU 15 13.989 -18.758 11.783 1.00 34.30 ATOM 229 C GLU 15 11.338 -20.989 16.037 1.00 33.31 ATOM 230 O GLU 15 11.201 -20.418 17.119 1.00 64.52 ATOM 231 N GLN 16 10.314 -21.454 15.329 1.00 73.22 ATOM 232 HN GLN 16 10.489 -21.905 14.468 1.00 38.48 ATOM 233 CA GLN 16 8.939 -21.316 15.794 1.00 54.03 ATOM 234 HA GLN 16 8.739 -20.264 15.949 1.00 63.44 ATOM 235 CB GLN 16 7.966 -21.850 14.741 1.00 31.41 ATOM 236 HB1 GLN 16 8.140 -21.327 13.812 1.00 38.48 ATOM 237 HB2 GLN 16 6.954 -21.651 15.070 1.00 72.31 ATOM 238 CG GLN 16 8.110 -23.341 14.481 1.00 71.23 ATOM 239 HG1 GLN 16 8.091 -23.885 15.410 1.00 38.48 ATOM 240 HG2 GLN 16 9.048 -23.508 13.983 1.00 34.44 ATOM 241 CD GLN 16 7.008 -23.888 13.595 1.00 71.11 ATOM 242 OE1 GLN 16 6.311 -23.135 12.915 1.00 41.45 ATOM 243 NE2 GLN 16 6.844 -25.206 13.598 1.00 3.24 ATOM 244 HE21 GLN 16 7.430 -25.761 14.161 1.00 13.34 ATOM 245 HE22 GLN 16 6.136 -25.578 13.031 1.00 60.20 ATOM 246 C GLN 16 8.733 -22.053 17.113 1.00 4.43 ATOM 247 O GLN 16 7.909 -21.655 17.938 1.00 45.03 ATOM 248 N THR 17 9.488 -23.130 17.308 1.00 41.32 ATOM 249 HN THR 17 10.121 -23.418 16.610 1.00 38.48 ATOM 250 CA THR 17 9.388 -23.923 18.526 1.00 22.12 ATOM 251 HA THR 17 8.361 -24.249 18.635 1.00 23.04 ATOM 252 CB THR 17 10.283 -25.175 18.456 1.00 0.04 ATOM 253 HB THR 17 11.299 -24.866 18.303 1.00 11.21 ATOM 254 OG1 THR 17 9.884 -26.002 17.357 1.00 10.25 ATOM 255 HG1 THR 17 8.964 -26.284 17.451 1.00 25.21 ATOM 256 CG2 THR 17 10.203 -25.970 19.751 1.00 44.01 ATOM 257 HG21 THR 17 10.669 -26.918 19.580 1.00 60.43 ATOM 258 HG22 THR 17 9.170 -26.122 20.036 1.00 31.21 ATOM 259 HG23 THR 17 10.729 -25.452 20.540 1.00 63.14 ATOM 260 C THR 17 9.777 -23.102 19.750 1.00 30.23 ATOM 261 O THR 17 9.086 -23.122 20.769 1.00 71.40 ATOM 262 N VAL 18 10.887 -22.379 19.644 1.00 25.31 ATOM 263 HN VAL 18 11.380 -22.386 18.793 1.00 38.48 ATOM 264 CA VAL 18 11.367 -21.549 20.743 1.00 63.25 ATOM 265 HA VAL 18 11.576 -22.196 21.586 1.00 5.41 ATOM 266 CB VAL 18 12.665 -20.811 20.363 1.00 54.22 ATOM 267 HB VAL 18 12.458 -20.153 19.530 1.00 40.35 ATOM 268 CG1 VAL 18 13.157 -19.963 21.526 1.00 73.11 ATOM 269 HG11 VAL 18 14.160 -19.616 21.325 1.00 23.13 ATOM 270 HG12 VAL 18 13.161 -20.547 22.436 1.00 35.21 ATOM 271 HG13 VAL 18 12.514 -19.110 21.650 1.00 52.20 ATOM 272 CG2 VAL 18 13.733 -21.802 19.925 1.00 14.31 ATOM 273 HG21 VAL 18 13.993 -22.437 20.759 1.00 64.04 ATOM 274 HG22 VAL 18 14.612 -21.263 19.602 1.00 74.33 ATOM 275 HG23 VAL 18 13.381 -22.401 19.123 1.00 62.43 ATOM 276 C VAL 18 10.316 -20.526 21.158 1.00 22.21 ATOM 277 O VAL 18 9.869 -20.509 22.305 1.00 31.25 ATOM 278 N THR 19 9.924 -19.673 20.217 1.00 1.11 ATOM 279 HN THR 19 10.315 -19.738 19.313 1.00 38.48 ATOM 280 CA THR 19 8.926 -18.646 20.485 1.00 54.51 ATOM 281 HA THR 19 9.309 -17.990 21.242 1.00 63.51 ATOM 282 CB THR 19 8.632 -17.806 19.227 1.00 31.22 ATOM 283 HB THR 19 8.128 -18.427 18.497 1.00 52.43 ATOM 284 OG1 THR 19 9.857 -17.333 18.657 1.00 41.20 ATOM 285 HG1 THR 19 10.344 -16.786 19.288 1.00 64.54 ATOM 286 CG2 THR 19 7.733 -16.626 19.562 1.00 0.53 ATOM 287 HG21 THR 19 8.157 -16.061 20.381 1.00 22.11 ATOM 288 HG22 THR 19 6.751 -16.980 19.837 1.00 23.33 ATOM 289 HG23 THR 19 7.650 -15.986 18.696 1.00 70.22 ATOM 290 C THR 19 7.624 -19.261 20.987 1.00 44.04 ATOM 291 O THR 19 6.958 -18.702 21.857 1.00 12.24 ATOM 292 N TRP 20 7.269 -20.415 20.433 1.00 42.52 ATOM 293 HN TRP 20 7.831 -20.810 19.726 1.00 38.48 ATOM 294 CA TRP 20 6.047 -21.106 20.826 1.00 74.35 ATOM 295 HA TRP 20 5.208 -20.470 20.578 1.00 44.04 ATOM 296 CB TRP 20 5.912 -22.422 20.058 1.00 73.24 ATOM 297 HB1 TRP 20 6.816 -22.994 20.171 1.00 38.48 ATOM 298 HB2 TRP 20 5.760 -22.203 19.012 1.00 33.04 ATOM 299 CG TRP 20 4.761 -23.264 20.519 1.00 31.13 ATOM 300 CD1 TRP 20 3.462 -22.868 20.666 1.00 42.42 ATOM 301 HD1 TRP 20 3.103 -21.871 20.459 1.00 40.43 ATOM 302 CD2 TRP 20 4.806 -24.644 20.897 1.00 60.43 ATOM 303 NE1 TRP 20 2.697 -23.919 21.111 1.00 3.54 ATOM 304 HE1 TRP 20 1.734 -23.884 21.296 1.00 42.42 ATOM 305 CE2 TRP 20 3.498 -25.020 21.260 1.00 31.00 ATOM 306 CE3 TRP 20 5.823 -25.600 20.961 1.00 64.21 ATOM 307 HE3 TRP 20 6.839 -25.353 20.691 1.00 34.21 ATOM 308 CZ2 TRP 20 3.184 -26.309 21.682 1.00 70.20 ATOM 309 HZ2 TRP 20 2.186 -26.585 21.945 1.00 75.24 ATOM 310 CZ3 TRP 20 5.510 -26.879 21.380 1.00 23.22 ATOM 311 HZ3 TRP 20 6.279 -27.627 21.442 1.00 73.23 ATOM 312 CH2 TRP 20 4.200 -27.225 21.736 1.00 54.35 ATOM 313 HH2 TRP 20 4.008 -28.229 22.052 1.00 30.24 ATOM 314 C TRP 20 6.032 -21.375 22.326 1.00 34.32 ATOM 315 O TRP 20 5.021 -21.159 22.996 1.00 54.23 ATOM 316 N LEU 21 7.157 -21.848 22.849 1.00 24.14 ATOM 317 HN LEU 21 7.936 -22.006 22.263 1.00 38.48 ATOM 318 CA LEU 21 7.273 -22.146 24.273 1.00 64.53 ATOM 319 HA LEU 21 6.426 -22.750 24.565 1.00 51.41 ATOM 320 CB LEU 21 8.559 -22.928 24.547 1.00 65.02 ATOM 321 HB1 LEU 21 8.652 -23.070 25.618 1.00 38.48 ATOM 322 HB2 LEU 21 9.392 -22.321 24.213 1.00 14.03 ATOM 323 CG LEU 21 8.668 -24.298 23.877 1.00 33.53 ATOM 324 HG LEU 21 8.534 -24.185 22.816 1.00 24.33 ATOM 325 CD1 LEU 21 10.043 -24.902 24.116 1.00 60.01 ATOM 326 HD11 LEU 21 10.803 -24.241 23.722 1.00 64.24 ATOM 327 HD12 LEU 21 10.111 -25.859 23.616 1.00 0.34 ATOM 328 HD13 LEU 21 10.203 -25.039 25.177 1.00 65.23 ATOM 329 CD2 LEU 21 7.578 -25.230 24.389 1.00 5.33 ATOM 330 HD21 LEU 21 6.608 -24.829 24.138 1.00 72.52 ATOM 331 HD22 LEU 21 7.658 -25.332 25.462 1.00 21.13 ATOM 332 HD23 LEU 21 7.687 -26.203 23.929 1.00 14.02 ATOM 333 C LEU 21 7.257 -20.866 25.101 1.00 50.43 ATOM 334 O LEU 21 6.855 -20.873 26.265 1.00 52.54 ATOM 335 N ILE 22 7.694 -19.768 24.492 1.00 23.33 ATOM 336 HN ILE 22 8.028 -19.819 23.573 1.00 38.48 ATOM 337 CA ILE 22 7.726 -18.480 25.173 1.00 44.45 ATOM 338 HA ILE 22 8.108 -18.629 26.171 1.00 60.01 ATOM 339 CB ILE 22 8.647 -17.482 24.445 1.00 53.31 ATOM 340 HB ILE 22 8.258 -17.331 23.447 1.00 23.34 ATOM 341 CG1 ILE 22 10.069 -18.038 24.355 1.00 22.15 ATOM 342 HG11 ILE 22 10.044 -19.091 24.136 1.00 38.48 ATOM 343 HG12 ILE 22 10.574 -17.898 25.301 1.00 71.13 ATOM 344 CG2 ILE 22 8.641 -16.138 25.159 1.00 24.53 ATOM 345 HG21 ILE 22 9.286 -15.455 24.635 1.00 35.14 ATOM 346 HG22 ILE 22 8.996 -16.259 26.172 1.00 35.42 ATOM 347 HG23 ILE 22 7.644 -15.725 25.176 1.00 63.11 ATOM 348 CD1 ILE 22 10.911 -17.376 23.287 1.00 32.11 ATOM 349 HD11 ILE 22 10.518 -16.398 23.042 1.00 52.21 ATOM 350 HD12 ILE 22 10.913 -17.990 22.407 1.00 44.12 ATOM 351 HD13 ILE 22 11.921 -17.273 23.644 1.00 15.22 ATOM 352 C ILE 22 6.329 -17.880 25.280 1.00 54.41 ATOM 353 O ILE 22 5.862 -17.555 26.372 1.00 11.23 ATOM 354 N THR 23 5.663 -17.736 24.138 1.00 33.22 ATOM 355 HN THR 23 6.089 -18.013 23.293 1.00 38.48 ATOM 356 CA THR 23 4.318 -17.176 24.103 1.00 73.20 ATOM 357 HA THR 23 4.369 -16.154 24.453 1.00 12.04 ATOM 358 CB THR 23 3.751 -17.165 22.671 1.00 41.23 ATOM 359 HB THR 23 4.466 -16.682 22.021 1.00 61.51 ATOM 360 OG1 THR 23 2.520 -16.435 22.637 1.00 53.13 ATOM 361 HG1 THR 23 2.705 -15.493 22.601 1.00 62.13 ATOM 362 CG2 THR 23 3.520 -18.582 22.169 1.00 64.23 ATOM 363 HG21 THR 23 3.140 -18.539 21.159 1.00 73.02 ATOM 364 HG22 THR 23 2.806 -19.097 22.791 1.00 50.22 ATOM 365 HG23 THR 23 4.454 -19.111 22.168 1.00 51.32 ATOM 366 C THR 23 3.372 -17.960 25.005 1.00 32.52 ATOM 367 O THR 23 2.366 -17.430 25.478 1.00 10.34 ATOM 368 N LEU 24 3.700 -19.226 25.241 1.00 40.12 ATOM 369 HN LEU 24 4.483 -19.624 24.801 1.00 38.48 ATOM 370 CA LEU 24 2.879 -20.084 26.088 1.00 23.21 ATOM 371 HA LEU 24 1.837 -19.924 25.831 1.00 25.12 ATOM 372 CB LEU 24 3.228 -21.554 25.849 1.00 60.23 ATOM 373 HB1 LEU 24 2.937 -22.132 26.722 1.00 38.48 ATOM 374 HB2 LEU 24 4.307 -21.619 25.758 1.00 51.52 ATOM 375 CG LEU 24 2.596 -22.202 24.616 1.00 45.32 ATOM 376 HG LEU 24 2.586 -21.490 23.801 1.00 71.32 ATOM 377 CD1 LEU 24 3.412 -23.405 24.168 1.00 50.43 ATOM 378 HD11 LEU 24 2.766 -24.251 23.967 1.00 24.23 ATOM 379 HD12 LEU 24 4.124 -23.678 24.932 1.00 55.14 ATOM 380 HD13 LEU 24 3.947 -23.160 23.273 1.00 2.33 ATOM 381 CD2 LEU 24 1.158 -22.607 24.904 1.00 24.40 ATOM 382 HD21 LEU 24 0.705 -22.982 24.000 1.00 1.43 ATOM 383 HD22 LEU 24 0.600 -21.747 25.249 1.00 71.11 ATOM 384 HD23 LEU 24 1.138 -23.376 25.664 1.00 72.43 ATOM 385 C LEU 24 3.070 -19.738 27.561 1.00 2.13 ATOM 386 O LEU 24 2.187 -19.973 28.384 1.00 34.03 ATOM 387 N GLY 25 4.230 -19.175 27.886 1.00 24.34 ATOM 388 HN GLY 25 4.920 -19.033 27.213 1.00 38.48 ATOM 389 CA GLY 25 4.515 -18.804 29.260 1.00 44.51 ATOM 390 HA1 GLY 25 3.610 -18.455 29.744 1.00 38.48 ATOM 391 HA2 GLY 25 5.233 -17.997 29.254 1.00 11.11 ATOM 392 C GLY 25 5.090 -19.953 30.064 1.00 14.24 ATOM 393 O GLY 25 4.768 -20.118 31.241 1.00 30.22 ATOM 394 N VAL 26 5.941 -20.751 29.428 1.00 3.05 ATOM 395 HN VAL 26 6.164 -20.566 28.492 1.00 38.48 ATOM 396 CA VAL 26 6.561 -21.891 30.092 1.00 23.53 ATOM 397 HA VAL 26 6.283 -21.896 31.141 1.00 52.42 ATOM 398 CB VAL 26 6.102 -23.222 29.467 1.00 21.35 ATOM 399 HB VAL 26 6.737 -24.021 29.829 1.00 54.15 ATOM 400 CG1 VAL 26 4.676 -23.544 29.885 1.00 35.55 ATOM 401 HG11 VAL 26 4.605 -23.556 30.964 1.00 35.42 ATOM 402 HG12 VAL 26 4.398 -24.512 29.502 1.00 44.24 ATOM 403 HG13 VAL 26 4.006 -22.795 29.489 1.00 12.51 ATOM 404 CG2 VAL 26 6.223 -23.169 27.952 1.00 2.30 ATOM 405 HG21 VAL 26 5.950 -24.131 27.542 1.00 3.31 ATOM 406 HG22 VAL 26 7.235 -22.946 27.663 1.00 3.41 ATOM 407 HG23 VAL 26 5.556 -22.420 27.556 1.00 73.33 ATOM 408 C VAL 26 8.082 -21.808 30.023 1.00 50.13 ATOM 409 O VAL 26 8.780 -22.201 30.959 1.00 51.34 ATOM 410 N LEU 27 8.590 -21.293 28.908 1.00 21.44 ATOM 411 HN LEU 27 8.005 -21.008 28.177 1.00 38.48 ATOM 412 CA LEU 27 10.030 -21.157 28.716 1.00 73.02 ATOM 413 HA LEU 27 10.534 -21.515 29.605 1.00 73.15 ATOM 414 CB LEU 27 10.488 -22.007 27.530 1.00 62.15 ATOM 415 HB1 LEU 27 9.948 -21.666 26.656 1.00 38.48 ATOM 416 HB2 LEU 27 10.203 -23.027 27.721 1.00 55.31 ATOM 417 CG LEU 27 11.983 -21.964 27.211 1.00 22.42 ATOM 418 HG LEU 27 12.279 -20.945 27.012 1.00 20.41 ATOM 419 CD1 LEU 27 12.796 -22.464 28.396 1.00 53.41 ATOM 420 HD11 LEU 27 12.538 -23.490 28.607 1.00 2.41 ATOM 421 HD12 LEU 27 12.598 -21.855 29.265 1.00 73.31 ATOM 422 HD13 LEU 27 13.848 -22.401 28.160 1.00 44.43 ATOM 423 CD2 LEU 27 12.288 -22.788 25.968 1.00 34.04 ATOM 424 HD21 LEU 27 13.337 -22.698 25.723 1.00 61.12 ATOM 425 HD22 LEU 27 11.699 -22.424 25.137 1.00 21.22 ATOM 426 HD23 LEU 27 12.048 -23.827 26.149 1.00 45.42 ATOM 427 C LEU 27 10.413 -19.698 28.489 1.00 60.21 ATOM 428 O LEU 27 9.908 -19.049 27.574 1.00 72.45 ATOM 429 N GLU 28 11.311 -19.190 29.328 1.00 74.14 ATOM 430 HN GLU 28 11.680 -19.759 30.045 1.00 38.48 ATOM 431 CA GLU 28 11.762 -17.808 29.217 1.00 63.12 ATOM 432 HA GLU 28 10.921 -17.164 29.433 1.00 75.20 ATOM 433 CB GLU 28 12.873 -17.528 30.231 1.00 64.41 ATOM 434 HB1 GLU 28 12.563 -17.914 31.193 1.00 38.48 ATOM 435 HB2 GLU 28 13.008 -16.458 30.310 1.00 15.05 ATOM 436 CG GLU 28 14.209 -18.150 29.858 1.00 74.22 ATOM 437 HG1 GLU 28 14.666 -17.554 29.081 1.00 38.48 ATOM 438 HG2 GLU 28 14.046 -19.154 29.491 1.00 5.12 ATOM 439 CD GLU 28 15.166 -18.224 31.031 1.00 2.23 ATOM 440 OE1 GLU 28 14.730 -18.628 32.129 1.00 21.31 ATOM 441 OE2 GLU 28 16.352 -17.877 30.851 1.00 43.31 ATOM 442 C GLU 28 12.260 -17.510 27.805 1.00 10.14 ATOM 443 O GLU 28 12.466 -18.420 27.003 1.00 72.40 ATOM 444 N SER 29 12.451 -16.228 27.510 1.00 75.01 ATOM 445 HN SER 29 12.287 -15.541 28.199 1.00 38.48 ATOM 446 CA SER 29 12.920 -15.808 26.195 1.00 74.34 ATOM 447 HA SER 29 12.686 -16.592 25.491 1.00 32.33 ATOM 448 CB SER 29 12.204 -14.528 25.759 1.00 74.41 ATOM 449 HB1 SER 29 12.918 -13.733 25.578 1.00 38.48 ATOM 450 HB2 SER 29 11.517 -14.211 26.531 1.00 43.00 ATOM 451 OG SER 29 11.463 -14.738 24.569 1.00 32.22 ATOM 452 HG SER 29 11.046 -13.916 24.302 1.00 52.12 ATOM 453 C SER 29 14.429 -15.583 26.202 1.00 15.14 ATOM 454 O SER 29 15.048 -15.394 27.249 1.00 24.43 ATOM 455 N PRO 30 15.035 -15.603 25.006 1.00 1.32 ATOM 456 CA PRO 30 16.478 -15.402 24.847 1.00 4.11 ATOM 457 HA PRO 30 17.044 -16.080 25.469 1.00 22.11 ATOM 458 CB PRO 30 16.722 -15.734 23.373 1.00 64.01 ATOM 459 HB1 PRO 30 17.001 -16.769 23.293 1.00 38.48 ATOM 460 HB2 PRO 30 17.507 -15.120 22.951 1.00 4.01 ATOM 461 CG PRO 30 15.416 -15.476 22.705 1.00 32.03 ATOM 462 HG1 PRO 30 15.307 -16.080 21.828 1.00 38.48 ATOM 463 HG2 PRO 30 15.346 -14.430 22.443 1.00 70.24 ATOM 464 CD PRO 30 14.358 -15.822 23.717 1.00 44.01 ATOM 465 HD1 PRO 30 14.056 -16.853 23.608 1.00 38.48 ATOM 466 HD2 PRO 30 13.522 -15.167 23.591 1.00 72.32 ATOM 467 C PRO 30 16.901 -13.968 25.147 1.00 12.30 ATOM 468 O PRO 30 16.106 -13.165 25.636 1.00 10.32 ATOM 469 N LYS 31 18.157 -13.651 24.850 1.00 33.44 ATOM 470 HN LYS 31 18.765 -14.342 24.499 1.00 38.48 ATOM 471 CA LYS 31 18.685 -12.313 25.086 1.00 23.23 ATOM 472 HA LYS 31 17.960 -11.734 25.648 1.00 43.50 ATOM 473 CB LYS 31 19.986 -12.390 25.890 1.00 74.43 ATOM 474 HB1 LYS 31 20.613 -11.541 25.641 1.00 38.48 ATOM 475 HB2 LYS 31 20.519 -13.294 25.625 1.00 12.41 ATOM 476 CG LYS 31 19.774 -12.366 27.394 1.00 73.15 ATOM 477 HG1 LYS 31 19.018 -11.631 27.639 1.00 38.48 ATOM 478 HG2 LYS 31 20.706 -12.081 27.857 1.00 15.33 ATOM 479 CD LYS 31 19.333 -13.723 27.917 1.00 63.14 ATOM 480 HD1 LYS 31 19.840 -14.509 27.369 1.00 38.48 ATOM 481 HD2 LYS 31 18.267 -13.820 27.781 1.00 21.14 ATOM 482 CE LYS 31 19.654 -13.881 29.395 1.00 71.40 ATOM 483 HE1 LYS 31 19.134 -14.752 29.767 1.00 38.48 ATOM 484 HE2 LYS 31 19.312 -13.007 29.934 1.00 34.12 ATOM 485 NZ LYS 31 21.114 -14.058 29.630 1.00 13.02 ATOM 486 HZ1 LYS 31 21.634 -13.203 29.353 1.00 43.53 ATOM 487 HZ2 LYS 31 21.477 -14.865 29.080 1.00 34.14 ATOM 488 HZ3 LYS 31 21.289 -14.241 30.639 1.00 40.05 ATOM 489 C LYS 31 18.932 -11.586 23.769 1.00 41.44 ATOM 490 O LYS 31 18.916 -10.356 23.714 1.00 43.31 ATOM 491 N LYS 32 19.159 -12.353 22.708 1.00 54.13 ATOM 492 HN LYS 32 19.202 -13.328 22.803 1.00 38.48 ATOM 493 CA LYS 32 19.406 -11.782 21.389 1.00 72.31 ATOM 494 HA LYS 32 18.808 -10.885 21.281 1.00 54.44 ATOM 495 CB LYS 32 20.883 -11.411 21.240 1.00 10.21 ATOM 496 HB1 LYS 32 21.096 -10.629 21.946 1.00 38.48 ATOM 497 HB2 LYS 32 21.065 -11.037 20.241 1.00 53.12 ATOM 498 CG LYS 32 21.831 -12.565 21.516 1.00 42.14 ATOM 499 HG1 LYS 32 21.560 -13.404 20.890 1.00 38.48 ATOM 500 HG2 LYS 32 21.744 -12.853 22.555 1.00 62.40 ATOM 501 CD LYS 32 23.272 -12.186 21.216 1.00 20.44 ATOM 502 HD1 LYS 32 23.335 -11.759 20.223 1.00 38.48 ATOM 503 HD2 LYS 32 23.877 -13.080 21.257 1.00 43.13 ATOM 504 CE LYS 32 23.810 -11.191 22.233 1.00 33.55 ATOM 505 HE1 LYS 32 24.875 -11.345 22.328 1.00 38.48 ATOM 506 HE2 LYS 32 23.342 -11.356 23.196 1.00 33.35 ATOM 507 NZ LYS 32 23.570 -9.783 21.812 1.00 21.41 ATOM 508 HZ1 LYS 32 23.625 -9.681 20.775 1.00 75.30 ATOM 509 HZ2 LYS 32 24.292 -9.167 22.237 1.00 72.54 ATOM 510 HZ3 LYS 32 22.640 -9.460 22.134 1.00 63.13 ATOM 511 C LYS 32 19.003 -12.759 20.289 1.00 22.51 ATOM 512 O LYS 32 18.569 -13.878 20.566 1.00 61.30 ATOM 513 N THR 33 19.151 -12.331 19.039 1.00 1.23 ATOM 514 HN THR 33 19.484 -11.417 18.875 1.00 38.48 ATOM 515 CA THR 33 18.803 -13.168 17.898 1.00 3.30 ATOM 516 HA THR 33 17.726 -13.295 17.904 1.00 32.11 ATOM 517 CB THR 33 19.202 -12.499 16.569 1.00 71.12 ATOM 518 HB THR 33 20.282 -12.490 16.486 1.00 51.14 ATOM 519 OG1 THR 33 18.731 -11.147 16.540 1.00 4.02 ATOM 520 HG1 THR 33 17.769 -11.113 16.628 1.00 73.50 ATOM 521 CG2 THR 33 18.631 -13.265 15.385 1.00 21.21 ATOM 522 HG21 THR 33 17.561 -13.370 15.498 1.00 53.20 ATOM 523 HG22 THR 33 19.086 -14.242 15.327 1.00 53.22 ATOM 524 HG23 THR 33 18.840 -12.721 14.476 1.00 44.22 ATOM 525 C THR 33 19.478 -14.531 17.990 1.00 23.42 ATOM 526 O THR 33 20.684 -14.653 17.774 1.00 25.13 ATOM 527 N ILE 34 18.693 -15.554 18.311 1.00 24.33 ATOM 528 HN ILE 34 17.729 -15.396 18.439 1.00 38.48 ATOM 529 CA ILE 34 19.216 -16.910 18.430 1.00 42.20 ATOM 530 HA ILE 34 20.036 -16.889 19.143 1.00 11.54 ATOM 531 CB ILE 34 18.147 -17.881 18.964 1.00 13.20 ATOM 532 HB ILE 34 17.337 -17.925 18.248 1.00 31.24 ATOM 533 CG1 ILE 34 17.599 -17.384 20.304 1.00 64.51 ATOM 534 HG11 ILE 34 17.232 -16.374 20.200 1.00 38.48 ATOM 535 HG12 ILE 34 18.388 -17.395 21.041 1.00 13.45 ATOM 536 CG2 ILE 34 18.726 -19.280 19.108 1.00 25.01 ATOM 537 HG21 ILE 34 19.547 -19.263 19.811 1.00 64.13 ATOM 538 HG22 ILE 34 19.081 -19.638 18.154 1.00 24.41 ATOM 539 HG23 ILE 34 17.971 -19.958 19.462 1.00 53.12 ATOM 540 CD1 ILE 34 16.458 -18.221 20.837 1.00 33.14 ATOM 541 HD11 ILE 34 15.594 -18.093 20.203 1.00 64.23 ATOM 542 HD12 ILE 34 16.216 -17.918 21.832 1.00 72.51 ATOM 543 HD13 ILE 34 16.730 -19.261 20.858 1.00 24.04 ATOM 544 C ILE 34 19.726 -17.422 17.087 1.00 5.42 ATOM 545 O ILE 34 18.945 -17.678 16.171 1.00 10.13 ATOM 546 N SER 35 21.043 -17.570 16.978 1.00 12.02 ATOM 547 HN SER 35 21.620 -17.366 17.752 1.00 38.48 ATOM 548 CA SER 35 21.659 -18.050 15.746 1.00 14.25 ATOM 549 HA SER 35 21.085 -17.680 14.904 1.00 12.15 ATOM 550 CB SER 35 23.089 -17.521 15.627 1.00 23.21 ATOM 551 HB1 SER 35 23.058 -16.509 15.247 1.00 38.48 ATOM 552 HB2 SER 35 23.663 -18.136 14.944 1.00 54.43 ATOM 553 OG SER 35 23.736 -17.512 16.888 1.00 44.23 ATOM 554 HG SER 35 23.654 -16.643 17.291 1.00 20.13 ATOM 555 C SER 35 21.662 -19.575 15.699 1.00 1.32 ATOM 556 O SER 35 21.704 -20.173 14.624 1.00 34.32 ATOM 557 N ASP 36 21.618 -20.197 16.872 1.00 4.42 ATOM 558 HN ASP 36 21.581 -19.677 17.705 1.00 38.48 ATOM 559 CA ASP 36 21.615 -21.652 16.966 1.00 4.14 ATOM 560 HA ASP 36 21.533 -22.079 15.976 1.00 10.32 ATOM 561 CB ASP 36 22.929 -22.148 17.573 1.00 11.43 ATOM 562 HB1 ASP 36 23.689 -22.139 16.805 1.00 38.48 ATOM 563 HB2 ASP 36 22.812 -23.161 17.937 1.00 40.02 ATOM 564 CG ASP 36 23.402 -21.276 18.720 1.00 43.02 ATOM 565 OD1 ASP 36 22.653 -21.140 19.710 1.00 43.15 ATOM 566 OD2 ASP 36 24.521 -20.729 18.627 1.00 24.10 ATOM 567 C ASP 36 20.438 -22.140 17.804 1.00 15.20 ATOM 568 O ASP 36 20.591 -22.557 18.952 1.00 1.22 ATOM 569 N PRO 37 19.232 -22.086 17.218 1.00 20.43 ATOM 570 CA PRO 37 18.004 -22.518 17.893 1.00 63.31 ATOM 571 HA PRO 37 17.883 -22.031 18.848 1.00 2.41 ATOM 572 CB PRO 37 16.897 -22.063 16.939 1.00 13.14 ATOM 573 HB1 PRO 37 16.547 -21.087 17.240 1.00 38.48 ATOM 574 HB2 PRO 37 16.068 -22.761 16.948 1.00 24.45 ATOM 575 CG PRO 37 17.549 -22.006 15.601 1.00 33.01 ATOM 576 HG1 PRO 37 17.055 -21.272 14.982 1.00 38.48 ATOM 577 HG2 PRO 37 17.512 -22.979 15.133 1.00 52.20 ATOM 578 CD PRO 37 18.975 -21.601 15.852 1.00 12.21 ATOM 579 HD1 PRO 37 19.076 -20.528 15.797 1.00 38.48 ATOM 580 HD2 PRO 37 19.624 -22.081 15.136 1.00 35.04 ATOM 581 C PRO 37 17.951 -24.030 18.088 1.00 1.31 ATOM 582 O PRO 37 17.362 -24.519 19.051 1.00 74.32 ATOM 583 N GLU 38 18.571 -24.763 17.169 1.00 40.24 ATOM 584 HN GLU 38 19.014 -24.321 16.408 1.00 38.48 ATOM 585 CA GLU 38 18.593 -26.219 17.241 1.00 71.00 ATOM 586 HA GLU 38 17.572 -26.567 17.210 1.00 22.34 ATOM 587 CB GLU 38 19.360 -26.800 16.051 1.00 53.51 ATOM 588 HB1 GLU 38 19.540 -27.856 16.227 1.00 38.48 ATOM 589 HB2 GLU 38 20.309 -26.292 15.967 1.00 62.13 ATOM 590 CG GLU 38 18.627 -26.659 14.727 1.00 12.44 ATOM 591 HG1 GLU 38 18.612 -25.615 14.449 1.00 38.48 ATOM 592 HG2 GLU 38 17.612 -27.013 14.846 1.00 12.22 ATOM 593 CD GLU 38 19.283 -27.447 13.610 1.00 12.14 ATOM 594 OE1 GLU 38 18.706 -28.473 13.191 1.00 4.42 ATOM 595 OE2 GLU 38 20.372 -27.039 13.156 1.00 71.01 ATOM 596 C GLU 38 19.227 -26.689 18.547 1.00 60.31 ATOM 597 O GLU 38 18.795 -27.678 19.139 1.00 42.42 ATOM 598 N GLY 39 20.256 -25.973 18.990 1.00 31.11 ATOM 599 HN GLY 39 20.582 -25.200 18.479 1.00 38.48 ATOM 600 CA GLY 39 20.934 -26.332 20.222 1.00 71.20 ATOM 601 HA1 GLY 39 21.956 -25.987 20.162 1.00 38.48 ATOM 602 HA2 GLY 39 20.942 -27.409 20.341 1.00 41.52 ATOM 603 C GLY 39 20.288 -25.708 21.443 1.00 55.13 ATOM 604 O GLY 39 20.138 -26.360 22.477 1.00 53.54 ATOM 605 N PHE 40 19.905 -24.441 21.325 1.00 54.22 ATOM 606 HN PHE 40 20.061 -23.964 20.475 1.00 38.48 ATOM 607 CA PHE 40 19.273 -23.727 22.429 1.00 61.14 ATOM 608 HA PHE 40 19.984 -23.670 23.242 1.00 52.52 ATOM 609 CB PHE 40 18.900 -22.307 21.998 1.00 33.03 ATOM 610 HB1 PHE 40 18.336 -22.359 21.076 1.00 38.48 ATOM 611 HB2 PHE 40 19.809 -21.747 21.817 1.00 50.21 ATOM 612 CG PHE 40 18.082 -21.567 23.018 1.00 31.21 ATOM 613 CD1 PHE 40 18.697 -20.874 24.048 1.00 41.20 ATOM 614 HD1 PHE 40 19.776 -20.865 24.117 1.00 61.13 ATOM 615 CD2 PHE 40 16.698 -21.565 22.947 1.00 43.24 ATOM 616 HD2 PHE 40 16.203 -22.102 22.149 1.00 11.42 ATOM 617 CE1 PHE 40 17.947 -20.193 24.988 1.00 12.01 ATOM 618 HE1 PHE 40 18.438 -19.657 25.786 1.00 41.24 ATOM 619 CE2 PHE 40 15.943 -20.885 23.884 1.00 73.43 ATOM 620 HE2 PHE 40 14.865 -20.891 23.817 1.00 71.34 ATOM 621 CZ PHE 40 16.568 -20.198 24.905 1.00 0.31 ATOM 622 HZ PHE 40 15.980 -19.667 25.639 1.00 53.24 ATOM 623 C PHE 40 18.030 -24.467 22.914 1.00 1.13 ATOM 624 O PHE 40 17.621 -24.327 24.068 1.00 41.53 ATOM 625 N LEU 41 17.433 -25.254 22.027 1.00 62.45 ATOM 626 HN LEU 41 17.765 -25.298 21.104 1.00 38.48 ATOM 627 CA LEU 41 16.236 -26.017 22.363 1.00 11.11 ATOM 628 HA LEU 41 15.642 -25.430 23.045 1.00 73.12 ATOM 629 CB LEU 41 15.425 -26.315 21.101 1.00 44.15 ATOM 630 HB1 LEU 41 14.843 -27.219 21.258 1.00 38.48 ATOM 631 HB2 LEU 41 16.127 -26.503 20.300 1.00 64.23 ATOM 632 CG LEU 41 14.468 -25.214 20.642 1.00 44.11 ATOM 633 HG LEU 41 15.027 -24.302 20.500 1.00 41.43 ATOM 634 CD1 LEU 41 13.828 -25.583 19.313 1.00 41.23 ATOM 635 HD11 LEU 41 13.233 -24.762 18.972 1.00 1.11 ATOM 636 HD12 LEU 41 13.202 -26.456 19.437 1.00 45.50 ATOM 637 HD13 LEU 41 14.596 -25.796 18.587 1.00 21.25 ATOM 638 CD2 LEU 41 13.402 -24.960 21.698 1.00 61.45 ATOM 639 HD21 LEU 41 13.861 -24.605 22.606 1.00 61.13 ATOM 640 HD22 LEU 41 12.863 -25.874 21.900 1.00 63.15 ATOM 641 HD23 LEU 41 12.708 -24.211 21.339 1.00 1.12 ATOM 642 C LEU 41 16.600 -27.320 23.067 1.00 64.44 ATOM 643 O LEU 41 16.057 -27.638 24.124 1.00 73.52 ATOM 644 N GLN 42 17.525 -28.069 22.473 1.00 12.42 ATOM 645 HN GLN 42 17.920 -27.763 21.621 1.00 38.48 ATOM 646 CA GLN 42 17.963 -29.337 23.044 1.00 14.35 ATOM 647 HA GLN 42 17.132 -30.026 22.996 1.00 51.43 ATOM 648 CB GLN 42 19.130 -29.908 22.238 1.00 51.24 ATOM 649 HB1 GLN 42 19.975 -29.234 22.305 1.00 38.48 ATOM 650 HB2 GLN 42 18.825 -29.975 21.203 1.00 53.12 ATOM 651 CG GLN 42 19.560 -31.294 22.688 1.00 25.34 ATOM 652 HG1 GLN 42 19.991 -31.804 21.839 1.00 38.48 ATOM 653 HG2 GLN 42 18.695 -31.850 23.027 1.00 55.42 ATOM 654 CD GLN 42 20.598 -31.253 23.792 1.00 5.24 ATOM 655 OE1 GLN 42 21.734 -30.829 23.577 1.00 43.31 ATOM 656 NE2 GLN 42 20.213 -31.694 24.984 1.00 4.13 ATOM 657 HE21 GLN 42 19.293 -32.022 25.102 1.00 22.40 ATOM 658 HE22 GLN 42 20.871 -31.675 25.710 1.00 61.33 ATOM 659 C GLN 42 18.374 -29.164 24.503 1.00 53.31 ATOM 660 O GLN 42 18.008 -29.967 25.360 1.00 30.14 ATOM 661 N ALA 43 19.136 -28.110 24.777 1.00 64.44 ATOM 662 HN ALA 43 19.400 -27.499 24.048 1.00 38.48 ATOM 663 CA ALA 43 19.596 -27.831 26.132 1.00 73.25 ATOM 664 HA ALA 43 19.991 -28.747 26.556 1.00 73.25 ATOM 665 CB ALA 43 20.722 -26.808 26.107 1.00 74.02 ATOM 666 HB1 ALA 43 20.355 -25.872 25.708 1.00 74.11 ATOM 667 HB2 ALA 43 21.523 -27.174 25.481 1.00 45.32 ATOM 668 HB3 ALA 43 21.094 -26.652 27.110 1.00 33.24 ATOM 669 C ALA 43 18.450 -27.339 27.009 1.00 0.21 ATOM 670 O ALA 43 18.278 -27.799 28.138 1.00 71.23 ATOM 671 N SER 44 17.669 -26.400 26.484 1.00 64.14 ATOM 672 HN SER 44 17.858 -26.065 25.575 1.00 38.48 ATOM 673 CA SER 44 16.542 -25.842 27.222 1.00 44.25 ATOM 674 HA SER 44 16.922 -25.397 28.132 1.00 23.41 ATOM 675 CB SER 44 15.851 -24.757 26.394 1.00 52.21 ATOM 676 HB1 SER 44 15.816 -25.064 25.360 1.00 38.48 ATOM 677 HB2 SER 44 16.398 -23.831 26.479 1.00 51.22 ATOM 678 OG SER 44 14.521 -24.547 26.837 1.00 3.13 ATOM 679 HG SER 44 14.510 -24.397 27.786 1.00 40.50 ATOM 680 C SER 44 15.541 -26.932 27.590 1.00 32.11 ATOM 681 O SER 44 14.804 -26.810 28.570 1.00 45.21 ATOM 682 N LEU 45 15.519 -27.998 26.798 1.00 32.41 ATOM 683 HN LEU 45 16.099 -28.042 26.006 1.00 38.48 ATOM 684 CA LEU 45 14.608 -29.112 27.039 1.00 30.15 ATOM 685 HA LEU 45 13.834 -28.799 27.729 1.00 30.13 ATOM 686 CB LEU 45 13.937 -29.540 25.733 1.00 15.23 ATOM 687 HB1 LEU 45 13.182 -30.278 25.968 1.00 38.48 ATOM 688 HB2 LEU 45 14.691 -30.015 25.121 1.00 24.04 ATOM 689 CG LEU 45 13.294 -28.422 24.911 1.00 4.23 ATOM 690 HG LEU 45 13.784 -27.481 25.115 1.00 42.11 ATOM 691 CD1 LEU 45 13.448 -28.697 23.424 1.00 62.34 ATOM 692 HD11 LEU 45 14.469 -28.937 23.189 1.00 31.42 ATOM 693 HD12 LEU 45 13.147 -27.827 22.863 1.00 74.34 ATOM 694 HD13 LEU 45 12.824 -29.535 23.147 1.00 74.24 ATOM 695 CD2 LEU 45 11.826 -28.267 25.278 1.00 54.43 ATOM 696 HD21 LEU 45 11.296 -29.184 25.060 1.00 13.21 ATOM 697 HD22 LEU 45 11.392 -27.458 24.706 1.00 30.50 ATOM 698 HD23 LEU 45 11.738 -28.044 26.332 1.00 44.35 ATOM 699 C LEU 45 15.346 -30.296 27.656 1.00 5.33 ATOM 700 O LEU 45 14.866 -31.429 27.621 1.00 55.50 ATOM 701 N LYS 46 16.517 -30.025 28.223 1.00 23.43 ATOM 702 HN LYS 46 16.844 -29.108 28.264 1.00 38.48 ATOM 703 CA LYS 46 17.322 -31.066 28.852 1.00 60.32 ATOM 704 HA LYS 46 17.330 -31.930 28.196 1.00 61.33 ATOM 705 CB LYS 46 18.760 -30.580 29.047 1.00 13.25 ATOM 706 HB1 LYS 46 18.785 -29.838 29.836 1.00 38.48 ATOM 707 HB2 LYS 46 19.094 -30.121 28.127 1.00 61.10 ATOM 708 CG LYS 46 19.737 -31.691 29.391 1.00 75.14 ATOM 709 HG1 LYS 46 19.822 -32.355 28.542 1.00 38.48 ATOM 710 HG2 LYS 46 19.348 -32.236 30.235 1.00 42.22 ATOM 711 CD LYS 46 21.112 -31.140 29.727 1.00 21.33 ATOM 712 HD1 LYS 46 21.017 -30.142 30.140 1.00 38.48 ATOM 713 HD2 LYS 46 21.701 -31.096 28.823 1.00 15.34 ATOM 714 CE LYS 46 21.828 -32.014 30.745 1.00 25.24 ATOM 715 HE1 LYS 46 21.119 -32.476 31.410 1.00 38.48 ATOM 716 HE2 LYS 46 22.486 -31.382 31.324 1.00 74.22 ATOM 717 NZ LYS 46 22.651 -33.069 30.090 1.00 12.22 ATOM 718 HZ1 LYS 46 23.376 -32.636 29.480 1.00 14.52 ATOM 719 HZ2 LYS 46 22.050 -33.690 29.509 1.00 51.21 ATOM 720 HZ3 LYS 46 23.126 -33.648 30.813 1.00 61.13 ATOM 721 C LYS 46 16.726 -31.478 30.194 1.00 24.23 ATOM 722 O LYS 46 16.387 -32.643 30.402 1.00 34.10 ATOM 723 N ASP 47 16.602 -30.516 31.101 1.00 14.42 ATOM 724 HN ASP 47 16.870 -29.599 30.858 1.00 38.48 ATOM 725 CA ASP 47 16.044 -30.778 32.423 1.00 23.10 ATOM 726 HA ASP 47 16.711 -31.454 32.939 1.00 64.31 ATOM 727 CB ASP 47 15.941 -29.479 33.224 1.00 45.03 ATOM 728 HB1 ASP 47 15.683 -29.714 34.246 1.00 38.48 ATOM 729 HB2 ASP 47 15.169 -28.851 32.798 1.00 12.14 ATOM 730 CG ASP 47 17.240 -28.696 33.227 1.00 71.42 ATOM 731 OD1 ASP 47 18.210 -29.159 33.863 1.00 73.44 ATOM 732 OD2 ASP 47 17.286 -27.620 32.594 1.00 22.50 ATOM 733 C ASP 47 14.671 -31.433 32.313 1.00 12.35 ATOM 734 O ASP 47 14.367 -32.385 33.030 1.00 32.05 ATOM 735 N GLY 48 13.844 -30.914 31.411 1.00 54.21 ATOM 736 HN GLY 48 14.124 -30.145 30.865 1.00 38.48 ATOM 737 CA GLY 48 12.512 -31.459 31.225 1.00 72.51 ATOM 738 HA1 GLY 48 12.495 -32.508 31.490 1.00 38.48 ATOM 739 HA2 GLY 48 12.253 -31.369 30.180 1.00 34.13 ATOM 740 C GLY 48 11.465 -30.725 32.039 1.00 24.03 ATOM 741 O GLY 48 10.271 -30.819 31.758 1.00 35.22 ATOM 742 N VAL 49 11.914 -29.992 33.053 1.00 0.14 ATOM 743 HN VAL 49 12.869 -29.923 33.215 1.00 38.48 ATOM 744 CA VAL 49 11.008 -29.239 33.912 1.00 12.20 ATOM 745 HA VAL 49 10.406 -29.948 34.465 1.00 55.10 ATOM 746 CB VAL 49 11.783 -28.367 34.918 1.00 34.22 ATOM 747 HB VAL 49 12.386 -27.657 34.367 1.00 23.22 ATOM 748 CG1 VAL 49 10.820 -27.588 35.802 1.00 44.13 ATOM 749 HG11 VAL 49 10.099 -28.263 36.245 1.00 0.22 ATOM 750 HG12 VAL 49 10.304 -26.842 35.218 1.00 55.35 ATOM 751 HG13 VAL 49 11.371 -27.091 36.590 1.00 33.41 ATOM 752 CG2 VAL 49 12.715 -29.226 35.759 1.00 31.02 ATOM 753 HG21 VAL 49 13.478 -29.659 35.133 1.00 73.41 ATOM 754 HG22 VAL 49 12.149 -30.011 36.226 1.00 60.33 ATOM 755 HG23 VAL 49 13.185 -28.619 36.522 1.00 44.01 ATOM 756 C VAL 49 10.085 -28.347 33.089 1.00 71.10 ATOM 757 O VAL 49 8.962 -28.051 33.499 1.00 45.24 ATOM 758 N VAL 50 10.565 -27.922 31.925 1.00 44.13 ATOM 759 HN VAL 50 11.485 -28.144 31.659 1.00 38.48 ATOM 760 CA VAL 50 9.783 -27.065 31.042 1.00 41.10 ATOM 761 HA VAL 50 9.229 -26.360 31.646 1.00 71.13 ATOM 762 CB VAL 50 10.690 -26.266 30.087 1.00 11.11 ATOM 763 HB VAL 50 11.269 -26.964 29.498 1.00 64.05 ATOM 764 CG1 VAL 50 9.854 -25.422 29.137 1.00 35.22 ATOM 765 HG11 VAL 50 10.514 -24.840 28.513 1.00 22.12 ATOM 766 HG12 VAL 50 9.216 -24.757 29.701 1.00 53.10 ATOM 767 HG13 VAL 50 9.249 -26.055 28.506 1.00 44.23 ATOM 768 CG2 VAL 50 11.657 -25.396 30.875 1.00 2.42 ATOM 769 HG21 VAL 50 12.251 -26.015 31.533 1.00 60.11 ATOM 770 HG22 VAL 50 11.105 -24.676 31.463 1.00 22.33 ATOM 771 HG23 VAL 50 12.312 -24.876 30.195 1.00 61.41 ATOM 772 C VAL 50 8.792 -27.881 30.220 1.00 61.20 ATOM 773 O VAL 50 7.689 -27.422 29.922 1.00 14.23 ATOM 774 N LEU 51 9.192 -29.094 29.856 1.00 60.51 ATOM 775 HN LEU 51 10.096 -29.398 30.093 1.00 38.48 ATOM 776 CA LEU 51 8.339 -29.977 29.068 1.00 74.02 ATOM 777 HA LEU 51 8.129 -29.480 28.133 1.00 33.53 ATOM 778 CB LEU 51 9.052 -31.304 28.801 1.00 15.14 ATOM 779 HB1 LEU 51 8.320 -32.094 28.764 1.00 38.48 ATOM 780 HB2 LEU 51 9.709 -31.509 29.630 1.00 61.30 ATOM 781 CG LEU 51 9.879 -31.375 27.518 1.00 71.45 ATOM 782 HG LEU 51 10.611 -30.580 27.525 1.00 50.53 ATOM 783 CD1 LEU 51 10.625 -32.698 27.436 1.00 4.15 ATOM 784 HD11 LEU 51 9.922 -33.520 27.470 1.00 50.43 ATOM 785 HD12 LEU 51 11.301 -32.766 28.270 1.00 65.12 ATOM 786 HD13 LEU 51 11.187 -32.742 26.515 1.00 52.21 ATOM 787 CD2 LEU 51 8.988 -31.188 26.298 1.00 43.10 ATOM 788 HD21 LEU 51 9.337 -30.332 25.739 1.00 32.41 ATOM 789 HD22 LEU 51 7.965 -31.016 26.592 1.00 33.12 ATOM 790 HD23 LEU 51 9.028 -32.060 25.659 1.00 5.11 ATOM 791 C LEU 51 7.014 -30.232 29.780 1.00 61.30 ATOM 792 O LEU 51 5.943 -29.971 29.232 1.00 53.33 ATOM 793 N CYS 52 7.095 -30.742 31.004 1.00 43.01 ATOM 794 HN CYS 52 7.985 -30.936 31.386 1.00 38.48 ATOM 795 CA CYS 52 5.903 -31.031 31.792 1.00 34.23 ATOM 796 HA CYS 52 5.366 -31.829 31.297 1.00 23.55 ATOM 797 CB CYS 52 6.293 -31.468 33.205 1.00 3.41 ATOM 798 HB1 CYS 52 5.578 -31.088 33.925 1.00 38.48 ATOM 799 HB2 CYS 52 7.268 -31.073 33.440 1.00 14.24 ATOM 800 SG CYS 52 6.370 -33.260 33.429 1.00 22.22 ATOM 801 HG CYS 52 7.644 -33.602 33.552 1.00 62.21 ATOM 802 C CYS 52 4.986 -29.814 31.858 1.00 0.02 ATOM 803 O CYS 52 3.766 -29.936 31.746 1.00 21.42 ATOM 804 N ARG 53 5.582 -28.640 32.042 1.00 32.42 ATOM 805 HN ARG 53 6.563 -28.602 32.137 1.00 38.48 ATOM 806 CA ARG 53 4.819 -27.401 32.126 1.00 13.11 ATOM 807 HA ARG 53 4.127 -27.487 32.954 1.00 64.32 ATOM 808 CB ARG 53 5.754 -26.217 32.379 1.00 62.21 ATOM 809 HB1 ARG 53 5.199 -25.293 32.267 1.00 38.48 ATOM 810 HB2 ARG 53 6.543 -26.239 31.646 1.00 2.02 ATOM 811 CG ARG 53 6.377 -26.219 33.765 1.00 4.32 ATOM 812 HG1 ARG 53 6.803 -27.189 33.964 1.00 38.48 ATOM 813 HG2 ARG 53 5.606 -26.011 34.492 1.00 61.21 ATOM 814 CD ARG 53 7.463 -25.161 33.889 1.00 11.12 ATOM 815 HD1 ARG 53 7.060 -24.203 33.588 1.00 38.48 ATOM 816 HD2 ARG 53 8.277 -25.427 33.237 1.00 70.50 ATOM 817 NE ARG 53 7.965 -25.049 35.256 1.00 30.50 ATOM 818 HE ARG 53 7.504 -25.562 35.961 1.00 70.12 ATOM 819 CZ ARG 53 9.003 -24.295 35.598 1.00 2.23 ATOM 820 NH1 ARG 53 9.646 -23.588 34.678 1.00 35.53 ATOM 821 HH11 ARG 53 9.367 -23.605 33.719 1.00 73.14 ATOM 822 HH12 ARG 53 10.429 -23.022 34.946 1.00 63.00 ATOM 823 NH2 ARG 53 9.400 -24.245 36.863 1.00 25.24 ATOM 824 HH21 ARG 53 8.918 -24.776 37.563 1.00 75.12 ATOM 825 HH22 ARG 53 10.183 -23.677 37.124 1.00 72.30 ATOM 826 C ARG 53 4.019 -27.167 30.848 1.00 62.23 ATOM 827 O ARG 53 2.843 -26.804 30.896 1.00 42.22 ATOM 828 N LEU 54 4.665 -27.377 29.706 1.00 74.22 ATOM 829 HN LEU 54 5.612 -27.655 29.728 1.00 38.48 ATOM 830 CA LEU 54 4.014 -27.189 28.414 1.00 63.15 ATOM 831 HA LEU 54 3.754 -26.147 28.315 1.00 13.54 ATOM 832 CB LEU 54 4.969 -27.569 27.280 1.00 33.11 ATOM 833 HB1 LEU 54 5.415 -28.516 27.530 1.00 38.48 ATOM 834 HB2 LEU 54 5.757 -26.829 27.240 1.00 23.31 ATOM 835 CG LEU 54 4.344 -27.693 25.890 1.00 41.11 ATOM 836 HG LEU 54 3.467 -28.320 25.934 1.00 70.11 ATOM 837 CD1 LEU 54 3.914 -26.328 25.374 1.00 20.24 ATOM 838 HD11 LEU 54 3.221 -25.877 26.071 1.00 2.42 ATOM 839 HD12 LEU 54 3.430 -26.440 24.416 1.00 0.41 ATOM 840 HD13 LEU 54 4.781 -25.692 25.267 1.00 23.14 ATOM 841 CD2 LEU 54 5.320 -28.347 24.923 1.00 43.11 ATOM 842 HD21 LEU 54 6.252 -27.798 24.917 1.00 3.44 ATOM 843 HD22 LEU 54 4.910 -28.347 23.941 1.00 5.44 ATOM 844 HD23 LEU 54 5.507 -29.364 25.234 1.00 25.33 ATOM 845 C LEU 54 2.739 -28.020 28.320 1.00 73.23 ATOM 846 O LEU 54 1.691 -27.524 27.904 1.00 13.23 ATOM 847 N LEU 55 2.834 -29.286 28.710 1.00 31.40 ATOM 848 HN LEU 55 3.703 -29.631 29.027 1.00 38.48 ATOM 849 CA LEU 55 1.687 -30.187 28.672 1.00 13.24 ATOM 850 HA LEU 55 1.357 -30.249 27.646 1.00 12.00 ATOM 851 CB LEU 55 2.091 -31.580 29.157 1.00 21.21 ATOM 852 HB1 LEU 55 2.469 -31.489 30.167 1.00 38.48 ATOM 853 HB2 LEU 55 2.898 -31.925 28.523 1.00 50.03 ATOM 854 CG LEU 55 0.988 -32.639 29.152 1.00 60.14 ATOM 855 HG LEU 55 0.231 -32.366 29.873 1.00 45.52 ATOM 856 CD1 LEU 55 0.327 -32.715 27.784 1.00 44.51 ATOM 857 HD11 LEU 55 -0.442 -33.475 27.797 1.00 20.43 ATOM 858 HD12 LEU 55 1.061 -32.966 27.045 1.00 20.32 ATOM 859 HD13 LEU 55 -0.117 -31.770 27.533 1.00 24.01 ATOM 860 CD2 LEU 55 1.549 -33.996 29.550 1.00 24.23 ATOM 861 HD21 LEU 55 2.610 -33.933 29.737 1.00 42.43 ATOM 862 HD22 LEU 55 1.384 -34.714 28.759 1.00 4.21 ATOM 863 HD23 LEU 55 1.049 -34.337 30.442 1.00 55.44 ATOM 864 C LEU 55 0.545 -29.650 29.529 1.00 55.32 ATOM 865 O LEU 55 -0.625 -29.918 29.258 1.00 55.20 ATOM 866 N GLU 56 0.893 -28.889 30.562 1.00 41.45 ATOM 867 HN GLU 56 1.840 -28.739 30.758 1.00 38.48 ATOM 868 CA GLU 56 -0.104 -28.313 31.456 1.00 0.22 ATOM 869 HA GLU 56 -0.859 -29.066 31.654 1.00 12.41 ATOM 870 CB GLU 56 0.546 -27.886 32.774 1.00 65.40 ATOM 871 HB1 GLU 56 0.104 -26.952 33.105 1.00 38.48 ATOM 872 HB2 GLU 56 1.601 -27.729 32.626 1.00 34.11 ATOM 873 CG GLU 56 0.387 -28.906 33.889 1.00 24.02 ATOM 874 HG1 GLU 56 1.208 -29.606 33.836 1.00 38.48 ATOM 875 HG2 GLU 56 -0.547 -29.439 33.765 1.00 42.25 ATOM 876 CD GLU 56 0.383 -28.269 35.265 1.00 21.44 ATOM 877 OE1 GLU 56 -0.624 -27.619 35.616 1.00 63.40 ATOM 878 OE2 GLU 56 1.387 -28.422 35.992 1.00 4.01 ATOM 879 C GLU 56 -0.792 -27.116 30.806 1.00 74.43 ATOM 880 O GLU 56 -1.932 -26.788 31.135 1.00 12.13 ATOM 881 N ARG 57 -0.092 -26.469 29.881 1.00 44.14 ATOM 882 HN ARG 57 0.820 -26.757 29.675 1.00 38.48 ATOM 883 CA ARG 57 -0.634 -25.308 29.185 1.00 64.02 ATOM 884 HA ARG 57 -1.047 -24.631 29.925 1.00 43.20 ATOM 885 CB ARG 57 0.470 -24.595 28.402 1.00 42.23 ATOM 886 HB1 ARG 57 0.088 -24.271 27.441 1.00 38.48 ATOM 887 HB2 ARG 57 1.292 -25.267 28.230 1.00 54.14 ATOM 888 CG ARG 57 1.019 -23.365 29.106 1.00 25.12 ATOM 889 HG1 ARG 57 0.233 -22.628 29.188 1.00 38.48 ATOM 890 HG2 ARG 57 1.834 -22.962 28.523 1.00 5.43 ATOM 891 CD ARG 57 1.529 -23.702 30.499 1.00 52.11 ATOM 892 HD1 ARG 57 2.276 -24.473 30.428 1.00 38.48 ATOM 893 HD2 ARG 57 0.700 -24.063 31.091 1.00 2.21 ATOM 894 NE ARG 57 2.099 -22.537 31.170 1.00 44.24 ATOM 895 HE ARG 57 2.252 -21.724 30.633 1.00 41.32 ATOM 896 CZ ARG 57 2.425 -22.516 32.457 1.00 23.52 ATOM 897 NH1 ARG 57 2.238 -23.592 33.209 1.00 62.51 ATOM 898 HH11 ARG 57 1.855 -24.433 32.832 1.00 45.21 ATOM 899 HH12 ARG 57 2.486 -23.566 34.180 1.00 45.10 ATOM 900 NH2 ARG 57 2.940 -21.418 32.995 1.00 31.13 ATOM 901 HH21 ARG 57 3.085 -20.601 32.432 1.00 74.13 ATOM 902 HH22 ARG 57 3.186 -21.400 33.966 1.00 14.33 ATOM 903 C ARG 57 -1.759 -25.717 28.240 1.00 74.44 ATOM 904 O ARG 57 -2.903 -25.286 28.395 1.00 22.41 ATOM 905 N LEU 58 -1.428 -26.551 27.260 1.00 73.21 ATOM 906 HN LEU 58 -0.510 -26.906 27.230 1.00 38.48 ATOM 907 CA LEU 58 -2.411 -27.019 26.288 1.00 0.05 ATOM 908 HA LEU 58 -3.006 -26.172 25.966 1.00 2.14 ATOM 909 CB LEU 58 -1.707 -27.612 25.067 1.00 52.14 ATOM 910 HB1 LEU 58 -2.427 -27.675 24.262 1.00 38.48 ATOM 911 HB2 LEU 58 -1.390 -28.621 25.316 1.00 44.33 ATOM 912 CG LEU 58 -0.482 -26.849 24.562 1.00 25.33 ATOM 913 HG LEU 58 0.226 -26.722 25.363 1.00 13.43 ATOM 914 CD1 LEU 58 0.219 -27.633 23.463 1.00 4.52 ATOM 915 HD11 LEU 58 1.260 -27.365 23.460 1.00 24.43 ATOM 916 HD12 LEU 58 -0.215 -27.405 22.498 1.00 3.33 ATOM 917 HD13 LEU 58 0.132 -28.693 23.649 1.00 31.00 ATOM 918 CD2 LEU 58 -0.881 -25.468 24.064 1.00 64.00 ATOM 919 HD21 LEU 58 -0.008 -24.951 23.696 1.00 51.41 ATOM 920 HD22 LEU 58 -1.317 -24.901 24.874 1.00 1.52 ATOM 921 HD23 LEU 58 -1.598 -25.567 23.269 1.00 42.30 ATOM 922 C LEU 58 -3.338 -28.059 26.910 1.00 54.44 ATOM 923 O LEU 58 -4.548 -28.046 26.676 1.00 2.22 ATOM 924 N LEU 59 -2.765 -28.956 27.703 1.00 61.50 ATOM 925 HN LEU 59 -1.793 -28.933 27.853 1.00 38.48 ATOM 926 CA LEU 59 -3.540 -30.003 28.361 1.00 53.34 ATOM 927 HA LEU 59 -4.575 -29.907 28.087 1.00 62.23 ATOM 928 CB LEU 59 -3.046 -31.383 27.923 1.00 54.44 ATOM 929 HB1 LEU 59 -3.369 -32.112 28.651 1.00 38.48 ATOM 930 HB2 LEU 59 -1.980 -31.363 27.921 1.00 4.35 ATOM 931 CG LEU 59 -3.521 -31.861 26.550 1.00 42.32 ATOM 932 HG LEU 59 -3.182 -31.164 25.797 1.00 43.42 ATOM 933 CD1 LEU 59 -2.931 -33.224 26.226 1.00 24.53 ATOM 934 HD11 LEU 59 -3.211 -33.936 26.990 1.00 22.45 ATOM 935 HD12 LEU 59 -1.857 -33.149 26.180 1.00 21.20 ATOM 936 HD13 LEU 59 -3.302 -33.563 25.268 1.00 11.41 ATOM 937 CD2 LEU 59 -5.041 -31.909 26.498 1.00 22.40 ATOM 938 HD21 LEU 59 -5.419 -32.506 27.317 1.00 32.14 ATOM 939 HD22 LEU 59 -5.359 -32.348 25.561 1.00 35.42 ATOM 940 HD23 LEU 59 -5.440 -30.911 26.566 1.00 41.14 ATOM 941 C LEU 59 -3.450 -29.875 29.878 1.00 64.51 ATOM 942 O LEU 59 -2.776 -30.655 30.552 1.00 60.34 ATOM 943 N PRO 60 -4.145 -28.871 30.430 1.00 13.43 ATOM 944 CA PRO 60 -4.162 -28.619 31.874 1.00 25.24 ATOM 945 HA PRO 60 -3.161 -28.528 32.271 1.00 15.52 ATOM 946 CB PRO 60 -4.880 -27.273 31.992 1.00 10.30 ATOM 947 HB1 PRO 60 -4.155 -26.477 32.013 1.00 38.48 ATOM 948 HB2 PRO 60 -5.479 -27.234 32.894 1.00 62.24 ATOM 949 CG PRO 60 -5.730 -27.189 30.771 1.00 30.04 ATOM 950 HG1 PRO 60 -5.884 -26.155 30.501 1.00 38.48 ATOM 951 HG2 PRO 60 -6.677 -27.677 30.949 1.00 65.40 ATOM 952 CD PRO 60 -4.970 -27.903 29.688 1.00 40.42 ATOM 953 HD1 PRO 60 -4.354 -27.200 29.155 1.00 38.48 ATOM 954 HD2 PRO 60 -5.656 -28.397 29.019 1.00 50.32 ATOM 955 C PRO 60 -4.920 -29.697 32.642 1.00 52.41 ATOM 956 O PRO 60 -6.143 -29.793 32.550 1.00 72.33 ATOM 957 N GLY 61 -4.186 -30.505 33.400 1.00 23.02 ATOM 958 HN GLY 61 -3.217 -30.361 33.472 1.00 38.48 ATOM 959 CA GLY 61 -4.807 -31.565 34.173 1.00 50.31 ATOM 960 HA1 GLY 61 -5.883 -31.556 34.046 1.00 38.48 ATOM 961 HA2 GLY 61 -4.587 -31.398 35.217 1.00 63.53 ATOM 962 C GLY 61 -4.291 -32.938 33.793 1.00 60.41 ATOM 963 O GLY 61 -4.925 -33.952 34.087 1.00 31.25 ATOM 964 N THR 62 -3.136 -32.974 33.135 1.00 74.03 ATOM 965 HN THR 62 -2.658 -32.149 32.923 1.00 38.48 ATOM 966 CA THR 62 -2.537 -34.233 32.711 1.00 3.00 ATOM 967 HA THR 62 -3.266 -35.029 32.827 1.00 74.42 ATOM 968 CB THR 62 -2.118 -34.185 31.229 1.00 34.43 ATOM 969 HB THR 62 -1.233 -33.569 31.128 1.00 72.43 ATOM 970 OG1 THR 62 -3.166 -33.607 30.443 1.00 70.22 ATOM 971 HG1 THR 62 -3.980 -34.122 30.518 1.00 70.04 ATOM 972 CG2 THR 62 -1.800 -35.580 30.712 1.00 62.10 ATOM 973 HG21 THR 62 -1.557 -35.524 29.661 1.00 52.44 ATOM 974 HG22 THR 62 -2.658 -36.223 30.846 1.00 40.42 ATOM 975 HG23 THR 62 -0.958 -35.986 31.252 1.00 5.34 ATOM 976 C THR 62 -1.318 -34.575 33.561 1.00 51.24 ATOM 977 O THR 62 -1.100 -35.735 33.911 1.00 40.00 ATOM 978 N ILE 63 -0.528 -33.559 33.889 1.00 3.50 ATOM 979 HN ILE 63 -0.739 -32.652 33.574 1.00 38.48 ATOM 980 CA ILE 63 0.668 -33.752 34.700 1.00 61.45 ATOM 981 HA ILE 63 1.153 -34.669 34.376 1.00 63.23 ATOM 982 CB ILE 63 1.666 -32.593 34.517 1.00 31.51 ATOM 983 HB ILE 63 1.188 -31.676 34.833 1.00 44.10 ATOM 984 CG1 ILE 63 2.065 -32.462 33.046 1.00 65.50 ATOM 985 HG11 ILE 63 2.729 -31.624 32.940 1.00 38.48 ATOM 986 HG12 ILE 63 1.184 -32.291 32.445 1.00 21.40 ATOM 987 CG2 ILE 63 2.894 -32.810 35.388 1.00 64.20 ATOM 988 HG21 ILE 63 2.645 -32.614 36.420 1.00 72.42 ATOM 989 HG22 ILE 63 3.683 -32.133 35.087 1.00 51.11 ATOM 990 HG23 ILE 63 3.245 -33.829 35.293 1.00 74.14 ATOM 991 CD1 ILE 63 2.772 -33.684 32.501 1.00 50.24 ATOM 992 HD11 ILE 63 3.245 -33.426 31.571 1.00 22.42 ATOM 993 HD12 ILE 63 2.059 -34.475 32.339 1.00 30.52 ATOM 994 HD13 ILE 63 3.523 -34.018 33.187 1.00 43.05 ATOM 995 C ILE 63 0.316 -33.877 36.178 1.00 71.21 ATOM 996 O ILE 63 -0.059 -32.898 36.821 1.00 55.40 ATOM 997 N GLU 64 0.442 -35.089 36.711 1.00 53.25 ATOM 998 HN GLU 64 0.759 -35.836 36.148 1.00 38.48 ATOM 999 CA GLU 64 0.137 -35.341 38.114 1.00 3.21 ATOM 1000 HA GLU 64 -0.789 -34.835 38.360 1.00 10.55 ATOM 1001 CB GLU 64 -0.048 -36.840 38.357 1.00 34.04 ATOM 1002 HB1 GLU 64 0.804 -37.366 37.952 1.00 38.48 ATOM 1003 HB2 GLU 64 -0.940 -37.164 37.837 1.00 61.25 ATOM 1004 CG GLU 64 -0.181 -37.206 39.826 1.00 22.51 ATOM 1005 HG1 GLU 64 -0.925 -36.569 40.284 1.00 38.48 ATOM 1006 HG2 GLU 64 0.770 -37.059 40.315 1.00 71.23 ATOM 1007 CD GLU 64 -0.594 -38.651 40.032 1.00 13.20 ATOM 1008 OE1 GLU 64 -0.240 -39.495 39.183 1.00 24.52 ATOM 1009 OE2 GLU 64 -1.272 -38.936 41.041 1.00 72.31 ATOM 1010 C GLU 64 1.244 -34.801 39.016 1.00 33.31 ATOM 1011 O GLU 64 0.982 -34.312 40.115 1.00 15.11 ATOM 1012 N LYS 65 2.482 -34.895 38.544 1.00 41.31 ATOM 1013 HN LYS 65 2.642 -35.326 37.672 1.00 38.48 ATOM 1014 CA LYS 65 3.630 -34.416 39.305 1.00 31.32 ATOM 1015 HA LYS 65 3.351 -33.488 39.793 1.00 34.12 ATOM 1016 CB LYS 65 4.028 -35.444 40.367 1.00 64.35 ATOM 1017 HB1 LYS 65 4.580 -36.253 39.904 1.00 38.48 ATOM 1018 HB2 LYS 65 3.123 -35.850 40.803 1.00 52.33 ATOM 1019 CG LYS 65 4.876 -34.865 41.486 1.00 31.42 ATOM 1020 HG1 LYS 65 4.421 -33.952 41.847 1.00 38.48 ATOM 1021 HG2 LYS 65 5.859 -34.653 41.097 1.00 72.23 ATOM 1022 CD LYS 65 5.011 -35.840 42.644 1.00 3.01 ATOM 1023 HD1 LYS 65 5.103 -36.850 42.263 1.00 38.48 ATOM 1024 HD2 LYS 65 4.131 -35.769 43.265 1.00 33.24 ATOM 1025 CE LYS 65 6.235 -35.531 43.492 1.00 25.23 ATOM 1026 HE1 LYS 65 7.121 -35.747 42.914 1.00 38.48 ATOM 1027 HE2 LYS 65 6.217 -36.159 44.370 1.00 3.54 ATOM 1028 NZ LYS 65 6.270 -34.105 43.918 1.00 14.33 ATOM 1029 HZ1 LYS 65 6.502 -33.490 43.112 1.00 71.20 ATOM 1030 HZ2 LYS 65 6.997 -33.975 44.650 1.00 24.54 ATOM 1031 HZ3 LYS 65 5.349 -33.814 44.312 1.00 53.51 ATOM 1032 C LYS 65 4.814 -34.135 38.385 1.00 13.45 ATOM 1033 O LYS 65 4.824 -34.548 37.226 1.00 21.30 ATOM 1034 N VAL 66 5.811 -33.429 38.911 1.00 74.24 ATOM 1035 HN VAL 66 5.720 -33.055 39.814 1.00 38.48 ATOM 1036 CA VAL 66 7.001 -33.095 38.137 1.00 14.34 ATOM 1037 HA VAL 66 7.231 -33.937 37.489 1.00 13.41 ATOM 1038 CB VAL 66 6.770 -31.848 37.263 1.00 14.20 ATOM 1039 HB VAL 66 5.803 -31.938 36.788 1.00 51.11 ATOM 1040 CG1 VAL 66 6.764 -30.590 38.118 1.00 43.42 ATOM 1041 HG11 VAL 66 7.772 -30.242 38.277 1.00 53.43 ATOM 1042 HG12 VAL 66 6.296 -30.786 39.074 1.00 1.14 ATOM 1043 HG13 VAL 66 6.204 -29.821 37.606 1.00 75.34 ATOM 1044 CG2 VAL 66 7.828 -31.758 36.174 1.00 52.01 ATOM 1045 HG21 VAL 66 8.771 -31.449 36.599 1.00 63.43 ATOM 1046 HG22 VAL 66 7.525 -31.024 35.458 1.00 65.55 ATOM 1047 HG23 VAL 66 7.952 -32.714 35.693 1.00 31.00 ATOM 1048 C VAL 66 8.197 -32.848 39.049 1.00 1.13 ATOM 1049 O VAL 66 8.038 -32.574 40.239 1.00 20.52 ATOM 1050 N TYR 67 9.395 -32.946 38.484 1.00 51.34 ATOM 1051 HN TYR 67 9.474 -33.212 37.542 1.00 38.48 ATOM 1052 CA TYR 67 10.620 -32.735 39.246 1.00 13.01 ATOM 1053 HA TYR 67 10.388 -32.672 40.295 1.00 24.33 ATOM 1054 CB TYR 67 11.573 -33.917 39.057 1.00 13.52 ATOM 1055 HB1 TYR 67 12.466 -33.752 39.646 1.00 38.48 ATOM 1056 HB2 TYR 67 11.848 -33.983 38.011 1.00 63.53 ATOM 1057 CG TYR 67 10.983 -35.243 39.479 1.00 22.33 ATOM 1058 CD1 TYR 67 11.320 -36.418 38.818 1.00 52.34 ATOM 1059 HD1 TYR 67 12.012 -36.373 38.002 1.00 23.12 ATOM 1060 CD2 TYR 67 10.090 -35.323 40.541 1.00 41.51 ATOM 1061 HD2 TYR 67 9.812 -34.434 41.081 1.00 15.30 ATOM 1062 CE1 TYR 67 10.783 -37.632 39.200 1.00 40.24 ATOM 1063 HE1 TYR 67 11.059 -38.534 38.686 1.00 14.23 ATOM 1064 CE2 TYR 67 9.550 -36.533 40.931 1.00 55.42 ATOM 1065 HE2 TYR 67 8.858 -36.573 41.759 1.00 33.24 ATOM 1066 CZ TYR 67 9.899 -37.684 40.257 1.00 74.23 ATOM 1067 OH TYR 67 9.363 -38.892 40.641 1.00 12.02 ATOM 1068 HH TYR 67 10.031 -39.418 41.092 1.00 14.25 ATOM 1069 C TYR 67 11.308 -31.440 38.825 1.00 54.00 ATOM 1070 O TYR 67 12.230 -31.433 38.010 1.00 63.52 ATOM 1071 N PRO 68 10.849 -30.315 39.394 1.00 31.53 ATOM 1072 CA PRO 68 11.405 -28.993 39.095 1.00 4.31 ATOM 1073 HA PRO 68 11.412 -28.800 38.045 1.00 72.41 ATOM 1074 CB PRO 68 10.433 -28.034 39.787 1.00 71.03 ATOM 1075 HB1 PRO 68 9.681 -27.718 39.080 1.00 38.48 ATOM 1076 HB2 PRO 68 10.954 -27.165 40.170 1.00 31.25 ATOM 1077 CG PRO 68 9.827 -28.837 40.886 1.00 50.33 ATOM 1078 HG1 PRO 68 8.837 -28.467 41.109 1.00 38.48 ATOM 1079 HG2 PRO 68 10.454 -28.789 41.764 1.00 52.42 ATOM 1080 CD PRO 68 9.752 -30.249 40.374 1.00 12.23 ATOM 1081 HD1 PRO 68 8.808 -30.407 39.912 1.00 38.48 ATOM 1082 HD2 PRO 68 9.903 -30.941 41.187 1.00 12.35 ATOM 1083 C PRO 68 12.814 -28.817 39.653 1.00 52.24 ATOM 1084 O PRO 68 13.566 -27.954 39.201 1.00 61.33 ATOM 1085 N GLU 69 13.163 -29.640 40.636 1.00 23.21 ATOM 1086 HN GLU 69 12.522 -30.298 40.984 1.00 38.48 ATOM 1087 CA GLU 69 14.482 -29.574 41.255 1.00 41.14 ATOM 1088 HA GLU 69 15.129 -28.941 40.661 1.00 63.11 ATOM 1089 CB GLU 69 14.384 -28.959 42.652 1.00 0.12 ATOM 1090 HB1 GLU 69 14.213 -27.897 42.546 1.00 38.48 ATOM 1091 HB2 GLU 69 15.322 -29.107 43.176 1.00 55.25 ATOM 1092 CG GLU 69 13.256 -29.534 43.493 1.00 65.34 ATOM 1093 HG1 GLU 69 13.283 -30.613 43.442 1.00 38.48 ATOM 1094 HG2 GLU 69 12.316 -29.183 43.094 1.00 15.31 ATOM 1095 CD GLU 69 13.343 -29.119 44.948 1.00 4.14 ATOM 1096 OE1 GLU 69 13.186 -29.993 45.826 1.00 64.31 ATOM 1097 OE2 GLU 69 13.569 -27.919 45.210 1.00 51.43 ATOM 1098 C GLU 69 15.113 -30.961 41.340 1.00 2.42 ATOM 1099 O GLU 69 15.243 -31.546 42.416 1.00 52.04 ATOM 1100 N PRO 70 15.515 -31.500 40.180 1.00 61.02 ATOM 1101 CA PRO 70 16.139 -32.824 40.096 1.00 1.23 ATOM 1102 HA PRO 70 15.527 -33.572 40.564 1.00 52.12 ATOM 1103 CB PRO 70 16.206 -33.090 38.590 1.00 34.34 ATOM 1104 HB1 PRO 70 15.332 -33.647 38.286 1.00 38.48 ATOM 1105 HB2 PRO 70 17.091 -33.654 38.352 1.00 74.43 ATOM 1106 CG PRO 70 16.223 -31.737 37.967 1.00 62.42 ATOM 1107 HG1 PRO 70 15.790 -31.782 36.979 1.00 38.48 ATOM 1108 HG2 PRO 70 17.237 -31.368 37.917 1.00 74.33 ATOM 1109 CD PRO 70 15.392 -30.859 38.860 1.00 53.21 ATOM 1110 HD1 PRO 70 14.373 -30.843 38.531 1.00 38.48 ATOM 1111 HD2 PRO 70 15.800 -29.860 38.873 1.00 53.52 ATOM 1112 C PRO 70 17.538 -32.845 40.703 1.00 12.32 ATOM 1113 O PRO 70 18.294 -31.881 40.577 1.00 71.42 ATOM 1114 N ARG 71 17.876 -33.949 41.362 1.00 53.53 ATOM 1115 HN ARG 71 17.220 -34.675 41.459 1.00 38.48 ATOM 1116 CA ARG 71 19.184 -34.094 41.989 1.00 51.23 ATOM 1117 HA ARG 71 19.752 -33.180 41.853 1.00 25.23 ATOM 1118 CB ARG 71 19.028 -34.361 43.487 1.00 41.01 ATOM 1119 HB1 ARG 71 19.869 -34.945 43.843 1.00 38.48 ATOM 1120 HB2 ARG 71 18.122 -34.926 43.656 1.00 31.44 ATOM 1121 CG ARG 71 18.963 -33.096 44.328 1.00 75.35 ATOM 1122 HG1 ARG 71 19.898 -32.563 44.231 1.00 38.48 ATOM 1123 HG2 ARG 71 18.808 -33.371 45.361 1.00 61.45 ATOM 1124 CD ARG 71 17.827 -32.189 43.881 1.00 40.21 ATOM 1125 HD1 ARG 71 16.955 -32.780 43.633 1.00 38.48 ATOM 1126 HD2 ARG 71 18.155 -31.654 43.007 1.00 30.45 ATOM 1127 NE ARG 71 17.479 -31.204 44.902 1.00 22.41 ATOM 1128 HE ARG 71 17.822 -30.291 44.783 1.00 1.23 ATOM 1129 CZ ARG 71 16.733 -31.481 45.965 1.00 14.04 ATOM 1130 NH1 ARG 71 16.258 -32.706 46.146 1.00 4.11 ATOM 1131 HH11 ARG 71 16.448 -33.442 45.501 1.00 15.41 ATOM 1132 HH12 ARG 71 15.693 -32.902 46.951 1.00 4.23 ATOM 1133 NH2 ARG 71 16.459 -30.531 46.851 1.00 64.30 ATOM 1134 HH21 ARG 71 16.814 -29.603 46.720 1.00 3.22 ATOM 1135 HH22 ARG 71 15.896 -30.738 47.654 1.00 64.34 ATOM 1136 C ARG 71 19.976 -35.225 41.339 1.00 35.01 ATOM 1137 O ARG 71 21.206 -35.240 41.384 1.00 74.54 ATOM 1138 N SER 72 19.261 -36.170 40.737 1.00 62.33 ATOM 1139 HN SER 72 18.284 -36.137 40.739 1.00 38.48 ATOM 1140 CA SER 72 19.896 -37.308 40.082 1.00 45.23 ATOM 1141 HA SER 72 20.972 -37.201 40.134 1.00 51.23 ATOM 1142 CB SER 72 19.508 -38.610 40.784 1.00 24.15 ATOM 1143 HB1 SER 72 20.108 -39.420 40.401 1.00 38.48 ATOM 1144 HB2 SER 72 18.462 -38.823 40.609 1.00 14.44 ATOM 1145 OG SER 72 19.720 -38.518 42.183 1.00 52.34 ATOM 1146 HG SER 72 18.988 -38.048 42.591 1.00 43.14 ATOM 1147 C SER 72 19.504 -37.375 38.609 1.00 64.02 ATOM 1148 O SER 72 18.832 -36.482 38.094 1.00 61.43 ATOM 1149 N GLU 73 19.930 -38.441 37.938 1.00 43.55 ATOM 1150 HN GLU 73 20.482 -39.119 38.391 1.00 38.48 ATOM 1151 CA GLU 73 19.625 -38.624 36.524 1.00 74.24 ATOM 1152 HA GLU 73 19.681 -37.655 36.038 1.00 32.43 ATOM 1153 CB GLU 73 20.643 -39.566 35.877 1.00 51.41 ATOM 1154 HB1 GLU 73 20.335 -40.594 36.034 1.00 38.48 ATOM 1155 HB2 GLU 73 21.605 -39.418 36.352 1.00 55.32 ATOM 1156 CG GLU 73 20.826 -39.333 34.387 1.00 72.24 ATOM 1157 HG1 GLU 73 21.386 -38.421 34.257 1.00 38.48 ATOM 1158 HG2 GLU 73 19.857 -39.235 33.917 1.00 71.02 ATOM 1159 CD GLU 73 21.581 -40.460 33.709 1.00 73.22 ATOM 1160 OE1 GLU 73 22.583 -40.934 34.284 1.00 74.11 ATOM 1161 OE2 GLU 73 21.169 -40.868 32.603 1.00 72.25 ATOM 1162 C GLU 73 18.215 -39.178 36.339 1.00 33.23 ATOM 1163 O GLU 73 17.485 -38.760 35.441 1.00 73.34 ATOM 1164 N SER 74 17.839 -40.122 37.197 1.00 43.13 ATOM 1165 HN SER 74 18.472 -40.431 37.888 1.00 38.48 ATOM 1166 CA SER 74 16.519 -40.737 37.127 1.00 61.14 ATOM 1167 HA SER 74 16.466 -41.310 36.212 1.00 51.31 ATOM 1168 CB SER 74 16.308 -41.678 38.314 1.00 31.03 ATOM 1169 HB1 SER 74 16.088 -41.107 39.208 1.00 38.48 ATOM 1170 HB2 SER 74 17.208 -42.255 38.475 1.00 71.51 ATOM 1171 OG SER 74 15.239 -42.576 38.070 1.00 63.03 ATOM 1172 HG SER 74 15.543 -43.298 37.513 1.00 21.34 ATOM 1173 C SER 74 15.425 -39.674 37.105 1.00 71.15 ATOM 1174 O SER 74 14.503 -39.735 36.292 1.00 35.15 ATOM 1175 N GLU 75 15.536 -38.701 38.003 1.00 10.32 ATOM 1176 HN GLU 75 16.297 -38.707 38.631 1.00 38.48 ATOM 1177 CA GLU 75 14.556 -37.624 38.088 1.00 72.44 ATOM 1178 HA GLU 75 13.570 -38.069 38.157 1.00 41.23 ATOM 1179 CB GLU 75 14.813 -36.767 39.328 1.00 14.15 ATOM 1180 HB1 GLU 75 14.468 -35.755 39.139 1.00 38.48 ATOM 1181 HB2 GLU 75 15.877 -36.736 39.522 1.00 12.21 ATOM 1182 CG GLU 75 14.121 -37.283 40.579 1.00 22.30 ATOM 1183 HG1 GLU 75 14.826 -37.882 41.136 1.00 38.48 ATOM 1184 HG2 GLU 75 13.274 -37.896 40.305 1.00 34.15 ATOM 1185 CD GLU 75 13.631 -36.165 41.478 1.00 34.33 ATOM 1186 OE1 GLU 75 12.467 -36.234 41.928 1.00 4.21 ATOM 1187 OE2 GLU 75 14.409 -35.222 41.732 1.00 32.41 ATOM 1188 C GLU 75 14.596 -36.752 36.836 1.00 61.41 ATOM 1189 O GLU 75 13.557 -36.414 36.268 1.00 33.33 ATOM 1190 N CYS 76 15.802 -36.392 36.412 1.00 3.22 ATOM 1191 HN CYS 76 16.600 -36.684 36.915 1.00 38.48 ATOM 1192 CA CYS 76 15.979 -35.558 35.229 1.00 42.23 ATOM 1193 HA CYS 76 15.550 -34.587 35.439 1.00 52.13 ATOM 1194 CB CYS 76 17.466 -35.401 34.907 1.00 22.32 ATOM 1195 HB1 CYS 76 17.590 -35.143 33.862 1.00 38.48 ATOM 1196 HB2 CYS 76 17.975 -36.334 35.099 1.00 4.01 ATOM 1197 SG CYS 76 18.299 -34.119 35.872 1.00 21.02 ATOM 1198 HG CYS 76 19.448 -34.616 36.307 1.00 13.54 ATOM 1199 C CYS 76 15.247 -36.153 34.030 1.00 1.41 ATOM 1200 O CYS 76 14.525 -35.452 33.319 1.00 2.35 ATOM 1201 N LEU 77 15.439 -37.448 33.810 1.00 60.50 ATOM 1202 HN LEU 77 16.028 -37.960 34.414 1.00 38.48 ATOM 1203 CA LEU 77 14.798 -38.138 32.696 1.00 62.43 ATOM 1204 HA LEU 77 14.946 -37.549 31.799 1.00 35.42 ATOM 1205 CB LEU 77 15.434 -39.514 32.488 1.00 3.11 ATOM 1206 HB1 LEU 77 14.842 -40.067 31.766 1.00 38.48 ATOM 1207 HB2 LEU 77 15.385 -40.038 33.435 1.00 53.41 ATOM 1208 CG LEU 77 16.888 -39.516 32.013 1.00 31.55 ATOM 1209 HG LEU 77 17.469 -38.864 32.649 1.00 1.24 ATOM 1210 CD1 LEU 77 17.479 -40.914 32.111 1.00 32.31 ATOM 1211 HD11 LEU 77 18.513 -40.894 31.794 1.00 1.42 ATOM 1212 HD12 LEU 77 16.923 -41.591 31.477 1.00 11.14 ATOM 1213 HD13 LEU 77 17.428 -41.258 33.135 1.00 23.20 ATOM 1214 CD2 LEU 77 16.984 -38.993 30.588 1.00 44.01 ATOM 1215 HD21 LEU 77 16.784 -37.933 30.586 1.00 13.52 ATOM 1216 HD22 LEU 77 16.257 -39.496 29.963 1.00 33.42 ATOM 1217 HD23 LEU 77 17.970 -39.173 30.192 1.00 61.13 ATOM 1218 C LEU 77 13.300 -38.290 32.938 1.00 11.32 ATOM 1219 O LEU 77 12.510 -38.335 31.995 1.00 12.24 ATOM 1220 N SER 78 12.916 -38.366 34.208 1.00 11.35 ATOM 1221 HN SER 78 13.590 -38.360 34.921 1.00 38.48 ATOM 1222 CA SER 78 11.512 -38.513 34.575 1.00 23.42 ATOM 1223 HA SER 78 11.142 -39.419 34.123 1.00 43.45 ATOM 1224 CB SER 78 11.370 -38.631 36.094 1.00 52.21 ATOM 1225 HB1 SER 78 11.517 -37.673 36.538 1.00 38.48 ATOM 1226 HB2 SER 78 12.109 -39.319 36.472 1.00 62.30 ATOM 1227 OG SER 78 10.085 -39.112 36.450 1.00 42.31 ATOM 1228 HG SER 78 9.450 -38.392 36.419 1.00 52.20 ATOM 1229 C SER 78 10.691 -37.333 34.066 1.00 74.23 ATOM 1230 O SER 78 9.567 -37.503 33.594 1.00 43.23 ATOM 1231 N ASN 79 11.260 -36.137 34.165 1.00 4.44 ATOM 1232 HN ASN 79 12.156 -36.056 34.570 1.00 38.48 ATOM 1233 CA ASN 79 10.581 -34.927 33.716 1.00 44.25 ATOM 1234 HA ASN 79 9.725 -34.769 34.357 1.00 15.54 ATOM 1235 CB ASN 79 11.523 -33.724 33.807 1.00 61.40 ATOM 1236 HB1 ASN 79 11.183 -32.965 33.133 1.00 38.48 ATOM 1237 HB2 ASN 79 12.521 -34.024 33.526 1.00 53.02 ATOM 1238 CG ASN 79 11.558 -33.122 35.198 1.00 13.31 ATOM 1239 OD1 ASN 79 10.537 -33.056 35.884 1.00 43.33 ATOM 1240 ND2 ASN 79 12.736 -32.678 35.621 1.00 14.13 ATOM 1241 HD21 ASN 79 13.518 -32.755 35.029 1.00 73.01 ATOM 1242 HD22 ASN 79 12.780 -32.288 36.517 1.00 33.12 ATOM 1243 C ASN 79 10.079 -35.086 32.284 1.00 52.52 ATOM 1244 O ASN 79 9.005 -34.594 31.934 1.00 5.31 ATOM 1245 N ILE 80 10.861 -35.776 31.461 1.00 3.50 ATOM 1246 HN ILE 80 11.716 -36.142 31.788 1.00 38.48 ATOM 1247 CA ILE 80 10.495 -36.001 30.068 1.00 12.53 ATOM 1248 HA ILE 80 9.983 -35.117 29.697 1.00 4.32 ATOM 1249 CB ILE 80 11.738 -36.236 29.190 1.00 31.51 ATOM 1250 HB ILE 80 12.252 -37.110 29.567 1.00 72.14 ATOM 1251 CG1 ILE 80 12.673 -35.027 29.256 1.00 21.34 ATOM 1252 HG11 ILE 80 12.631 -34.568 30.234 1.00 38.48 ATOM 1253 HG12 ILE 80 12.387 -34.307 28.524 1.00 13.35 ATOM 1254 CG2 ILE 80 11.325 -36.516 27.753 1.00 45.24 ATOM 1255 HG21 ILE 80 12.183 -36.427 27.100 1.00 3.32 ATOM 1256 HG22 ILE 80 10.567 -35.811 27.438 1.00 5.33 ATOM 1257 HG23 ILE 80 10.938 -37.516 27.682 1.00 50.50 ATOM 1258 CD1 ILE 80 14.123 -35.369 28.991 1.00 35.34 ATOM 1259 HD11 ILE 80 14.722 -34.472 29.054 1.00 1.13 ATOM 1260 HD12 ILE 80 14.217 -35.797 28.004 1.00 30.12 ATOM 1261 HD13 ILE 80 14.465 -36.082 29.727 1.00 42.31 ATOM 1262 C ILE 80 9.556 -37.195 29.933 1.00 44.22 ATOM 1263 O ILE 80 8.588 -37.153 29.174 1.00 61.34 ATOM 1264 N ARG 81 9.849 -38.257 30.675 1.00 30.53 ATOM 1265 HN ARG 81 10.648 -38.240 31.254 1.00 38.48 ATOM 1266 CA ARG 81 9.031 -39.464 30.639 1.00 51.33 ATOM 1267 HA ARG 81 9.114 -39.894 29.652 1.00 60.13 ATOM 1268 CB ARG 81 9.526 -40.473 31.677 1.00 55.42 ATOM 1269 HB1 ARG 81 8.698 -41.088 32.011 1.00 38.48 ATOM 1270 HB2 ARG 81 9.914 -39.932 32.525 1.00 65.10 ATOM 1271 CG ARG 81 10.604 -41.406 31.153 1.00 65.21 ATOM 1272 HG1 ARG 81 11.315 -40.839 30.566 1.00 38.48 ATOM 1273 HG2 ARG 81 10.144 -42.159 30.532 1.00 4.21 ATOM 1274 CD ARG 81 11.348 -42.091 32.289 1.00 60.32 ATOM 1275 HD1 ARG 81 11.588 -41.356 33.049 1.00 38.48 ATOM 1276 HD2 ARG 81 12.264 -42.508 31.896 1.00 15.34 ATOM 1277 NE ARG 81 10.562 -43.168 32.887 1.00 44.53 ATOM 1278 HE ARG 81 9.732 -43.443 32.431 1.00 55.51 ATOM 1279 CZ ARG 81 10.908 -43.795 34.005 1.00 34.33 ATOM 1280 NH1 ARG 81 12.019 -43.456 34.644 1.00 15.33 ATOM 1281 HH11 ARG 81 12.616 -42.732 34.305 1.00 11.21 ATOM 1282 HH12 ARG 81 12.269 -43.935 35.488 1.00 34.21 ATOM 1283 NH2 ARG 81 10.140 -44.765 34.487 1.00 5.22 ATOM 1284 HH21 ARG 81 9.299 -45.026 34.009 1.00 21.54 ATOM 1285 HH22 ARG 81 10.398 -45.241 35.331 1.00 41.32 ATOM 1286 C ARG 81 7.563 -39.133 30.894 1.00 63.21 ATOM 1287 O ARG 81 6.685 -39.538 30.133 1.00 21.32 ATOM 1288 N GLU 82 7.306 -38.396 31.970 1.00 44.54 ATOM 1289 HN GLU 82 8.054 -38.101 32.543 1.00 38.48 ATOM 1290 CA GLU 82 5.945 -38.012 32.325 1.00 21.40 ATOM 1291 HA GLU 82 5.361 -38.915 32.446 1.00 43.04 ATOM 1292 CB GLU 82 5.937 -37.242 33.647 1.00 41.32 ATOM 1293 HB1 GLU 82 6.648 -36.431 33.579 1.00 38.48 ATOM 1294 HB2 GLU 82 6.258 -37.921 34.424 1.00 50.13 ATOM 1295 CG GLU 82 4.580 -36.658 34.003 1.00 61.11 ATOM 1296 HG1 GLU 82 3.796 -37.216 33.506 1.00 38.48 ATOM 1297 HG2 GLU 82 4.556 -35.638 33.673 1.00 53.24 ATOM 1298 CD GLU 82 4.307 -36.684 35.494 1.00 1.12 ATOM 1299 OE1 GLU 82 5.257 -36.926 36.268 1.00 51.42 ATOM 1300 OE2 GLU 82 3.143 -36.462 35.887 1.00 14.24 ATOM 1301 C GLU 82 5.314 -37.164 31.225 1.00 51.20 ATOM 1302 O GLU 82 4.104 -37.214 31.004 1.00 72.22 ATOM 1303 N PHE 83 6.143 -36.384 30.539 1.00 74.05 ATOM 1304 HN PHE 83 7.098 -36.366 30.769 1.00 38.48 ATOM 1305 CA PHE 83 5.667 -35.523 29.462 1.00 14.34 ATOM 1306 HA PHE 83 4.769 -35.019 29.798 1.00 5.03 ATOM 1307 CB PHE 83 6.720 -34.467 29.122 1.00 42.32 ATOM 1308 HB1 PHE 83 7.674 -34.952 28.983 1.00 38.48 ATOM 1309 HB2 PHE 83 6.801 -33.778 29.953 1.00 22.00 ATOM 1310 CG PHE 83 6.401 -33.679 27.883 1.00 21.23 ATOM 1311 CD1 PHE 83 6.900 -34.069 26.651 1.00 40.12 ATOM 1312 HD1 PHE 83 7.525 -34.949 26.581 1.00 31.23 ATOM 1313 CD2 PHE 83 5.602 -32.550 27.951 1.00 13.54 ATOM 1314 HD2 PHE 83 5.202 -32.239 28.905 1.00 60.41 ATOM 1315 CE1 PHE 83 6.609 -33.345 25.510 1.00 75.41 ATOM 1316 HE1 PHE 83 7.004 -33.659 24.555 1.00 0.21 ATOM 1317 CE2 PHE 83 5.306 -31.822 26.814 1.00 64.23 ATOM 1318 HE2 PHE 83 4.681 -30.944 26.881 1.00 35.11 ATOM 1319 CZ PHE 83 5.810 -32.222 25.591 1.00 13.52 ATOM 1320 HZ PHE 83 5.592 -31.657 24.704 1.00 31.53 ATOM 1321 C PHE 83 5.330 -36.341 28.219 1.00 21.12 ATOM 1322 O PHE 83 4.477 -35.954 27.419 1.00 22.01 ATOM 1323 N LEU 84 6.006 -37.474 28.063 1.00 1.14 ATOM 1324 HN LEU 84 6.687 -37.732 28.722 1.00 38.48 ATOM 1325 CA LEU 84 5.780 -38.348 26.918 1.00 63.24 ATOM 1326 HA LEU 84 5.637 -37.733 26.038 1.00 22.24 ATOM 1327 CB LEU 84 6.997 -39.247 26.689 1.00 41.51 ATOM 1328 HB1 LEU 84 6.759 -39.963 25.909 1.00 38.48 ATOM 1329 HB2 LEU 84 7.165 -39.798 27.607 1.00 61.42 ATOM 1330 CG LEU 84 8.296 -38.534 26.310 1.00 11.24 ATOM 1331 HG LEU 84 8.420 -37.662 26.928 1.00 63.23 ATOM 1332 CD1 LEU 84 9.491 -39.445 26.541 1.00 65.12 ATOM 1333 HD11 LEU 84 9.315 -40.407 26.084 1.00 3.21 ATOM 1334 HD12 LEU 84 9.635 -39.578 27.600 1.00 33.11 ATOM 1335 HD13 LEU 84 10.383 -39.002 26.117 1.00 62.00 ATOM 1336 CD2 LEU 84 8.247 -38.071 24.862 1.00 44.43 ATOM 1337 HD21 LEU 84 9.195 -37.640 24.595 1.00 24.21 ATOM 1338 HD22 LEU 84 7.467 -37.334 24.741 1.00 73.25 ATOM 1339 HD23 LEU 84 8.047 -38.913 24.233 1.00 12.04 ATOM 1340 C LEU 84 4.534 -39.203 27.122 1.00 31.34 ATOM 1341 O LEU 84 3.838 -39.543 26.165 1.00 12.34 ATOM 1342 N ARG 85 4.257 -39.546 28.376 1.00 24.43 ATOM 1343 HN ARG 85 4.853 -39.256 29.105 1.00 38.48 ATOM 1344 CA ARG 85 3.094 -40.361 28.707 1.00 43.23 ATOM 1345 HA ARG 85 3.093 -41.223 28.048 1.00 74.33 ATOM 1346 CB ARG 85 3.174 -40.837 30.158 1.00 0.45 ATOM 1347 HB1 ARG 85 2.710 -40.108 30.811 1.00 38.48 ATOM 1348 HB2 ARG 85 4.220 -40.920 30.429 1.00 22.42 ATOM 1349 CG ARG 85 2.507 -42.181 30.396 1.00 33.33 ATOM 1350 HG1 ARG 85 2.739 -42.849 29.576 1.00 38.48 ATOM 1351 HG2 ARG 85 1.439 -42.036 30.452 1.00 14.41 ATOM 1352 CD ARG 85 2.984 -42.818 31.692 1.00 35.51 ATOM 1353 HD1 ARG 85 2.419 -43.723 31.859 1.00 38.48 ATOM 1354 HD2 ARG 85 2.803 -42.129 32.507 1.00 44.31 ATOM 1355 NE ARG 85 4.405 -43.150 31.648 1.00 21.50 ATOM 1356 HE ARG 85 4.879 -43.039 30.791 1.00 63.50 ATOM 1357 CZ ARG 85 5.089 -43.593 32.697 1.00 3.32 ATOM 1358 NH1 ARG 85 4.485 -43.756 33.866 1.00 1.51 ATOM 1359 HH11 ARG 85 3.514 -43.553 33.984 1.00 10.34 ATOM 1360 HH12 ARG 85 5.010 -44.090 34.652 1.00 4.23 ATOM 1361 NH2 ARG 85 6.381 -43.873 32.578 1.00 33.52 ATOM 1362 HH21 ARG 85 6.844 -43.751 31.698 1.00 35.25 ATOM 1363 HH22 ARG 85 6.899 -44.207 33.368 1.00 33.02 ATOM 1364 C ARG 85 1.803 -39.579 28.487 1.00 53.32 ATOM 1365 O ARG 85 0.865 -40.072 27.861 1.00 1.14 ATOM 1366 N GLY 86 1.762 -38.355 29.006 1.00 34.45 ATOM 1367 HN GLY 86 2.535 -38.002 29.502 1.00 38.48 ATOM 1368 CA GLY 86 0.581 -37.525 28.857 1.00 72.21 ATOM 1369 HA1 GLY 86 0.745 -36.595 29.366 1.00 38.48 ATOM 1370 HA2 GLY 86 -0.261 -38.025 29.317 1.00 51.12 ATOM 1371 C GLY 86 0.248 -37.246 27.405 1.00 65.05 ATOM 1372 O GLY 86 -0.863 -37.521 26.951 1.00 12.22 ATOM 1373 N CYS 87 1.213 -36.698 26.674 1.00 54.43 ATOM 1374 HN CYS 87 2.084 -36.500 27.096 1.00 38.48 ATOM 1375 CA CYS 87 1.016 -36.378 25.264 1.00 30.41 ATOM 1376 HA CYS 87 0.242 -35.625 25.198 1.00 74.14 ATOM 1377 CB CYS 87 2.311 -35.836 24.657 1.00 33.30 ATOM 1378 HB1 CYS 87 2.315 -36.006 23.586 1.00 38.48 ATOM 1379 HB2 CYS 87 3.155 -36.349 25.095 1.00 25.03 ATOM 1380 SG CYS 87 2.560 -34.064 24.912 1.00 52.42 ATOM 1381 HG CYS 87 1.373 -33.475 24.879 1.00 44.25 ATOM 1382 C CYS 87 0.552 -37.607 24.488 1.00 15.32 ATOM 1383 O CYS 87 -0.350 -37.523 23.655 1.00 21.22 ATOM 1384 N GLY 88 1.175 -38.747 24.767 1.00 24.40 ATOM 1385 HN GLY 88 1.898 -38.767 25.433 1.00 38.48 ATOM 1386 CA GLY 88 0.814 -39.977 24.086 1.00 53.55 ATOM 1387 HA1 GLY 88 1.653 -40.655 24.141 1.00 38.48 ATOM 1388 HA2 GLY 88 0.613 -39.768 23.047 1.00 1.13 ATOM 1389 C GLY 88 -0.390 -40.653 24.711 1.00 61.53 ATOM 1390 O GLY 88 -0.814 -41.718 24.262 1.00 30.13 ATOM 1391 N ALA 89 -0.941 -40.035 25.750 1.00 22.53 ATOM 1392 HN ALA 89 -0.579 -39.205 26.075 1.00 38.48 ATOM 1393 CA ALA 89 -2.103 -40.585 26.438 1.00 43.02 ATOM 1394 HA ALA 89 -2.102 -41.664 26.327 1.00 31.40 ATOM 1395 CB ALA 89 -2.028 -40.280 27.927 1.00 71.04 ATOM 1396 HB1 ALA 89 -1.815 -39.240 28.081 1.00 0.52 ATOM 1397 HB2 ALA 89 -1.254 -40.878 28.376 1.00 23.22 ATOM 1398 HB3 ALA 89 -2.972 -40.524 28.399 1.00 12.35 ATOM 1399 C ALA 89 -3.399 -40.039 25.848 1.00 4.42 ATOM 1400 O ALA 89 -4.210 -40.789 25.307 1.00 73.21 ATOM 1401 N SER 90 -3.586 -38.727 25.958 1.00 75.34 ATOM 1402 HN SER 90 -2.890 -38.172 26.384 1.00 38.48 ATOM 1403 CA SER 90 -4.786 -38.081 25.439 1.00 35.21 ATOM 1404 HA SER 90 -5.632 -38.736 25.610 1.00 31.15 ATOM 1405 CB SER 90 -5.038 -36.762 26.172 1.00 41.25 ATOM 1406 HB1 SER 90 -4.226 -36.075 25.975 1.00 38.48 ATOM 1407 HB2 SER 90 -5.097 -36.951 27.234 1.00 24.15 ATOM 1408 OG SER 90 -6.253 -36.168 25.750 1.00 53.25 ATOM 1409 HG SER 90 -6.296 -35.264 26.070 1.00 52.43 ATOM 1410 C SER 90 -4.662 -37.828 23.940 1.00 74.03 ATOM 1411 O SER 90 -5.517 -38.243 23.155 1.00 25.12 ATOM 1412 N LEU 91 -3.593 -37.144 23.548 1.00 20.03 ATOM 1413 HN LEU 91 -2.937 -36.848 24.224 1.00 38.48 ATOM 1414 CA LEU 91 -3.355 -36.834 22.143 1.00 71.33 ATOM 1415 HA LEU 91 -4.291 -36.510 21.701 1.00 72.53 ATOM 1416 CB LEU 91 -2.327 -35.709 22.015 1.00 12.31 ATOM 1417 HB1 LEU 91 -1.751 -35.869 21.111 1.00 38.48 ATOM 1418 HB2 LEU 91 -1.649 -35.782 22.851 1.00 1.01 ATOM 1419 CG LEU 91 -2.890 -34.287 21.976 1.00 24.35 ATOM 1420 HG LEU 91 -3.787 -34.236 22.580 1.00 33.24 ATOM 1421 CD1 LEU 91 -1.888 -33.301 22.557 1.00 51.02 ATOM 1422 HD11 LEU 91 -0.996 -33.282 21.951 1.00 55.04 ATOM 1423 HD12 LEU 91 -1.630 -33.596 23.565 1.00 14.10 ATOM 1424 HD13 LEU 91 -2.326 -32.313 22.578 1.00 23.44 ATOM 1425 CD2 LEU 91 -3.260 -33.899 20.552 1.00 2.35 ATOM 1426 HD21 LEU 91 -3.506 -32.846 20.502 1.00 43.44 ATOM 1427 HD22 LEU 91 -4.115 -34.479 20.236 1.00 40.20 ATOM 1428 HD23 LEU 91 -2.429 -34.109 19.901 1.00 40.44 ATOM 1429 C LEU 91 -2.871 -38.068 21.388 1.00 74.15 ATOM 1430 O LEU 91 -3.173 -38.243 20.207 1.00 63.12 ATOM 1431 N ARG 92 -2.122 -38.922 22.077 1.00 2.44 ATOM 1432 HN ARG 92 -1.890 -38.736 23.013 1.00 38.48 ATOM 1433 CA ARG 92 -1.597 -40.140 21.472 1.00 14.11 ATOM 1434 HA ARG 92 -0.986 -40.639 22.182 1.00 10.02 ATOM 1435 CB ARG 92 -2.744 -41.066 21.062 1.00 13.42 ATOM 1436 HB1 ARG 92 -2.413 -41.742 20.282 1.00 38.48 ATOM 1437 HB2 ARG 92 -3.564 -40.487 20.672 1.00 71.00 ATOM 1438 CG ARG 92 -3.284 -41.909 22.205 1.00 33.33 ATOM 1439 HG1 ARG 92 -4.311 -42.168 21.989 1.00 38.48 ATOM 1440 HG2 ARG 92 -3.247 -41.340 23.123 1.00 30.44 ATOM 1441 CD ARG 92 -2.477 -43.185 22.386 1.00 64.10 ATOM 1442 HD1 ARG 92 -2.553 -43.468 23.426 1.00 38.48 ATOM 1443 HD2 ARG 92 -1.437 -43.003 22.142 1.00 63.21 ATOM 1444 NE ARG 92 -2.981 -44.274 21.554 1.00 22.52 ATOM 1445 HE ARG 92 -3.550 -44.040 20.784 1.00 34.21 ATOM 1446 CZ ARG 92 -2.708 -45.555 21.776 1.00 21.42 ATOM 1447 NH1 ARG 92 -1.940 -45.906 22.799 1.00 41.54 ATOM 1448 HH11 ARG 92 -1.550 -45.229 23.418 1.00 75.12 ATOM 1449 HH12 ARG 92 -1.744 -46.876 22.959 1.00 1.13 ATOM 1450 NH2 ARG 92 -3.204 -46.489 20.975 1.00 71.33 ATOM 1451 HH21 ARG 92 -3.786 -46.231 20.201 1.00 23.20 ATOM 1452 HH22 ARG 92 -2.999 -47.456 21.141 1.00 11.24 ATOM 1453 C ARG 92 -0.733 -39.815 20.257 1.00 1.14 ATOM 1454 O ARG 92 -0.628 -40.613 19.325 1.00 23.23 ATOM 1455 N LEU 93 -0.116 -38.638 20.274 1.00 34.45 ATOM 1456 HN LEU 93 -0.209 -38.056 21.057 1.00 38.48 ATOM 1457 CA LEU 93 0.739 -38.207 19.174 1.00 1.24 ATOM 1458 HA LEU 93 0.230 -38.417 18.241 1.00 23.11 ATOM 1459 CB LEU 93 0.995 -36.701 19.262 1.00 63.31 ATOM 1460 HB1 LEU 93 0.031 -36.220 19.156 1.00 38.48 ATOM 1461 HB2 LEU 93 1.600 -36.400 18.416 1.00 23.23 ATOM 1462 CG LEU 93 1.641 -36.204 20.556 1.00 71.41 ATOM 1463 HG LEU 93 1.412 -36.876 21.369 1.00 13.35 ATOM 1464 CD1 LEU 93 3.155 -36.164 20.416 1.00 53.21 ATOM 1465 HD11 LEU 93 3.537 -37.148 20.598 1.00 74.44 ATOM 1466 HD12 LEU 93 3.580 -35.487 21.148 1.00 32.23 ATOM 1467 HD13 LEU 93 3.441 -35.840 19.424 1.00 21.00 ATOM 1468 CD2 LEU 93 1.101 -34.831 20.928 1.00 32.43 ATOM 1469 HD21 LEU 93 1.501 -34.532 21.886 1.00 32.51 ATOM 1470 HD22 LEU 93 0.032 -34.866 20.985 1.00 21.12 ATOM 1471 HD23 LEU 93 1.393 -34.110 20.178 1.00 74.02 ATOM 1472 C LEU 93 2.065 -38.961 19.187 1.00 34.41 ATOM 1473 O LEU 93 2.305 -39.798 20.057 1.00 53.11 ATOM 1474 N GLU 94 2.922 -38.658 18.217 1.00 11.35 ATOM 1475 HN GLU 94 2.680 -37.964 17.564 1.00 38.48 ATOM 1476 CA GLU 94 4.224 -39.307 18.119 1.00 52.01 ATOM 1477 HA GLU 94 4.067 -40.379 18.173 1.00 73.13 ATOM 1478 CB GLU 94 4.879 -38.985 16.774 1.00 13.31 ATOM 1479 HB1 GLU 94 5.713 -39.659 16.632 1.00 38.48 ATOM 1480 HB2 GLU 94 5.248 -37.966 16.789 1.00 54.11 ATOM 1481 CG GLU 94 3.936 -39.120 15.590 1.00 0.41 ATOM 1482 HG1 GLU 94 3.289 -38.256 15.559 1.00 38.48 ATOM 1483 HG2 GLU 94 3.337 -40.013 15.710 1.00 52.01 ATOM 1484 CD GLU 94 4.671 -39.217 14.267 1.00 30.13 ATOM 1485 OE1 GLU 94 5.577 -40.068 14.153 1.00 64.11 ATOM 1486 OE2 GLU 94 4.339 -38.442 13.346 1.00 12.33 ATOM 1487 C GLU 94 5.138 -38.870 19.260 1.00 52.51 ATOM 1488 O GLU 94 5.420 -37.682 19.425 1.00 33.13 ATOM 1489 N THR 95 5.598 -39.838 20.046 1.00 0.33 ATOM 1490 HN THR 95 5.351 -40.775 19.865 1.00 38.48 ATOM 1491 CA THR 95 6.478 -39.554 21.173 1.00 62.03 ATOM 1492 HA THR 95 6.472 -38.488 21.377 1.00 1.14 ATOM 1493 CB THR 95 6.009 -40.278 22.449 1.00 70.44 ATOM 1494 HB THR 95 6.705 -40.076 23.247 1.00 30.22 ATOM 1495 OG1 THR 95 5.963 -41.691 22.221 1.00 75.33 ATOM 1496 HG1 THR 95 6.051 -42.157 23.057 1.00 1.34 ATOM 1497 CG2 THR 95 4.636 -39.783 22.878 1.00 22.41 ATOM 1498 HG21 THR 95 3.920 -39.972 22.091 1.00 44.30 ATOM 1499 HG22 THR 95 4.679 -38.722 23.079 1.00 13.45 ATOM 1500 HG23 THR 95 4.331 -40.305 23.773 1.00 20.12 ATOM 1501 C THR 95 7.913 -39.966 20.866 1.00 24.55 ATOM 1502 O THR 95 8.181 -40.614 19.854 1.00 23.12 ATOM 1503 N PHE 96 8.834 -39.588 21.747 1.00 34.04 ATOM 1504 HN PHE 96 8.572 -39.056 22.506 1.00 38.48 ATOM 1505 CA PHE 96 10.243 -39.919 21.571 1.00 52.34 ATOM 1506 HA PHE 96 10.339 -40.689 20.815 1.00 34.54 ATOM 1507 CB PHE 96 11.024 -38.686 21.111 1.00 61.01 ATOM 1508 HB1 PHE 96 10.610 -38.358 20.167 1.00 38.48 ATOM 1509 HB2 PHE 96 12.063 -38.948 20.958 1.00 40.15 ATOM 1510 CG PHE 96 10.948 -37.535 22.073 1.00 54.24 ATOM 1511 CD1 PHE 96 9.836 -36.707 22.096 1.00 24.42 ATOM 1512 HD1 PHE 96 9.016 -36.897 21.420 1.00 61.25 ATOM 1513 CD2 PHE 96 11.986 -37.280 22.953 1.00 24.54 ATOM 1514 HD2 PHE 96 12.858 -37.912 22.942 1.00 41.23 ATOM 1515 CE1 PHE 96 9.764 -35.647 22.980 1.00 50.04 ATOM 1516 HE1 PHE 96 8.898 -35.010 22.996 1.00 43.45 ATOM 1517 CE2 PHE 96 11.919 -36.222 23.839 1.00 4.35 ATOM 1518 HE2 PHE 96 12.727 -36.040 24.523 1.00 61.30 ATOM 1519 CZ PHE 96 10.806 -35.405 23.853 1.00 1.51 ATOM 1520 HZ PHE 96 10.751 -34.577 24.544 1.00 51.50 ATOM 1521 C PHE 96 10.841 -40.460 22.866 1.00 60.12 ATOM 1522 O PHE 96 10.159 -40.552 23.886 1.00 34.34 ATOM 1523 N ASP 97 12.120 -40.817 22.816 1.00 54.02 ATOM 1524 HN ASP 97 12.620 -40.726 21.971 1.00 38.48 ATOM 1525 CA ASP 97 12.811 -41.349 23.984 1.00 2.14 ATOM 1526 HA ASP 97 12.081 -41.850 24.615 1.00 64.53 ATOM 1527 CB ASP 97 13.872 -42.364 23.557 1.00 24.11 ATOM 1528 HB1 ASP 97 14.637 -42.440 24.321 1.00 38.48 ATOM 1529 HB2 ASP 97 14.330 -42.038 22.634 1.00 64.34 ATOM 1530 CG ASP 97 13.295 -43.749 23.342 1.00 61.32 ATOM 1531 OD1 ASP 97 13.618 -44.372 22.309 1.00 23.32 ATOM 1532 OD2 ASP 97 12.519 -44.210 24.206 1.00 43.05 ATOM 1533 C ASP 97 13.458 -40.227 24.790 1.00 0.15 ATOM 1534 O ASP 97 14.194 -39.404 24.247 1.00 3.03 ATOM 1535 N ALA 98 13.177 -40.200 26.089 1.00 32.21 ATOM 1536 HN ALA 98 12.576 -40.886 26.468 1.00 38.48 ATOM 1537 CA ALA 98 13.732 -39.180 26.970 1.00 32.11 ATOM 1538 HA ALA 98 13.323 -38.226 26.675 1.00 65.01 ATOM 1539 CB ALA 98 13.320 -39.446 28.411 1.00 65.25 ATOM 1540 HB1 ALA 98 13.716 -38.671 29.053 1.00 42.21 ATOM 1541 HB2 ALA 98 13.703 -40.406 28.727 1.00 72.22 ATOM 1542 HB3 ALA 98 12.242 -39.452 28.479 1.00 72.51 ATOM 1543 C ALA 98 15.251 -39.122 26.854 1.00 42.01 ATOM 1544 O ALA 98 15.859 -38.071 27.055 1.00 75.24 ATOM 1545 N ASN 99 15.859 -40.258 26.529 1.00 22.42 ATOM 1546 HN ASN 99 15.333 -41.081 26.415 1.00 38.48 ATOM 1547 CA ASN 99 17.309 -40.336 26.388 1.00 74.52 ATOM 1548 HA ASN 99 17.762 -39.877 27.258 1.00 53.02 ATOM 1549 CB ASN 99 17.757 -41.798 26.315 1.00 11.44 ATOM 1550 HB1 ASN 99 18.836 -41.839 26.254 1.00 38.48 ATOM 1551 HB2 ASN 99 17.332 -42.259 25.434 1.00 75.01 ATOM 1552 CG ASN 99 17.319 -42.597 27.527 1.00 22.34 ATOM 1553 OD1 ASN 99 16.516 -43.523 27.417 1.00 74.33 ATOM 1554 ND2 ASN 99 17.847 -42.242 28.693 1.00 45.12 ATOM 1555 HD21 ASN 99 18.485 -41.493 28.722 1.00 21.14 ATOM 1556 HD22 ASN 99 17.576 -42.747 29.488 1.00 25.44 ATOM 1557 C ASN 99 17.775 -39.588 25.143 1.00 52.31 ATOM 1558 O ASN 99 18.835 -38.963 25.143 1.00 44.52 ATOM 1559 N ASP 100 16.975 -39.655 24.085 1.00 71.35 ATOM 1560 HN ASP 100 16.146 -40.185 24.134 1.00 38.48 ATOM 1561 CA ASP 100 17.304 -38.983 22.833 1.00 11.42 ATOM 1562 HA ASP 100 18.271 -39.336 22.507 1.00 11.51 ATOM 1563 CB ASP 100 16.254 -39.300 21.767 1.00 12.34 ATOM 1564 HB1 ASP 100 16.306 -38.563 20.974 1.00 38.48 ATOM 1565 HB2 ASP 100 15.273 -39.273 22.203 1.00 51.04 ATOM 1566 CG ASP 100 16.460 -40.664 21.139 1.00 30.14 ATOM 1567 OD1 ASP 100 17.591 -41.187 21.216 1.00 21.33 ATOM 1568 OD2 ASP 100 15.490 -41.208 20.570 1.00 25.43 ATOM 1569 C ASP 100 17.401 -37.474 23.036 1.00 13.25 ATOM 1570 O ASP 100 18.158 -36.791 22.346 1.00 50.24 ATOM 1571 N LEU 101 16.629 -36.960 23.987 1.00 12.55 ATOM 1572 HN LEU 101 16.033 -37.546 24.508 1.00 38.48 ATOM 1573 CA LEU 101 16.626 -35.531 24.282 1.00 44.34 ATOM 1574 HA LEU 101 16.859 -34.986 23.374 1.00 30.31 ATOM 1575 CB LEU 101 15.243 -35.092 24.765 1.00 50.34 ATOM 1576 HB1 LEU 101 14.895 -35.822 25.484 1.00 38.48 ATOM 1577 HB2 LEU 101 14.578 -35.107 23.926 1.00 23.02 ATOM 1578 CG LEU 101 15.168 -33.714 25.423 1.00 11.30 ATOM 1579 HG LEU 101 15.746 -33.717 26.336 1.00 34.24 ATOM 1580 CD1 LEU 101 15.747 -32.650 24.503 1.00 73.23 ATOM 1581 HD11 LEU 101 16.759 -32.891 24.231 1.00 50.35 ATOM 1582 HD12 LEU 101 15.747 -31.704 25.013 1.00 44.21 ATOM 1583 HD13 LEU 101 15.150 -32.575 23.616 1.00 54.25 ATOM 1584 CD2 LEU 101 13.731 -33.377 25.793 1.00 52.21 ATOM 1585 HD21 LEU 101 13.429 -33.985 26.631 1.00 61.10 ATOM 1586 HD22 LEU 101 13.079 -33.581 24.953 1.00 34.33 ATOM 1587 HD23 LEU 101 13.641 -32.341 26.054 1.00 51.51 ATOM 1588 C LEU 101 17.677 -35.189 25.334 1.00 72.54 ATOM 1589 O LEU 101 18.494 -34.289 25.140 1.00 23.33 ATOM 1590 N TYR 102 17.650 -35.915 26.446 1.00 62.53 ATOM 1591 HN TYR 102 16.969 -36.623 26.543 1.00 38.48 ATOM 1592 CA TYR 102 18.600 -35.690 27.529 1.00 51.33 ATOM 1593 HA TYR 102 18.454 -34.679 27.872 1.00 5.21 ATOM 1594 CB TYR 102 18.343 -36.672 28.673 1.00 2.52 ATOM 1595 HB1 TYR 102 18.719 -37.653 28.403 1.00 38.48 ATOM 1596 HB2 TYR 102 17.276 -36.741 28.834 1.00 63.23 ATOM 1597 CG TYR 102 18.971 -36.252 29.983 1.00 13.23 ATOM 1598 CD1 TYR 102 18.851 -34.947 30.447 1.00 65.24 ATOM 1599 HD1 TYR 102 18.298 -34.224 29.867 1.00 3.34 ATOM 1600 CD2 TYR 102 19.683 -37.159 30.757 1.00 25.22 ATOM 1601 HD2 TYR 102 19.795 -38.176 30.413 1.00 74.54 ATOM 1602 CE1 TYR 102 19.424 -34.559 31.643 1.00 53.14 ATOM 1603 HE1 TYR 102 19.316 -33.543 31.989 1.00 21.35 ATOM 1604 CE2 TYR 102 20.258 -36.780 31.955 1.00 33.10 ATOM 1605 HE2 TYR 102 20.809 -37.490 32.528 1.00 74.32 ATOM 1606 CZ TYR 102 20.125 -35.479 32.393 1.00 23.04 ATOM 1607 OH TYR 102 20.697 -35.097 33.585 1.00 21.23 ATOM 1608 HH TYR 102 21.652 -35.032 33.484 1.00 12.01 ATOM 1609 C TYR 102 20.036 -35.833 27.033 1.00 34.21 ATOM 1610 O TYR 102 20.876 -34.968 27.276 1.00 24.01 ATOM 1611 N GLN 103 20.307 -36.932 26.337 1.00 61.25 ATOM 1612 HN GLN 103 19.589 -37.587 26.166 1.00 38.48 ATOM 1613 CA GLN 103 21.641 -37.190 25.806 1.00 13.12 ATOM 1614 HA GLN 103 22.372 -36.861 26.535 1.00 21.32 ATOM 1615 CB GLN 103 21.836 -38.688 25.566 1.00 4.22 ATOM 1616 HB1 GLN 103 22.828 -38.855 25.162 1.00 38.48 ATOM 1617 HB2 GLN 103 21.113 -39.022 24.843 1.00 12.23 ATOM 1618 CG GLN 103 21.672 -39.532 26.820 1.00 54.50 ATOM 1619 HG1 GLN 103 21.297 -40.501 26.523 1.00 38.48 ATOM 1620 HG2 GLN 103 20.954 -39.073 27.487 1.00 42.12 ATOM 1621 CD GLN 103 22.979 -39.741 27.559 1.00 52.24 ATOM 1622 OE1 GLN 103 23.854 -40.476 27.100 1.00 52.34 ATOM 1623 NE2 GLN 103 23.119 -39.094 28.710 1.00 72.02 ATOM 1624 HE21 GLN 103 22.388 -38.519 29.030 1.00 2.42 ATOM 1625 HE22 GLN 103 23.958 -39.217 29.202 1.00 1.34 ATOM 1626 C GLN 103 21.869 -36.421 24.509 1.00 13.00 ATOM 1627 O GLN 103 23.006 -36.226 24.083 1.00 2.31 ATOM 1628 N GLY 104 20.778 -35.987 23.885 1.00 50.35 ATOM 1629 HN GLY 104 19.890 -36.192 24.232 1.00 38.48 ATOM 1630 CA GLY 104 20.881 -35.245 22.642 1.00 53.53 ATOM 1631 HA1 GLY 104 21.606 -34.448 22.754 1.00 38.48 ATOM 1632 HA2 GLY 104 19.918 -34.807 22.422 1.00 62.24 ATOM 1633 C GLY 104 21.291 -36.121 21.475 1.00 31.21 ATOM 1634 O GLY 104 21.914 -35.648 20.525 1.00 22.41 ATOM 1635 N GLN 105 20.942 -37.402 21.548 1.00 51.43 ATOM 1636 HN GLN 105 20.423 -37.725 22.321 1.00 38.48 ATOM 1637 CA GLN 105 21.280 -38.346 20.490 1.00 64.22 ATOM 1638 HA GLN 105 22.350 -38.307 20.331 1.00 71.53 ATOM 1639 CB GLN 105 20.896 -39.768 20.904 1.00 12.41 ATOM 1640 HB1 GLN 105 21.103 -40.447 20.085 1.00 38.48 ATOM 1641 HB2 GLN 105 19.837 -39.792 21.112 1.00 22.01 ATOM 1642 CG GLN 105 21.629 -40.260 22.142 1.00 55.13 ATOM 1643 HG1 GLN 105 21.053 -41.058 22.586 1.00 38.48 ATOM 1644 HG2 GLN 105 21.723 -39.453 22.852 1.00 71.34 ATOM 1645 CD GLN 105 23.014 -40.789 21.828 1.00 60.12 ATOM 1646 OE1 GLN 105 24.018 -40.246 22.289 1.00 10.34 ATOM 1647 NE2 GLN 105 23.076 -41.855 21.039 1.00 61.41 ATOM 1648 HE21 GLN 105 22.241 -42.249 20.699 1.00 12.31 ATOM 1649 HE22 GLN 105 23.963 -42.212 20.824 1.00 14.11 ATOM 1650 C GLN 105 20.581 -37.977 19.186 1.00 72.01 ATOM 1651 O GLN 105 21.227 -37.785 18.157 1.00 54.23 ATOM 1652 N ASN 106 19.256 -37.880 19.238 1.00 62.23 ATOM 1653 HN ASN 106 18.786 -38.051 20.087 1.00 38.48 ATOM 1654 CA ASN 106 18.468 -37.535 18.060 1.00 45.11 ATOM 1655 HA ASN 106 19.136 -37.239 17.257 1.00 5.25 ATOM 1656 CB ASN 106 17.643 -38.739 17.602 1.00 40.02 ATOM 1657 HB1 ASN 106 16.766 -38.402 17.061 1.00 38.48 ATOM 1658 HB2 ASN 106 17.326 -39.308 18.464 1.00 44.10 ATOM 1659 CG ASN 106 18.425 -39.661 16.686 1.00 33.23 ATOM 1660 OD1 ASN 106 19.619 -39.464 16.461 1.00 71.22 ATOM 1661 ND2 ASN 106 17.752 -40.675 16.154 1.00 43.15 ATOM 1662 HD21 ASN 106 16.798 -40.783 16.371 1.00 51.23 ATOM 1663 HD22 ASN 106 18.239 -41.283 15.559 1.00 24.04 ATOM 1664 C ASN 106 17.548 -36.353 18.349 1.00 72.15 ATOM 1665 O ASN 106 16.433 -36.527 18.841 1.00 11.22 ATOM 1666 N PHE 107 18.022 -35.151 18.038 1.00 73.22 ATOM 1667 HN PHE 107 18.923 -35.076 17.640 1.00 38.48 ATOM 1668 CA PHE 107 17.242 -33.940 18.264 1.00 52.12 ATOM 1669 HA PHE 107 16.926 -33.936 19.299 1.00 1.42 ATOM 1670 CB PHE 107 18.098 -32.700 17.999 1.00 51.30 ATOM 1671 HB1 PHE 107 18.390 -32.686 16.955 1.00 38.48 ATOM 1672 HB2 PHE 107 18.987 -32.757 18.611 1.00 14.51 ATOM 1673 CG PHE 107 17.402 -31.410 18.327 1.00 51.32 ATOM 1674 CD1 PHE 107 16.813 -31.220 19.567 1.00 65.23 ATOM 1675 HD1 PHE 107 16.857 -32.007 20.307 1.00 42.24 ATOM 1676 CD2 PHE 107 17.336 -30.387 17.395 1.00 53.34 ATOM 1677 HD2 PHE 107 17.791 -30.519 16.423 1.00 24.24 ATOM 1678 CE1 PHE 107 16.173 -30.034 19.872 1.00 74.22 ATOM 1679 HE1 PHE 107 15.718 -29.899 20.842 1.00 74.20 ATOM 1680 CE2 PHE 107 16.697 -29.198 17.694 1.00 34.51 ATOM 1681 HE2 PHE 107 16.647 -28.415 16.956 1.00 43.03 ATOM 1682 CZ PHE 107 16.113 -29.022 18.934 1.00 62.44 ATOM 1683 HZ PHE 107 15.607 -28.106 19.158 1.00 13.20 ATOM 1684 C PHE 107 16.003 -33.916 17.373 1.00 62.41 ATOM 1685 O PHE 107 14.990 -33.308 17.716 1.00 24.31 ATOM 1686 N ASN 108 16.093 -34.583 16.227 1.00 64.04 ATOM 1687 HN ASN 108 16.951 -34.994 15.979 1.00 38.48 ATOM 1688 CA ASN 108 14.981 -34.638 15.285 1.00 61.20 ATOM 1689 HA ASN 108 14.825 -33.643 14.895 1.00 42.15 ATOM 1690 CB ASN 108 15.314 -35.579 14.125 1.00 12.11 ATOM 1691 HB1 ASN 108 15.979 -35.064 13.447 1.00 38.48 ATOM 1692 HB2 ASN 108 14.410 -35.843 13.589 1.00 4.23 ATOM 1693 CG ASN 108 16.008 -36.845 14.588 1.00 20.04 ATOM 1694 OD1 ASN 108 17.191 -36.828 14.930 1.00 72.44 ATOM 1695 ND2 ASN 108 15.273 -37.951 14.602 1.00 24.22 ATOM 1696 HD21 ASN 108 14.332 -37.906 14.319 1.00 52.43 ATOM 1697 HD22 ASN 108 15.704 -38.780 14.898 1.00 10.10 ATOM 1698 C ASN 108 13.703 -35.100 15.979 1.00 64.42 ATOM 1699 O ASN 108 12.660 -34.455 15.877 1.00 73.32 ATOM 1700 N LYS 109 13.793 -36.222 16.686 1.00 61.05 ATOM 1701 HN LYS 109 14.660 -36.676 16.767 1.00 38.48 ATOM 1702 CA LYS 109 12.646 -36.771 17.399 1.00 61.32 ATOM 1703 HA LYS 109 11.911 -37.075 16.666 1.00 51.01 ATOM 1704 CB LYS 109 13.067 -37.991 18.221 1.00 23.13 ATOM 1705 HB1 LYS 109 12.241 -38.296 18.833 1.00 38.48 ATOM 1706 HB2 LYS 109 13.895 -37.715 18.857 1.00 21.43 ATOM 1707 CG LYS 109 13.483 -39.182 17.375 1.00 42.44 ATOM 1708 HG1 LYS 109 14.339 -38.901 16.782 1.00 38.48 ATOM 1709 HG2 LYS 109 12.661 -39.442 16.721 1.00 42.55 ATOM 1710 CD LYS 109 13.854 -40.377 18.237 1.00 52.34 ATOM 1711 HD1 LYS 109 13.317 -40.339 19.178 1.00 38.48 ATOM 1712 HD2 LYS 109 14.915 -40.339 18.425 1.00 74.24 ATOM 1713 CE LYS 109 13.525 -41.689 17.541 1.00 12.12 ATOM 1714 HE1 LYS 109 13.601 -41.563 16.467 1.00 38.48 ATOM 1715 HE2 LYS 109 12.515 -41.971 17.796 1.00 31.44 ATOM 1716 NZ LYS 109 14.447 -42.782 17.955 1.00 31.42 ATOM 1717 HZ1 LYS 109 14.380 -42.943 18.982 1.00 71.11 ATOM 1718 HZ2 LYS 109 15.430 -42.537 17.717 1.00 41.34 ATOM 1719 HZ3 LYS 109 14.196 -43.663 17.462 1.00 1.31 ATOM 1720 C LYS 109 12.019 -35.722 18.311 1.00 41.20 ATOM 1721 O LYS 109 10.797 -35.581 18.363 1.00 2.44 ATOM 1722 N VAL 110 12.863 -34.987 19.028 1.00 44.54 ATOM 1723 HN VAL 110 13.829 -35.124 18.912 1.00 38.48 ATOM 1724 CA VAL 110 12.392 -33.948 19.936 1.00 52.13 ATOM 1725 HA VAL 110 11.682 -34.398 20.621 1.00 65.03 ATOM 1726 CB VAL 110 13.550 -33.354 20.759 1.00 21.23 ATOM 1727 HB VAL 110 14.199 -32.796 20.096 1.00 51.11 ATOM 1728 CG1 VAL 110 13.019 -32.399 21.817 1.00 53.11 ATOM 1729 HG11 VAL 110 13.845 -31.939 22.330 1.00 23.13 ATOM 1730 HG12 VAL 110 12.412 -32.941 22.527 1.00 53.04 ATOM 1731 HG13 VAL 110 12.422 -31.624 21.358 1.00 42.54 ATOM 1732 CG2 VAL 110 14.374 -34.463 21.396 1.00 34.43 ATOM 1733 HG21 VAL 110 13.727 -35.120 21.960 1.00 45.41 ATOM 1734 HG22 VAL 110 15.114 -34.036 22.057 1.00 35.33 ATOM 1735 HG23 VAL 110 14.879 -35.030 20.632 1.00 40.30 ATOM 1736 C VAL 110 11.697 -32.825 19.173 1.00 22.23 ATOM 1737 O VAL 110 10.561 -32.462 19.480 1.00 73.33 ATOM 1738 N LEU 111 12.387 -32.279 18.178 1.00 11.42 ATOM 1739 HN LEU 111 13.295 -32.613 17.984 1.00 38.48 ATOM 1740 CA LEU 111 11.836 -31.196 17.370 1.00 63.32 ATOM 1741 HA LEU 111 11.730 -30.337 18.013 1.00 4.45 ATOM 1742 CB LEU 111 12.780 -30.868 16.211 1.00 12.55 ATOM 1743 HB1 LEU 111 12.536 -31.509 15.371 1.00 38.48 ATOM 1744 HB2 LEU 111 13.793 -31.103 16.522 1.00 12.42 ATOM 1745 CG LEU 111 12.767 -29.417 15.726 1.00 23.54 ATOM 1746 HG LEU 111 11.761 -29.151 15.435 1.00 14.43 ATOM 1747 CD1 LEU 111 13.197 -28.478 16.842 1.00 2.31 ATOM 1748 HD11 LEU 111 14.027 -28.899 17.372 1.00 33.24 ATOM 1749 HD12 LEU 111 12.375 -28.332 17.525 1.00 4.23 ATOM 1750 HD13 LEU 111 13.482 -27.534 16.433 1.00 45.45 ATOM 1751 CD2 LEU 111 13.669 -29.254 14.512 1.00 51.35 ATOM 1752 HD21 LEU 111 13.326 -29.902 13.717 1.00 72.42 ATOM 1753 HD22 LEU 111 14.685 -29.515 14.774 1.00 51.25 ATOM 1754 HD23 LEU 111 13.639 -28.228 14.172 1.00 61.21 ATOM 1755 C LEU 111 10.459 -31.567 16.829 1.00 11.32 ATOM 1756 O LEU 111 9.499 -30.810 16.976 1.00 22.14 ATOM 1757 N SER 112 10.369 -32.737 16.205 1.00 50.32 ATOM 1758 HN SER 112 11.175 -33.302 16.120 1.00 38.48 ATOM 1759 CA SER 112 9.109 -33.207 15.641 1.00 63.32 ATOM 1760 HA SER 112 8.789 -32.495 14.893 1.00 43.13 ATOM 1761 CB SER 112 9.303 -34.570 14.973 1.00 34.33 ATOM 1762 HB1 SER 112 9.868 -35.216 15.631 1.00 38.48 ATOM 1763 HB2 SER 112 9.844 -34.439 14.047 1.00 74.20 ATOM 1764 OG SER 112 8.056 -35.180 14.688 1.00 55.32 ATOM 1765 HG SER 112 7.791 -35.739 15.423 1.00 2.02 ATOM 1766 C SER 112 8.034 -33.304 16.719 1.00 70.13 ATOM 1767 O SER 112 6.869 -32.986 16.479 1.00 21.24 ATOM 1768 N SER 113 8.434 -33.746 17.907 1.00 41.22 ATOM 1769 HN SER 113 9.378 -34.000 18.040 1.00 38.48 ATOM 1770 CA SER 113 7.505 -33.889 19.022 1.00 41.23 ATOM 1771 HA SER 113 6.734 -34.590 18.730 1.00 31.55 ATOM 1772 CB SER 113 8.231 -34.439 20.251 1.00 43.31 ATOM 1773 HB1 SER 113 8.971 -33.733 20.588 1.00 38.48 ATOM 1774 HB2 SER 113 8.715 -35.363 19.985 1.00 11.14 ATOM 1775 OG SER 113 7.324 -34.685 21.311 1.00 22.23 ATOM 1776 HG SER 113 7.145 -33.866 21.780 1.00 12.50 ATOM 1777 C SER 113 6.851 -32.552 19.359 1.00 63.21 ATOM 1778 O SER 113 5.634 -32.467 19.524 1.00 75.42 ATOM 1779 N LEU 114 7.669 -31.510 19.460 1.00 53.01 ATOM 1780 HN LEU 114 8.632 -31.638 19.293 1.00 38.48 ATOM 1781 CA LEU 114 7.172 -30.176 19.777 1.00 15.35 ATOM 1782 HA LEU 114 6.521 -30.250 20.639 1.00 51.23 ATOM 1783 CB LEU 114 8.336 -29.245 20.121 1.00 54.42 ATOM 1784 HB1 LEU 114 7.928 -28.327 20.509 1.00 38.48 ATOM 1785 HB2 LEU 114 8.871 -29.018 19.205 1.00 21.34 ATOM 1786 CG LEU 114 9.353 -29.785 21.127 1.00 52.53 ATOM 1787 HG LEU 114 9.874 -30.617 20.696 1.00 50.40 ATOM 1788 CD1 LEU 114 10.386 -28.721 21.465 1.00 52.35 ATOM 1789 HD11 LEU 114 9.892 -27.798 21.737 1.00 73.14 ATOM 1790 HD12 LEU 114 11.023 -28.560 20.613 1.00 3.32 ATOM 1791 HD13 LEU 114 10.988 -29.055 22.292 1.00 52.11 ATOM 1792 CD2 LEU 114 8.651 -30.268 22.387 1.00 21.53 ATOM 1793 HD21 LEU 114 7.996 -31.093 22.149 1.00 72.40 ATOM 1794 HD22 LEU 114 8.073 -29.461 22.816 1.00 12.43 ATOM 1795 HD23 LEU 114 9.387 -30.600 23.108 1.00 22.41 ATOM 1796 C LEU 114 6.372 -29.601 18.613 1.00 41.15 ATOM 1797 O LEU 114 5.305 -29.019 18.806 1.00 52.44 ATOM 1798 N VAL 115 6.895 -29.770 17.402 1.00 32.31 ATOM 1799 HN VAL 115 7.748 -30.255 17.309 1.00 38.48 ATOM 1800 CA VAL 115 6.229 -29.272 16.205 1.00 55.50 ATOM 1801 HA VAL 115 6.111 -28.199 16.306 1.00 30.01 ATOM 1802 CB VAL 115 7.063 -29.551 14.941 1.00 51.53 ATOM 1803 HB VAL 115 7.197 -30.620 14.846 1.00 44.21 ATOM 1804 CG1 VAL 115 6.338 -29.050 13.701 1.00 51.41 ATOM 1805 HG11 VAL 115 6.995 -29.119 12.843 1.00 64.12 ATOM 1806 HG12 VAL 115 6.042 -28.019 13.838 1.00 13.14 ATOM 1807 HG13 VAL 115 5.462 -29.654 13.517 1.00 65.24 ATOM 1808 CG2 VAL 115 8.438 -28.911 15.059 1.00 63.41 ATOM 1809 HG21 VAL 115 9.160 -29.535 14.555 1.00 74.14 ATOM 1810 HG22 VAL 115 8.731 -28.793 16.090 1.00 45.44 ATOM 1811 HG23 VAL 115 8.435 -27.935 14.591 1.00 50.11 ATOM 1812 C VAL 115 4.850 -29.902 16.040 1.00 2.32 ATOM 1813 O VAL 115 3.915 -29.261 15.560 1.00 12.51 ATOM 1814 N THR 116 4.730 -31.163 16.442 1.00 23.33 ATOM 1815 HN THR 116 5.510 -31.635 16.815 1.00 38.48 ATOM 1816 CA THR 116 3.466 -31.882 16.339 1.00 44.41 ATOM 1817 HA THR 116 2.995 -31.619 15.398 1.00 1.40 ATOM 1818 CB THR 116 3.684 -33.406 16.350 1.00 63.41 ATOM 1819 HB THR 116 4.185 -33.679 17.269 1.00 52.42 ATOM 1820 OG1 THR 116 4.504 -33.792 15.241 1.00 72.22 ATOM 1821 HG1 THR 116 5.427 -33.630 15.451 1.00 12.21 ATOM 1822 CG2 THR 116 2.355 -34.143 16.285 1.00 21.44 ATOM 1823 HG21 THR 116 1.852 -34.080 17.239 1.00 4.54 ATOM 1824 HG22 THR 116 2.538 -35.181 16.050 1.00 21.02 ATOM 1825 HG23 THR 116 1.728 -33.711 15.516 1.00 12.15 ATOM 1826 C THR 116 2.526 -31.506 17.478 1.00 13.11 ATOM 1827 O THR 116 1.343 -31.242 17.259 1.00 74.42 ATOM 1828 N LEU 117 3.058 -31.482 18.695 1.00 31.20 ATOM 1829 HN LEU 117 4.010 -31.714 18.812 1.00 38.48 ATOM 1830 CA LEU 117 2.265 -31.137 19.870 1.00 23.42 ATOM 1831 HA LEU 117 1.525 -31.904 20.008 1.00 23.32 ATOM 1832 CB LEU 117 3.155 -31.091 21.114 1.00 75.40 ATOM 1833 HB1 LEU 117 4.049 -30.534 20.867 1.00 38.48 ATOM 1834 HB2 LEU 117 3.442 -32.107 21.350 1.00 12.10 ATOM 1835 CG LEU 117 2.532 -30.462 22.361 1.00 64.20 ATOM 1836 HG LEU 117 2.350 -29.414 22.187 1.00 61.45 ATOM 1837 CD1 LEU 117 1.195 -31.113 22.677 1.00 72.33 ATOM 1838 HD11 LEU 117 1.336 -32.177 22.810 1.00 15.31 ATOM 1839 HD12 LEU 117 0.491 -30.949 21.888 1.00 72.02 ATOM 1840 HD13 LEU 117 0.798 -30.700 23.592 1.00 42.11 ATOM 1841 CD2 LEU 117 3.479 -30.581 23.547 1.00 55.11 ATOM 1842 HD21 LEU 117 3.539 -31.605 23.866 1.00 24.03 ATOM 1843 HD22 LEU 117 3.120 -29.970 24.361 1.00 13.34 ATOM 1844 HD23 LEU 117 4.463 -30.249 23.253 1.00 21.33 ATOM 1845 C LEU 117 1.566 -29.795 19.681 1.00 44.02 ATOM 1846 O LEU 117 0.494 -29.559 20.236 1.00 43.41 ATOM 1847 N ASN 118 2.181 -28.920 18.891 1.00 12.13 ATOM 1848 HN ASN 118 3.057 -29.138 18.501 1.00 38.48 ATOM 1849 CA ASN 118 1.617 -27.601 18.627 1.00 34.31 ATOM 1850 HA ASN 118 1.193 -27.217 19.547 1.00 14.41 ATOM 1851 CB ASN 118 2.711 -26.640 18.159 1.00 51.12 ATOM 1852 HB1 ASN 118 3.322 -27.140 17.420 1.00 38.48 ATOM 1853 HB2 ASN 118 3.329 -26.364 18.988 1.00 53.02 ATOM 1854 CG ASN 118 2.145 -25.384 17.525 1.00 13.10 ATOM 1855 OD1 ASN 118 2.029 -25.290 16.303 1.00 2.20 ATOM 1856 ND2 ASN 118 1.789 -24.411 18.356 1.00 74.11 ATOM 1857 HD21 ASN 118 1.879 -24.555 19.293 1.00 44.13 ATOM 1858 HD22 ASN 118 1.445 -23.579 17.969 1.00 71.20 ATOM 1859 C ASN 118 0.512 -27.682 17.578 1.00 62.54 ATOM 1860 O ASN 118 -0.563 -27.106 17.745 1.00 21.44 ATOM 1861 N LYS 119 0.785 -28.402 16.495 1.00 73.35 ATOM 1862 HN LYS 119 1.667 -28.837 16.412 1.00 38.48 ATOM 1863 CA LYS 119 -0.185 -28.562 15.417 1.00 10.14 ATOM 1864 HA LYS 119 -0.497 -27.576 15.093 1.00 21.21 ATOM 1865 CB LYS 119 0.450 -29.299 14.237 1.00 64.35 ATOM 1866 HB1 LYS 119 -0.331 -29.669 13.582 1.00 38.48 ATOM 1867 HB2 LYS 119 1.007 -30.143 14.622 1.00 12.32 ATOM 1868 CG LYS 119 1.376 -28.430 13.403 1.00 55.30 ATOM 1869 HG1 LYS 119 1.857 -27.700 14.043 1.00 38.48 ATOM 1870 HG2 LYS 119 0.797 -27.915 12.652 1.00 12.23 ATOM 1871 CD LYS 119 2.456 -29.255 12.725 1.00 60.22 ATOM 1872 HD1 LYS 119 3.032 -29.774 13.471 1.00 38.48 ATOM 1873 HD2 LYS 119 3.101 -28.595 12.166 1.00 40.22 ATOM 1874 CE LYS 119 1.859 -30.279 11.772 1.00 62.24 ATOM 1875 HE1 LYS 119 1.269 -30.989 12.332 1.00 38.48 ATOM 1876 HE2 LYS 119 2.667 -30.800 11.279 1.00 31.20 ATOM 1877 NZ LYS 119 1.002 -29.639 10.736 1.00 71.13 ATOM 1878 HZ1 LYS 119 0.784 -30.327 9.987 1.00 70.31 ATOM 1879 HZ2 LYS 119 1.487 -28.824 10.305 1.00 43.41 ATOM 1880 HZ3 LYS 119 0.107 -29.316 11.156 1.00 25.41 ATOM 1881 C LYS 119 -1.416 -29.321 15.902 1.00 71.24 ATOM 1882 O LYS 119 -2.545 -28.856 15.748 1.00 53.50 ATOM 1883 N VAL 120 -1.191 -30.492 16.489 1.00 64.44 ATOM 1884 HN VAL 120 -0.265 -30.812 16.571 1.00 38.48 ATOM 1885 CA VAL 120 -2.281 -31.315 16.998 1.00 54.12 ATOM 1886 HA VAL 120 -2.858 -31.667 16.153 1.00 5.04 ATOM 1887 CB VAL 120 -1.750 -32.536 17.771 1.00 24.21 ATOM 1888 HB VAL 120 -2.591 -33.088 18.145 1.00 21.51 ATOM 1889 CG1 VAL 120 -0.970 -33.457 16.845 1.00 51.04 ATOM 1890 HG11 VAL 120 -0.138 -32.930 16.411 1.00 20.52 ATOM 1891 HG12 VAL 120 -1.620 -33.806 16.056 1.00 70.23 ATOM 1892 HG13 VAL 120 -0.604 -34.308 17.404 1.00 3.30 ATOM 1893 CG2 VAL 120 -0.887 -32.091 18.942 1.00 15.45 ATOM 1894 HG21 VAL 120 -1.529 -31.755 19.742 1.00 71.10 ATOM 1895 HG22 VAL 120 -0.251 -31.292 18.655 1.00 11.31 ATOM 1896 HG23 VAL 120 -0.288 -32.918 19.301 1.00 72.02 ATOM 1897 C VAL 120 -3.198 -30.508 17.911 1.00 24.42 ATOM 1898 O VAL 120 -4.399 -30.769 17.992 1.00 4.05 ATOM 1899 N THR 121 -2.623 -29.526 18.598 1.00 14.25 ATOM 1900 HN THR 121 -1.653 -29.376 18.531 1.00 38.48 ATOM 1901 CA THR 121 -3.388 -28.681 19.507 1.00 4.42 ATOM 1902 HA THR 121 -4.207 -29.259 19.916 1.00 52.21 ATOM 1903 CB THR 121 -2.518 -28.184 20.678 1.00 71.51 ATOM 1904 HB THR 121 -3.046 -27.401 21.208 1.00 14.40 ATOM 1905 OG1 THR 121 -1.281 -27.660 20.182 1.00 73.42 ATOM 1906 HG1 THR 121 -1.415 -26.763 19.865 1.00 30.00 ATOM 1907 CG2 THR 121 -2.239 -29.312 21.661 1.00 53.25 ATOM 1908 HG21 THR 121 -2.876 -29.195 22.525 1.00 73.32 ATOM 1909 HG22 THR 121 -1.212 -29.281 21.971 1.00 73.42 ATOM 1910 HG23 THR 121 -2.436 -30.274 21.204 1.00 1.32 ATOM 1911 C THR 121 -3.972 -27.477 18.777 1.00 13.35 ATOM 1912 O THR 121 -4.995 -26.928 19.186 1.00 33.20 ATOM 1913 N ALA 122 -3.316 -27.071 17.695 1.00 15.22 ATOM 1914 HN ALA 122 -2.480 -27.508 17.443 1.00 38.48 ATOM 1915 CA ALA 122 -3.774 -25.933 16.907 1.00 65.01 ATOM 1916 HA ALA 122 -3.796 -25.063 17.550 1.00 52.24 ATOM 1917 CB ALA 122 -2.800 -25.652 15.772 1.00 61.10 ATOM 1918 HB1 ALA 122 -1.809 -25.512 16.178 1.00 0.01 ATOM 1919 HB2 ALA 122 -3.102 -24.756 15.249 1.00 32.13 ATOM 1920 HB3 ALA 122 -2.790 -26.485 15.083 1.00 13.42 ATOM 1921 C ALA 122 -5.175 -26.174 16.357 1.00 71.04 ATOM 1922 O ALA 122 -5.959 -25.238 16.198 1.00 73.32 ATOM 1923 N ASP 123 -5.483 -27.433 16.067 1.00 73.22 ATOM 1924 HN ASP 123 -4.814 -28.144 16.202 1.00 38.48 ATOM 1925 CA ASP 123 -6.791 -27.797 15.534 1.00 32.22 ATOM 1926 HA ASP 123 -7.017 -27.126 14.712 1.00 64.21 ATOM 1927 CB ASP 123 -6.771 -29.234 15.011 1.00 24.20 ATOM 1928 HB1 ASP 123 -6.763 -29.927 15.843 1.00 38.48 ATOM 1929 HB2 ASP 123 -5.875 -29.380 14.424 1.00 62.31 ATOM 1930 CG ASP 123 -7.964 -29.547 14.130 1.00 15.15 ATOM 1931 OD1 ASP 123 -8.633 -30.572 14.380 1.00 42.32 ATOM 1932 OD2 ASP 123 -8.230 -28.767 13.191 1.00 21.34 ATOM 1933 C ASP 123 -7.873 -27.646 16.599 1.00 1.22 ATOM 1934 O ASP 123 -9.035 -27.386 16.285 1.00 43.41 ATOM 1935 N ILE 124 -7.483 -27.811 17.859 1.00 73.44 ATOM 1936 HN ILE 124 -6.542 -27.998 18.049 1.00 38.48 ATOM 1937 CA ILE 124 -8.420 -27.693 18.969 1.00 22.23 ATOM 1938 HA ILE 124 -9.220 -28.407 18.811 1.00 23.31 ATOM 1939 CB ILE 124 -7.742 -28.016 20.314 1.00 71.50 ATOM 1940 HB ILE 124 -6.986 -27.270 20.509 1.00 13.04 ATOM 1941 CG1 ILE 124 -7.078 -29.394 20.257 1.00 3.40 ATOM 1942 HG11 ILE 124 -6.357 -29.422 19.457 1.00 38.48 ATOM 1943 HG12 ILE 124 -7.831 -30.148 20.078 1.00 2.01 ATOM 1944 CG2 ILE 124 -8.757 -27.958 21.446 1.00 62.30 ATOM 1945 HG21 ILE 124 -8.277 -28.185 22.386 1.00 23.35 ATOM 1946 HG22 ILE 124 -9.544 -28.676 21.268 1.00 23.21 ATOM 1947 HG23 ILE 124 -9.186 -26.970 21.511 1.00 74.15 ATOM 1948 CD1 ILE 124 -6.350 -29.767 21.530 1.00 51.43 ATOM 1949 HD11 ILE 124 -5.754 -30.650 21.354 1.00 44.31 ATOM 1950 HD12 ILE 124 -7.067 -29.973 22.310 1.00 73.41 ATOM 1951 HD13 ILE 124 -5.705 -28.955 21.836 1.00 31.34 ATOM 1952 C ILE 124 -9.017 -26.292 19.038 1.00 51.22 ATOM 1953 O ILE 124 -10.174 -26.117 19.418 1.00 40.42 ATOM 1954 N GLY 125 -8.219 -25.295 18.665 1.00 35.31 ATOM 1955 HN GLY 125 -7.295 -25.473 18.385 1.00 38.48 ATOM 1956 CA GLY 125 -8.687 -23.922 18.690 1.00 52.22 ATOM 1957 HA1 GLY 125 -9.768 -23.889 18.618 1.00 38.48 ATOM 1958 HA2 GLY 125 -8.275 -23.408 17.834 1.00 11.50 ATOM 1959 C GLY 125 -8.258 -23.186 19.943 1.00 11.44 ATOM 1960 O GLY 125 -9.060 -22.974 20.854 1.00 75.12 ATOM 1961 N LEU 126 -6.989 -22.795 19.993 1.00 33.32 ATOM 1962 HN LEU 126 -6.394 -22.978 19.226 1.00 38.48 ATOM 1963 HA LEU 126 -7.016 -22.365 22.028 1.00 64.12 ATOM 1964 CB LEU 126 -4.988 -22.456 21.369 1.00 62.12 ATOM 1965 HB1 LEU 126 -4.573 -21.806 22.133 1.00 38.48 ATOM 1966 HB2 LEU 126 -4.463 -22.258 20.442 1.00 34.51 ATOM 1967 CG LEU 126 -4.721 -23.906 21.774 1.00 75.30 ATOM 1968 HG LEU 126 -5.312 -24.565 21.153 1.00 72.10 ATOM 1969 CD1 LEU 126 -3.257 -24.259 21.563 1.00 73.21 ATOM 1970 HD11 LEU 126 -2.637 -23.654 22.210 1.00 12.23 ATOM 1971 HD12 LEU 126 -2.984 -24.078 20.532 1.00 5.44 ATOM 1972 HD13 LEU 126 -3.104 -25.302 21.791 1.00 25.21 ATOM 1973 CD2 LEU 126 -5.124 -24.138 23.223 1.00 13.20 ATOM 1974 HD21 LEU 126 -6.175 -23.917 23.347 1.00 2.33 ATOM 1975 HD22 LEU 126 -4.544 -23.496 23.871 1.00 2.31 ATOM 1976 HD23 LEU 126 -4.945 -25.171 23.488 1.00 30.34 ATOM 1977 CA LEU 126 -6.454 -22.080 21.146 1.00 45.41 ATOM 1978 C LEU 126 -6.580 -20.571 20.957 1.00 21.32 ATOM 1979 OT1 LEU 126 -6.080 -20.055 19.933 1.00 38.48 ATOM 1980 OT2 LEU 126 -7.179 -19.913 21.835 1.00 38.48 ATOM 1981 OH2 TIP3 1 -8.615 -47.832 19.097 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -8.526 -46.888 18.965 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -9.254 -48.107 18.439 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -9.682 -48.577 22.516 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -9.720 -49.223 23.221 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -10.005 -49.043 21.745 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -8.865 -40.533 21.030 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -8.245 -41.210 20.757 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -9.073 -40.751 21.938 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.152 -51.750 23.250 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -8.009 -52.697 23.270 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.258 -51.543 22.321 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -2.238 -53.065 26.019 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -2.927 -52.407 25.924 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -2.223 -53.262 26.956 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -8.818 -45.231 18.140 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -9.114 -45.553 17.289 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.142 -44.331 18.182 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -7.212 -42.017 19.791 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -6.787 -42.724 19.306 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -6.895 -41.216 19.374 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.053 -44.116 18.300 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -6.310 -44.806 17.688 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -5.982 -44.559 19.145 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -4.367 -45.550 26.777 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -4.227 -46.141 26.038 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -4.199 -44.677 26.421 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -6.488 -48.378 17.501 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -7.220 -48.150 18.074 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -6.041 -49.092 17.956 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -6.591 -50.204 26.569 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -6.511 -49.441 27.141 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -7.192 -49.925 25.878 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -8.167 -43.476 23.751 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -8.408 -42.814 24.399 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.365 -44.310 24.176 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.617 -49.216 15.186 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -7.038 -49.066 15.933 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -7.203 -48.745 14.463 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -9.891 -42.479 18.621 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -9.417 -42.184 19.399 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -10.454 -41.741 18.388 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -2.729 -43.100 13.376 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -2.656 -42.161 13.546 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -1.824 -43.405 13.319 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.833 -43.295 27.230 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.746 -42.469 27.705 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -11.697 -43.625 27.479 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -10.419 -39.523 17.036 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -10.494 -39.644 16.090 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -10.386 -38.573 17.155 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -7.317 -40.369 14.039 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.942 -41.113 13.568 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -7.313 -40.639 14.957 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -7.648 -40.443 16.788 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -8.583 -40.343 16.967 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -7.368 -41.152 17.366 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.264 -51.473 20.465 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -8.459 -50.868 19.750 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.082 -52.307 20.030 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -9.000 -49.835 25.136 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.676 -50.466 24.493 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.440 -50.370 25.797 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -7.962 -43.873 27.093 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -8.863 -43.690 26.825 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -7.928 -43.614 28.014 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -2.231 -51.628 15.460 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -2.785 -52.024 14.788 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -2.130 -50.718 15.183 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -2.267 -45.828 28.297 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -3.119 -45.590 27.930 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -1.677 -45.845 27.544 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -3.935 -42.842 15.925 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -4.308 -43.668 16.235 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -3.658 -43.025 15.028 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -6.775 -48.034 22.947 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -7.703 -48.266 22.920 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -6.324 -48.811 22.617 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -12.290 -41.894 24.971 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -11.927 -41.039 24.738 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -11.758 -42.186 25.712 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -8.746 -45.795 24.672 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -9.172 -46.022 25.498 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -8.165 -46.533 24.489 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -2.039 -40.386 13.947 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -1.296 -39.800 13.807 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -2.734 -39.818 14.280 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -5.677 -46.193 15.972 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -5.954 -46.921 16.528 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.750 -46.074 16.178 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.904 -50.245 21.486 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.701 -50.660 21.157 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.459 -50.936 21.977 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.929 -43.019 29.685 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.280 -43.875 29.928 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.203 -42.876 30.292 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -6.806 -46.622 27.106 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.061 -46.034 26.986 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -7.563 -46.040 27.169 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -4.087 -44.982 30.897 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -4.953 -45.087 31.291 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -3.711 -44.223 31.344 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -2.786 -46.725 16.411 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -1.936 -46.304 16.539 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -2.781 -47.465 17.019 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -2.124 -48.771 14.626 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -2.645 -48.414 13.907 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -2.157 -48.096 15.304 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -4.605 -50.151 18.798 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -4.755 -51.096 18.778 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -4.959 -49.870 19.642 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -3.749 -48.181 28.437 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -3.166 -48.915 28.628 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -3.185 -47.409 28.483 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -2.252 -50.278 29.121 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -3.115 -50.657 28.956 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -1.648 -51.017 29.047 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -4.895 -52.568 17.260 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -4.615 -53.475 17.385 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.136 -52.134 16.871 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.283 -51.987 22.696 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -3.350 -51.775 22.662 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.518 -51.885 23.619 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -4.254 -51.250 25.472 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.097 -50.982 25.838 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -3.811 -50.428 25.261 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -10.713 -40.946 28.670 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -10.528 -41.280 29.548 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.866 -40.637 28.348 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -8.368 -39.661 27.914 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.691 -40.293 27.674 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -8.046 -39.259 28.722 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -10.444 -39.601 23.964 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -10.901 -39.072 23.310 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -10.281 -38.998 24.689 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.865 -40.533 39.886 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.245 -41.210 39.613 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -9.073 -40.751 40.794 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.464 -43.798 42.022 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -6.406 -43.740 42.183 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.188 -42.892 41.885 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.212 -42.017 38.647 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -6.787 -42.724 38.162 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.895 -41.216 38.230 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -6.053 -44.116 37.156 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -6.310 -44.806 36.544 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -5.982 -44.559 38.001 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -2.729 -43.100 32.232 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.656 -42.161 32.402 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.824 -43.405 32.175 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -1.812 -42.869 47.210 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -1.861 -43.824 47.173 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.638 -42.601 47.612 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.317 -40.369 32.895 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -6.942 -41.113 32.424 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -7.313 -40.639 33.813 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -7.648 -40.443 35.644 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -8.583 -40.343 35.823 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -7.368 -41.152 36.222 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -4.530 -39.001 48.317 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -4.330 -38.577 47.482 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -3.874 -38.658 48.924 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.935 -42.842 34.781 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.308 -43.668 35.091 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.658 -43.025 33.884 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.543 -44.866 32.602 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.190 -45.246 33.406 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -7.492 -44.959 32.688 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.087 -41.243 45.997 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -6.689 -41.798 45.502 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -5.806 -40.576 45.371 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.039 -40.386 32.803 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.296 -39.800 32.663 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -2.734 -39.818 33.136 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.817 -40.989 41.964 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.973 -40.311 41.307 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -3.885 -40.917 42.167 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.810 -42.074 31.421 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.527 -42.868 31.874 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.070 -41.841 30.860 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -3.245 -47.594 31.292 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -3.518 -48.019 30.479 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -3.205 -46.663 31.075 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.538 -40.772 45.115 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.025 -41.507 44.744 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -1.989 -41.165 45.793 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -2.786 -46.725 35.267 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -1.936 -46.304 35.395 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.781 -47.465 35.875 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -2.633 -45.887 42.039 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -1.799 -46.265 41.758 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -2.521 -44.944 41.920 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -4.146 -43.009 44.346 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -4.794 -42.684 44.971 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -4.664 -43.449 43.671 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.363 -40.249 37.765 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -4.710 -40.596 37.157 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -4.852 -39.760 38.411 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -8.117 -40.723 43.765 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -9.021 -40.558 43.499 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -7.688 -39.870 43.699 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -5.512 -39.153 44.060 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.694 -38.237 43.849 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -5.336 -39.563 43.213 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -3.383 -40.469 35.773 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -3.577 -41.217 35.208 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -3.422 -39.711 35.189 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -4.165 -41.718 47.923 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -4.947 -41.904 47.403 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -4.237 -40.789 48.140 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.238 -34.209 7.163 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -2.927 -33.551 7.068 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.223 -34.406 8.100 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -4.367 -26.694 7.921 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -4.227 -27.285 7.182 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.199 -25.821 7.565 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -2.525 -30.354 5.987 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.177 -29.659 6.076 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.060 -30.144 5.177 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -6.591 -31.348 7.713 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -6.511 -30.585 8.285 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -7.192 -31.069 7.022 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -13.596 -25.724 8.878 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -13.908 -24.942 9.334 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -14.246 -25.877 8.192 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.812 -24.013 9.498 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.861 -24.968 9.461 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -2.638 -23.745 9.900 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -10.833 -24.439 8.374 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -10.746 -23.613 8.849 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -11.697 -24.769 8.623 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.660 -32.520 9.978 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.067 -32.039 9.258 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -4.619 -33.425 9.671 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -6.903 -34.188 8.199 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -7.417 -34.314 8.996 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -7.058 -33.276 7.954 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -10.166 -31.888 10.283 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -10.729 -32.592 10.603 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -9.340 -32.008 10.750 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -9.000 -30.979 6.280 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -8.676 -31.610 5.637 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.440 -31.514 6.941 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -4.530 -20.145 10.605 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -4.330 -19.721 9.770 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -3.874 -19.802 11.212 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -4.582 -28.530 5.836 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -3.940 -28.073 5.293 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -5.412 -28.417 5.374 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -10.212 -27.479 8.287 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -10.558 -27.860 9.093 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -10.412 -26.545 8.358 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -12.582 -30.390 10.347 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -12.878 -30.556 9.452 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -11.651 -30.610 10.337 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -7.962 -25.017 8.237 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -8.863 -24.834 7.969 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -7.928 -24.758 9.158 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -2.267 -26.972 9.441 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -3.119 -26.734 9.074 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -1.677 -26.989 8.688 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -8.746 -26.939 5.816 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -9.172 -27.166 6.642 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -8.165 -27.677 5.633 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -10.710 -33.047 7.699 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -10.591 -32.473 8.456 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -10.055 -33.735 7.814 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -7.929 -24.163 10.829 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -8.280 -25.019 11.072 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -7.203 -24.020 11.436 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -12.541 -27.682 10.867 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -12.869 -27.411 10.009 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -12.389 -28.623 10.779 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -6.806 -27.766 8.250 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -6.061 -27.178 8.130 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -7.563 -27.184 8.313 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -12.083 -30.279 7.043 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -11.332 -30.435 6.470 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -12.422 -29.427 6.767 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -15.599 -32.890 11.222 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -16.366 -33.422 11.012 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -14.920 -33.200 10.623 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -11.595 -33.940 10.798 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -11.831 -34.160 11.700 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -12.378 -34.147 10.289 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.879 -34.813 9.874 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -9.827 -34.781 10.006 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.567 -35.438 10.528 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -7.245 -36.179 11.879 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -7.342 -37.131 11.873 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -7.567 -35.910 12.740 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -2.633 -27.031 4.327 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -1.799 -27.409 4.046 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -2.521 -26.088 4.208 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -3.749 -29.325 9.581 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -3.166 -30.059 9.772 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -3.185 -28.553 9.627 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -4.254 -32.394 6.616 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -5.097 -32.126 6.982 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -3.811 -31.572 6.405 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -1.971 -38.414 11.970 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -1.621 -39.068 11.364 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -1.824 -37.577 11.530 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -2.451 -36.305 10.319 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -3.368 -36.034 10.283 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -2.328 -36.840 9.535 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -10.713 -22.090 9.814 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -10.528 -22.424 10.692 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -9.866 -21.781 9.492 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -4.165 -22.862 10.211 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -4.947 -23.048 9.691 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -4.237 -21.933 10.428 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -16.390 -25.656 22.644 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -16.760 -26.458 22.275 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -15.449 -25.825 22.691 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -7.275 -34.662 18.923 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -6.629 -34.991 19.548 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -6.765 -34.144 18.300 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.221 -30.846 20.500 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -12.605 -31.372 21.009 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -13.807 -31.486 20.096 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -13.618 -28.199 24.884 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -14.358 -27.601 24.987 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -12.904 -27.645 24.568 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -15.210 -26.235 25.671 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -15.216 -25.356 25.293 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -16.064 -26.318 26.096 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -12.161 -38.569 22.049 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -12.278 -39.518 21.995 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -13.016 -38.237 22.322 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -14.843 -28.892 19.384 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -15.173 -29.262 18.565 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -14.255 -29.562 19.730 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -13.476 -25.464 22.065 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -13.571 -26.042 21.308 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -12.747 -25.835 22.561 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -14.476 -30.123 23.017 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -13.911 -30.002 22.254 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -14.157 -29.486 23.656 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.919 -38.610 14.999 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -4.818 -38.471 15.294 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -3.667 -37.779 14.597 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -15.853 -29.822 16.973 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -16.145 -29.054 16.482 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -16.527 -30.482 16.810 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -10.833 -24.439 27.230 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -10.746 -23.613 27.705 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -11.697 -24.769 27.479 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.419 -20.667 17.036 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.494 -20.788 16.090 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -10.386 -19.717 17.155 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -16.765 -21.878 18.817 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -16.613 -22.226 19.696 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -17.616 -22.234 18.562 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -7.317 -21.513 14.039 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -6.942 -22.257 13.568 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -7.313 -21.783 14.957 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -10.229 -37.944 26.201 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -9.809 -38.359 26.954 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -11.162 -38.122 26.318 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.567 -35.451 13.486 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.821 -35.432 14.409 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -10.824 -36.323 13.185 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -14.804 -32.479 18.834 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -15.697 -32.820 18.775 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -14.353 -32.856 18.078 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -10.166 -31.888 29.139 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -10.729 -32.592 29.459 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.340 -32.008 29.606 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -13.685 -35.006 12.587 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -14.116 -35.451 13.317 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -14.403 -34.634 12.075 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -9.000 -30.979 25.136 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -8.676 -31.610 24.493 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -9.440 -31.514 25.797 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.222 -35.052 19.920 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -13.133 -34.995 20.209 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -11.717 -35.112 20.731 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -13.741 -33.423 16.403 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -12.809 -33.294 16.581 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -13.956 -32.753 15.754 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -15.067 -32.228 13.970 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -15.609 -32.608 13.279 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -14.233 -32.034 13.541 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -4.530 -20.145 29.461 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -4.330 -19.721 28.626 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -3.874 -19.802 30.068 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.902 -32.264 21.807 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -10.338 -32.811 21.260 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -11.050 -32.786 22.596 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -12.276 -33.876 24.221 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -13.111 -33.422 24.331 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.752 -33.600 24.973 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.834 -34.849 14.105 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.772 -34.737 13.954 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.537 -33.992 14.411 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -10.212 -27.479 27.143 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.558 -27.860 27.949 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.412 -26.545 27.214 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -16.607 -28.368 21.675 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -15.862 -28.370 21.074 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -16.529 -29.192 22.157 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -12.582 -30.390 29.203 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -12.878 -30.556 28.308 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -11.651 -30.610 29.193 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -7.962 -25.017 27.093 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -8.863 -24.834 26.825 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -7.928 -24.758 28.014 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -14.232 -24.850 19.080 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -13.705 -24.077 18.879 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -15.112 -24.625 18.778 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -12.290 -23.038 24.971 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.927 -22.183 24.738 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -11.758 -23.330 25.712 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -14.121 -22.165 18.201 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -15.071 -22.060 18.253 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -13.770 -21.345 18.546 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -6.087 -22.387 27.141 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -6.689 -22.942 26.646 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -5.806 -21.720 26.515 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -2.039 -21.530 13.947 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -1.296 -20.944 13.807 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -2.734 -20.962 14.280 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.452 -24.898 12.193 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.213 -25.646 11.645 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -12.721 -25.286 13.025 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -13.515 -25.328 14.649 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -13.368 -25.848 15.439 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -13.518 -24.421 14.955 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -8.446 -35.761 16.535 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -8.226 -35.289 15.732 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -7.888 -35.366 17.206 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -11.246 -34.033 17.370 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -10.434 -33.529 17.416 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -11.491 -34.178 18.284 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.710 -33.047 26.555 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.591 -32.473 27.312 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.055 -33.735 26.670 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.362 -36.952 18.308 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.709 -36.334 18.953 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -9.704 -36.451 17.827 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -13.439 -22.587 15.380 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -13.278 -21.787 14.879 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -13.636 -22.280 16.265 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -16.446 -25.461 14.056 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -15.854 -24.762 14.332 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -15.987 -25.894 13.337 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -10.414 -23.035 12.331 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -11.058 -23.666 12.653 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.652 -23.566 12.099 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -5.810 -23.218 12.565 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -5.527 -24.012 13.018 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -5.070 -22.985 12.004 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -14.855 -27.308 12.422 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -14.791 -28.102 12.953 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -14.202 -27.427 11.733 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -12.541 -27.682 29.723 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.869 -27.411 28.865 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -12.389 -28.623 29.635 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -13.706 -29.336 14.728 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -14.165 -29.820 15.414 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -13.451 -30.004 14.092 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -12.635 -31.093 12.991 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -12.815 -31.247 12.063 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -11.684 -30.985 13.035 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.397 -28.972 30.362 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.444 -28.888 30.334 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.557 -29.683 30.981 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -13.665 -35.718 25.659 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -13.129 -35.267 25.007 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -14.517 -35.826 25.237 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.083 -30.279 25.899 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.332 -30.435 25.326 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.422 -29.427 25.623 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.859 -38.262 26.091 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.957 -37.315 25.985 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.602 -38.634 25.615 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.595 -33.940 29.654 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.831 -34.160 30.556 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -12.378 -34.147 29.145 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -8.879 -34.813 28.730 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.827 -34.781 28.862 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.567 -35.438 29.384 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -7.245 -36.179 30.735 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -7.342 -37.131 30.729 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -7.567 -35.910 31.596 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.637 -38.968 28.762 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -11.925 -39.608 28.748 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -12.738 -38.701 27.848 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -12.284 -37.285 30.816 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.415 -37.761 29.995 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -12.883 -36.541 30.760 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -12.737 -20.402 13.992 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -11.804 -20.244 14.136 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -13.001 -19.727 13.367 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -3.775 -32.675 13.177 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.678 -32.008 12.497 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -3.915 -33.491 12.695 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.527 -35.267 12.294 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -3.917 -35.639 12.931 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.364 -35.689 12.490 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -2.415 -36.382 13.837 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -2.002 -37.103 13.361 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -1.733 -35.712 13.895 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -15.024 -23.489 25.711 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -15.449 -22.680 25.428 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.119 -23.404 25.409 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -10.713 -22.090 28.670 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.528 -22.424 29.548 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.866 -21.781 28.348 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -8.368 -20.805 27.914 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -7.691 -21.437 27.674 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -8.046 -20.403 28.722 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -15.155 -20.633 24.788 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -16.020 -20.561 25.192 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -15.210 -20.086 24.004 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -16.066 -22.900 21.324 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -16.285 -23.816 21.493 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -15.242 -22.760 21.790 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -13.529 -22.430 22.172 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -13.316 -23.318 21.885 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -13.464 -22.464 23.127 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -10.020 -36.766 21.317 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -10.695 -37.395 21.572 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -9.456 -37.250 20.714 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -6.204 -38.149 16.294 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -6.907 -37.535 16.084 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -6.649 -38.987 16.425 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.970 -36.125 15.842 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.792 -36.771 16.525 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.024 -35.291 16.309 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.092 -21.176 14.237 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -9.226 -20.810 14.059 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.339 -21.616 13.424 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -3.383 -21.613 16.917 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -3.577 -22.361 16.352 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -3.422 -20.855 16.333 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -7.341 -38.935 30.374 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.265 -39.361 31.228 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -6.448 -38.921 30.032 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.615 -28.976 37.953 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.526 -28.032 37.821 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -9.254 -29.251 37.295 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.976 -26.782 39.674 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -6.417 -27.502 40.124 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -5.989 -26.061 40.304 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -7.275 -34.662 37.779 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -6.629 -34.991 38.404 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -6.765 -34.144 37.156 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -2.238 -34.209 44.875 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -2.927 -33.551 44.780 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -2.223 -34.406 45.812 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -8.818 -26.375 36.996 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.114 -26.697 36.145 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.142 -25.475 37.038 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.511 -35.371 39.760 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.726 -36.137 40.292 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.855 -34.899 40.273 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -5.164 -36.656 43.439 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -5.900 -36.045 43.401 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -4.480 -36.241 42.913 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -6.053 -25.260 37.156 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -6.310 -25.950 36.544 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -5.982 -25.703 38.001 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -9.894 -29.732 35.405 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -10.606 -29.197 35.054 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -9.203 -29.676 34.745 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -2.525 -30.354 43.699 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -3.177 -29.659 43.788 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.060 -30.144 42.889 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -3.919 -38.610 33.855 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -4.818 -38.471 34.150 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -3.667 -37.779 33.453 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -7.317 -21.513 32.895 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -6.942 -22.257 32.424 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -7.313 -21.783 33.813 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -7.648 -21.587 35.644 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.583 -21.487 35.823 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -7.368 -22.296 36.222 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -10.567 -35.451 32.342 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.821 -35.432 33.265 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -10.824 -36.323 32.041 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.268 -32.063 36.507 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.677 -31.248 36.215 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -8.548 -32.203 35.892 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -8.264 -32.617 39.321 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.459 -32.012 38.606 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.082 -33.451 38.886 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -7.817 -35.817 42.040 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -8.494 -35.686 42.704 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -8.303 -35.972 41.230 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -11.732 -27.663 34.762 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -12.476 -28.170 34.439 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -11.866 -27.614 35.708 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -9.606 -26.204 33.787 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -9.901 -25.378 34.169 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -10.309 -26.824 33.983 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -3.935 -23.986 34.781 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -4.308 -24.812 35.091 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -3.658 -24.169 33.884 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -2.039 -21.530 32.803 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -1.296 -20.944 32.663 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -2.734 -20.962 33.136 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.452 -24.898 31.049 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -12.213 -25.646 30.501 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -12.721 -25.286 31.881 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -8.446 -35.761 35.391 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -8.226 -35.289 34.588 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.888 -35.366 36.062 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.777 -23.630 34.254 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -11.594 -23.133 34.307 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -10.248 -23.155 33.614 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -11.246 -34.033 36.226 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -10.434 -33.529 36.272 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -11.491 -34.178 37.140 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -10.362 -36.952 37.164 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -10.709 -36.334 37.809 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -9.704 -36.451 36.683 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -4.506 -35.140 46.246 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.422 -34.877 46.158 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -4.170 -35.143 45.349 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -5.904 -31.389 40.342 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -6.701 -31.804 40.013 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -5.459 -32.080 40.833 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -10.414 -23.035 31.187 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -11.058 -23.666 31.509 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -9.652 -23.566 30.955 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -5.810 -23.218 31.421 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -5.527 -24.012 31.874 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -5.070 -22.985 30.860 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -13.706 -29.336 33.584 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -14.165 -29.820 34.270 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -13.451 -30.004 32.948 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -12.635 -31.093 31.847 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -12.815 -31.247 30.919 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -11.684 -30.985 31.891 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -2.633 -27.031 42.039 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -1.799 -27.409 41.758 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -2.521 -26.088 41.920 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -4.283 -33.131 41.552 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -3.350 -32.919 41.518 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -4.518 -33.029 42.475 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -4.254 -32.394 44.328 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -5.097 -32.126 44.694 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -3.811 -31.572 44.117 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -2.451 -36.305 48.031 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.368 -36.034 47.995 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.328 -36.840 47.247 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -3.450 -38.215 45.850 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.263 -37.890 45.462 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.217 -38.975 45.317 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -7.557 -38.175 39.457 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -7.481 -38.080 38.508 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -7.833 -39.083 39.586 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -6.204 -38.149 35.150 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.907 -37.535 34.940 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.649 -38.987 35.281 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -11.970 -36.125 34.698 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -11.792 -36.771 35.381 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -12.024 -35.291 35.165 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -10.092 -21.176 33.093 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -9.226 -20.810 32.915 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -10.339 -21.616 32.280 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -3.383 -21.613 35.773 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -3.577 -22.361 35.208 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.422 -20.855 35.189 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -1.971 -19.558 11.970 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -1.621 -20.212 11.364 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -1.824 -18.721 11.530 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -7.341 -20.079 11.518 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -7.265 -20.505 12.372 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -6.448 -20.065 11.176 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -2.630 -16.831 23.783 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -2.581 -16.221 24.519 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -2.204 -16.370 23.060 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -8.152 -14.038 23.250 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -8.009 -14.985 23.270 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -8.258 -13.831 22.321 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -7.275 -15.806 18.923 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -6.629 -16.135 19.548 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -6.765 -15.288 18.300 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -2.238 -15.353 26.019 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.927 -14.695 25.924 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -2.223 -15.550 26.956 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -5.164 -17.800 24.583 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -5.900 -17.189 24.545 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -4.480 -17.385 24.057 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -12.161 -19.713 22.049 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -12.278 -20.662 21.995 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -13.016 -19.381 22.322 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -2.525 -11.498 24.843 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -3.177 -10.803 24.932 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -2.060 -11.288 24.033 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -3.919 -19.754 14.999 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.818 -19.615 15.294 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.667 -18.923 14.597 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -14.892 -18.810 22.827 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -15.753 -18.897 22.419 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -14.914 -17.954 23.254 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -10.229 -19.088 26.201 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -9.809 -19.503 26.954 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -11.162 -19.266 26.318 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -6.903 -15.332 27.055 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -7.417 -15.458 27.852 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -7.058 -14.420 26.810 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -9.268 -13.207 17.651 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -9.677 -12.392 17.359 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -8.548 -13.347 17.036 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -8.264 -13.761 20.465 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -8.459 -13.156 19.750 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -8.082 -14.595 20.030 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -12.222 -16.196 19.920 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -13.133 -16.139 20.209 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -11.717 -16.256 20.731 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -10.902 -13.408 21.807 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -10.338 -13.955 21.260 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -11.050 -13.930 22.596 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -12.276 -15.020 24.221 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -13.111 -14.566 24.331 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -11.752 -14.744 24.973 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -7.834 -15.993 14.105 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.772 -15.881 13.954 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -7.537 -15.136 14.411 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -7.116 -14.126 15.766 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -6.224 -14.263 16.085 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -7.059 -13.335 15.229 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -9.230 -16.557 25.438 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -8.532 -16.483 26.088 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -9.611 -17.421 25.593 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -8.446 -16.905 16.535 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -8.226 -16.433 15.732 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.888 -16.510 17.206 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -11.246 -15.177 17.370 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -10.434 -14.673 17.416 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -11.491 -15.322 18.284 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -10.362 -18.096 18.308 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -10.709 -17.478 18.953 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -9.704 -17.595 17.827 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -4.506 -16.284 27.390 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.422 -16.021 27.302 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -4.170 -16.287 26.493 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -5.904 -12.533 21.486 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -6.701 -12.948 21.157 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -5.459 -13.224 21.977 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -12.859 -19.406 26.091 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -12.957 -18.459 25.985 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -13.602 -19.778 25.615 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -4.605 -12.439 18.798 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.755 -13.384 18.778 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.959 -12.158 19.642 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.252 -12.566 29.121 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.115 -12.945 28.956 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.648 -13.305 29.047 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.895 -14.856 17.260 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.615 -15.763 17.385 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -4.136 -14.422 16.871 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -4.283 -14.275 22.696 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -3.350 -14.063 22.662 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -4.518 -14.173 23.619 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -4.254 -13.538 25.472 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -5.097 -13.270 25.838 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -3.811 -12.716 25.261 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -1.971 -19.558 30.826 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -1.621 -20.212 30.220 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -1.824 -18.721 30.386 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.281 -17.593 17.309 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.099 -18.042 18.134 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -4.881 -18.178 16.845 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -2.451 -17.449 29.175 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -3.368 -17.178 29.139 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.328 -17.984 28.391 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -2.415 -17.526 13.837 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -2.002 -18.247 13.361 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -1.733 -16.856 13.895 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -3.450 -19.359 26.994 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -4.263 -19.034 26.606 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -3.217 -20.119 26.461 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -13.114 -19.349 18.952 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -12.240 -18.961 18.922 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -13.250 -19.564 19.875 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -11.970 -17.269 15.842 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -11.792 -17.915 16.525 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -12.024 -16.435 16.309 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -7.341 -20.079 30.374 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -7.265 -20.505 31.228 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -6.448 -20.065 30.032 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.919 -19.754 33.855 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -4.818 -19.615 34.150 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -3.667 -18.923 33.453 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -2.415 -17.526 32.693 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -2.002 -18.247 32.217 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -1.733 -16.856 32.751 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 5.260 -44.580 8.878 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 4.948 -43.798 9.334 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 4.610 -44.733 8.192 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 3.499 -42.508 9.642 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 3.507 -42.644 8.694 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 2.583 -42.626 9.894 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 17.044 -42.869 9.498 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 16.995 -43.824 9.461 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 16.218 -42.601 9.900 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 8.023 -43.295 8.374 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 8.110 -42.469 8.849 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 7.159 -43.625 8.623 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 14.326 -39.001 10.605 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 14.526 -38.577 9.770 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 14.982 -38.658 11.212 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 12.769 -41.243 8.285 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 12.167 -41.798 7.790 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 13.050 -40.576 7.659 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -0.247 -40.318 10.480 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 0.293 -40.535 11.239 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -0.728 -41.124 10.290 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 10.927 -43.019 10.829 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 10.576 -43.875 11.072 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 11.653 -42.876 11.436 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 6.315 -46.538 10.867 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 5.987 -46.267 10.009 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 6.467 -47.479 10.779 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 16.318 -40.772 7.403 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 15.831 -41.507 7.032 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 16.867 -41.165 8.081 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 14.769 -44.982 12.041 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 13.903 -45.087 12.435 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 15.145 -44.223 12.488 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 0.878 -43.320 10.596 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 0.057 -43.145 10.136 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 0.626 -43.393 11.517 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 3.832 -42.345 6.855 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 3.407 -41.536 6.572 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 4.737 -42.260 6.553 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 8.143 -40.946 9.814 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 8.328 -41.280 10.692 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 8.990 -40.637 9.492 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 10.488 -39.661 9.058 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 11.165 -40.293 8.818 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 10.810 -39.259 9.866 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 1.234 -39.089 6.902 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 0.514 -38.649 6.451 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 0.868 -39.340 7.751 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 3.701 -39.489 5.932 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 2.836 -39.417 6.336 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 3.646 -38.942 5.148 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 14.691 -41.718 10.211 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 13.909 -41.904 9.691 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 14.619 -40.789 10.428 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 10.241 -47.832 19.097 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 10.330 -46.888 18.965 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 9.602 -48.107 18.439 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 9.174 -48.577 22.516 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 9.136 -49.223 23.221 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 8.851 -49.043 21.745 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 1.542 -48.962 24.109 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 1.584 -49.588 24.833 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 2.245 -48.339 24.291 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 2.466 -44.512 22.644 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 2.096 -45.314 22.275 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 3.407 -44.681 22.691 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -0.924 -50.852 18.037 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -1.372 -50.006 18.019 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -1.485 -51.432 17.522 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 7.563 -46.144 22.922 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 7.867 -46.830 22.328 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 8.285 -46.026 23.540 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 10.704 -51.750 23.250 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 10.847 -52.697 23.270 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 10.598 -51.543 22.321 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 0.479 -51.252 21.284 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 1.133 -51.802 21.716 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 0.503 -51.526 20.368 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 10.038 -45.231 18.140 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 9.742 -45.553 17.289 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 9.714 -44.331 18.182 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 5.238 -47.055 24.884 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 4.498 -46.457 24.987 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 5.952 -46.501 24.568 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 3.646 -45.091 25.671 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.640 -44.212 25.293 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 2.792 -45.174 26.096 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -0.233 -45.420 16.453 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -0.505 -45.191 15.564 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -0.188 -44.582 16.913 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 16.331 -49.210 24.843 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 15.679 -48.515 24.932 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 16.796 -49.000 24.033 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 12.368 -48.378 17.501 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 11.636 -48.150 18.074 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 12.815 -49.092 17.956 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 12.265 -50.204 26.569 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 12.345 -49.441 27.141 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 11.664 -49.925 25.878 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 4.013 -47.748 19.384 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 3.683 -48.118 18.565 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 4.601 -48.418 19.730 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 4.380 -48.979 23.017 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 4.945 -48.858 22.254 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 4.699 -48.342 23.656 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 5.260 -44.580 27.734 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 4.948 -43.798 28.190 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 4.610 -44.733 27.048 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 11.239 -49.216 15.186 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 11.818 -49.066 15.933 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 11.653 -48.745 14.463 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 2.180 -48.382 26.963 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 2.250 -47.731 27.661 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 1.289 -48.279 26.628 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 3.003 -48.678 16.973 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 2.711 -47.910 16.482 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 2.329 -49.338 16.810 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 16.127 -43.100 13.376 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 16.200 -42.161 13.546 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 17.032 -43.405 13.319 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 8.023 -43.295 27.230 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 8.110 -42.469 27.705 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 7.159 -43.625 27.479 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 11.539 -40.369 14.039 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 11.914 -41.113 13.568 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 11.543 -40.639 14.957 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 1.345 -44.992 26.831 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.562 -45.353 27.691 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 0.490 -45.366 26.621 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 12.716 -48.183 12.816 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 12.758 -48.406 11.886 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 13.565 -47.785 13.006 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.592 -51.473 20.465 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 10.397 -50.868 19.750 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 10.774 -52.307 20.030 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 1.805 -51.236 25.789 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 1.767 -50.836 26.657 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.314 -52.053 25.879 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -1.587 -54.120 19.639 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -0.956 -54.149 20.359 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -1.137 -54.545 18.909 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 9.856 -49.835 25.136 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 10.180 -50.466 24.493 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 9.416 -50.370 25.797 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 1.462 -52.279 18.747 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 0.573 -52.179 18.407 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 1.758 -53.121 18.401 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 1.924 -46.527 29.069 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 2.657 -46.273 29.630 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 1.144 -46.323 29.584 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 7.124 -46.519 15.906 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 6.380 -47.026 15.583 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 6.990 -46.470 16.852 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 8.644 -46.335 27.143 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 8.298 -46.716 27.949 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 8.444 -45.401 27.214 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 2.249 -47.224 21.675 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 2.994 -47.226 21.074 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 2.327 -48.048 22.157 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 9.250 -45.060 14.931 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 8.955 -44.234 15.313 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 8.547 -45.680 15.127 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -0.743 -48.763 26.990 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -0.520 -49.181 27.822 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -1.345 -49.376 26.568 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 6.274 -49.246 29.203 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.978 -49.412 28.308 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 7.205 -49.466 29.193 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 12.081 -48.034 22.947 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.153 -48.266 22.920 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 12.532 -48.811 22.617 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 6.051 -46.043 18.656 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 5.810 -45.118 18.698 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 5.311 -46.502 19.052 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 12.313 -44.866 13.746 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 12.666 -45.246 14.550 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 11.364 -44.959 13.832 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 13.179 -46.193 15.972 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 12.902 -46.921 16.528 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.106 -46.074 16.178 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 6.404 -43.754 12.193 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.643 -44.502 11.645 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 6.135 -44.142 13.025 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 5.341 -44.184 14.649 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 5.488 -44.704 15.439 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 5.338 -43.277 14.955 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 1.794 -46.931 15.159 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 1.108 -46.579 15.726 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 2.317 -46.168 14.913 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 12.952 -50.245 21.486 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 12.155 -50.660 21.157 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 13.397 -50.936 21.977 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 2.410 -44.317 14.056 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 3.002 -43.618 14.332 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 2.869 -44.750 13.337 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 13.046 -42.074 12.565 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.329 -42.868 13.018 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 13.786 -41.841 12.004 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -0.340 -46.508 30.290 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -0.196 -47.410 30.004 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -1.113 -46.222 29.802 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 4.001 -46.164 12.422 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 4.065 -46.958 12.953 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 4.654 -46.283 11.733 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 9.353 -45.117 12.158 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 9.085 -44.937 13.059 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 9.147 -46.043 12.027 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 0.492 -49.308 29.710 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 0.900 -50.165 29.589 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 0.232 -49.293 30.631 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.459 -47.828 30.362 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 10.412 -47.744 30.334 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.299 -48.539 30.981 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 15.611 -47.594 12.436 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 15.338 -48.019 11.623 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 15.651 -46.663 12.219 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 6.773 -49.135 25.899 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 7.524 -49.291 25.326 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 6.434 -48.283 25.623 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 11.189 -51.320 30.927 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 11.381 -52.251 30.816 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 12.046 -50.895 30.917 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 12.505 -48.531 29.005 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 12.224 -47.822 28.427 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 13.448 -48.604 28.854 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -0.313 -44.622 13.475 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 0.601 -44.543 13.748 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -0.306 -45.309 12.808 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 14.769 -44.982 30.897 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 13.903 -45.087 31.291 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 15.145 -44.223 31.344 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 16.070 -46.725 16.411 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 16.920 -46.304 16.539 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 16.075 -47.465 17.019 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 16.464 -48.672 18.235 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 15.738 -49.151 18.633 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 17.045 -48.466 18.967 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 16.732 -48.771 14.626 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 16.211 -48.414 13.907 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 16.699 -48.096 15.304 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 14.251 -50.151 18.798 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 14.101 -51.096 18.778 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 13.897 -49.870 19.642 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 15.107 -48.181 28.437 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 15.690 -48.915 28.628 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 15.671 -47.409 28.483 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 16.604 -50.278 29.121 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 15.741 -50.657 28.956 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 17.208 -51.017 29.047 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 14.573 -51.987 22.696 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 15.506 -51.775 22.662 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 14.338 -51.885 23.619 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 14.602 -51.250 25.472 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 13.759 -50.982 25.838 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 15.045 -50.428 25.261 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -1.591 -51.491 22.909 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -1.099 -51.712 22.119 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -1.229 -50.650 23.190 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.241 -47.832 37.953 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 10.330 -46.888 37.821 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 9.602 -48.107 37.295 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 9.174 -48.577 41.372 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 9.136 -49.223 42.077 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 8.851 -49.043 40.601 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 12.880 -45.638 39.674 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 12.439 -46.358 40.124 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 12.867 -44.917 40.304 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 2.466 -44.512 41.500 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 2.096 -45.314 41.131 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.407 -44.681 41.547 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 7.563 -46.144 41.778 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 7.867 -46.830 41.184 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 8.285 -46.026 42.396 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 -0.233 -45.420 35.309 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.505 -45.191 34.420 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -0.188 -44.582 35.769 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 13.392 -43.798 42.022 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 12.450 -43.740 42.183 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 13.668 -42.892 41.885 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 8.962 -48.588 35.405 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 8.250 -48.053 35.054 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 9.653 -48.532 34.745 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 9.016 -50.130 32.444 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 9.717 -50.108 33.095 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 9.318 -50.758 31.788 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 12.368 -48.378 36.357 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 11.636 -48.150 36.930 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 12.815 -49.092 36.812 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 4.013 -47.748 38.240 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 3.683 -48.118 37.421 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 4.601 -48.418 38.586 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 5.380 -44.320 40.921 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 5.285 -44.898 40.164 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 6.109 -44.691 41.417 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 10.689 -43.476 42.607 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 10.448 -42.814 43.255 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 10.491 -44.310 43.032 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 11.239 -49.216 34.042 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 11.818 -49.066 34.789 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 11.653 -48.745 33.319 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 3.003 -48.678 35.829 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 2.711 -47.910 35.338 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 2.329 -49.338 35.666 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 -1.153 -43.535 41.528 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 -0.207 -43.679 41.509 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 -1.266 -42.751 42.065 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 17.044 -42.869 47.210 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 16.995 -43.824 47.173 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 16.218 -42.601 47.612 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 8.023 -43.295 46.086 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 8.110 -42.469 46.561 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 7.159 -43.625 46.335 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.716 -48.183 31.672 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 12.758 -48.406 30.742 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 13.565 -47.785 31.862 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 9.588 -50.919 36.507 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 9.179 -50.104 36.215 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 10.308 -51.059 35.892 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 3.789 -51.084 32.826 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 3.247 -51.464 32.135 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 4.623 -50.890 32.397 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.326 -39.001 48.317 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 14.526 -38.577 47.482 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 14.982 -38.658 48.924 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 14.274 -47.386 43.548 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 14.916 -46.929 43.005 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 13.444 -47.273 43.086 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 11.740 -51.838 34.622 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 12.632 -51.975 34.941 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 11.797 -51.047 34.085 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 2.249 -47.224 40.531 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 2.994 -47.226 39.930 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 2.327 -48.048 41.013 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 10.894 -43.873 45.949 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 9.993 -43.690 45.681 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 10.928 -43.614 46.870 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 12.081 -48.034 41.803 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 11.153 -48.266 41.776 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 12.532 -48.811 41.473 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 4.624 -43.706 37.936 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 5.151 -42.933 37.735 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 3.744 -43.481 37.634 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 0.379 -48.844 32.523 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 0.995 -48.217 32.902 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 -0.483 -48.528 32.794 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 6.051 -46.043 37.512 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 5.810 -45.118 37.554 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 5.311 -46.502 37.908 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 6.566 -41.894 43.827 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 6.929 -41.039 43.594 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 7.098 -42.186 44.568 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.735 -41.021 37.057 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 3.785 -40.916 37.109 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.086 -40.201 37.402 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 10.110 -45.795 43.528 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 9.684 -46.022 44.354 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 10.691 -46.533 43.345 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 12.769 -41.243 45.997 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 12.167 -41.798 45.502 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 13.050 -40.576 45.371 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.542 -42.205 43.839 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 0.759 -43.137 43.808 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.789 -41.931 44.723 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 1.794 -46.931 34.015 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 1.108 -46.579 34.582 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 2.317 -46.168 33.769 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 0.464 -42.931 36.862 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 -0.368 -42.458 36.889 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 1.010 -42.421 36.263 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 -0.247 -40.318 48.192 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 0.293 -40.535 48.951 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 -0.728 -41.124 48.002 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 5.150 -48.192 33.584 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 4.691 -48.676 34.270 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 5.405 -48.860 32.948 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 6.221 -49.949 31.847 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 6.041 -50.103 30.919 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 7.172 -49.841 31.891 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 15.611 -47.594 31.292 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 15.338 -48.019 30.479 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 15.651 -46.663 31.075 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 16.318 -40.772 45.115 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 15.831 -41.507 44.744 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 16.867 -41.165 45.793 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 16.070 -46.725 35.267 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 16.920 -46.304 35.395 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 16.075 -47.465 35.875 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 16.464 -48.672 37.091 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 15.738 -49.151 37.489 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 17.045 -48.466 37.823 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 16.223 -45.887 42.039 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 17.057 -46.265 41.758 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 16.335 -44.944 41.920 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 14.710 -43.009 44.346 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 14.062 -42.684 44.971 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 14.192 -43.449 43.671 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 16.732 -48.771 33.482 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 16.211 -48.414 32.763 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 16.699 -48.096 34.160 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 14.251 -50.151 37.654 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 14.101 -51.096 37.634 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 13.897 -49.870 38.498 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 3.832 -42.345 44.567 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 3.407 -41.536 44.284 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 4.737 -42.260 44.265 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 8.143 -40.946 47.526 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 8.328 -41.280 48.404 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.990 -40.637 47.204 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 10.488 -39.661 46.770 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 11.165 -40.293 46.530 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.810 -39.259 47.578 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 1.234 -39.089 44.614 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 0.514 -38.649 44.163 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 0.868 -39.340 45.463 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 3.701 -39.489 43.644 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 2.836 -39.417 44.048 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 3.646 -38.942 42.860 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 5.327 -41.286 41.028 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 5.540 -42.174 40.741 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 5.392 -41.320 41.983 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 -0.100 -41.242 34.696 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 -0.785 -41.280 34.028 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 -0.097 -40.329 34.984 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 9.174 -29.721 3.660 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 9.136 -30.367 4.365 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 8.851 -30.187 2.889 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 1.542 -30.106 5.253 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 1.584 -30.732 5.977 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 2.245 -29.483 5.435 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 12.880 -26.782 1.962 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 12.439 -27.502 2.412 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 12.867 -26.061 2.592 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 2.466 -25.656 3.788 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 2.096 -26.458 3.419 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 3.407 -25.825 3.835 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 9.991 -21.677 2.174 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 10.611 -22.354 1.901 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 9.783 -21.895 3.082 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 7.563 -27.288 4.066 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 7.867 -27.974 3.472 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 8.285 -27.170 4.684 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 16.618 -34.209 7.163 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 15.929 -33.551 7.068 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 16.633 -34.406 8.100 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 5.238 -28.199 6.028 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 4.498 -27.601 6.131 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 5.952 -27.645 5.712 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 3.646 -26.235 6.815 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 3.640 -25.356 6.437 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 2.792 -26.318 7.240 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 13.392 -24.942 4.310 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 12.450 -24.884 4.471 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 13.668 -24.036 4.173 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 11.644 -23.161 0.935 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 12.069 -23.868 0.450 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 11.961 -22.360 0.518 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 16.331 -30.354 5.987 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 15.679 -29.659 6.076 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 16.796 -30.144 5.177 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 12.265 -31.348 7.713 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.345 -30.585 8.285 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.664 -31.069 7.022 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 5.380 -25.464 3.209 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 5.285 -26.042 2.452 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 6.109 -25.835 3.705 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 4.380 -30.123 4.161 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 4.945 -30.002 3.398 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 4.699 -29.486 4.800 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 10.689 -24.620 4.895 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 10.448 -23.958 5.543 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 10.491 -25.454 5.320 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 3.499 -23.652 9.642 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 3.507 -23.788 8.694 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 2.583 -23.770 9.894 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 -0.904 -27.459 6.932 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 -1.405 -27.487 6.117 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 -0.898 -28.365 7.242 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.196 -32.520 9.978 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 13.789 -32.039 9.258 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.237 -33.425 9.671 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 1.345 -26.136 7.975 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 1.562 -26.497 8.835 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 0.490 -26.510 7.765 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 8.627 -37.944 7.345 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 9.047 -38.359 8.098 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.694 -38.122 7.462 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 11.953 -34.188 8.199 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 11.439 -34.314 8.996 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 11.798 -33.276 7.954 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 4.055 -32.700 5.066 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 3.413 -32.741 5.775 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 4.092 -31.774 4.828 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 8.690 -31.888 10.283 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 8.127 -32.592 10.603 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 9.516 -32.008 10.750 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 1.805 -32.380 6.933 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 1.767 -31.980 7.801 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 1.314 -33.197 7.023 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 9.856 -30.979 6.280 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 10.180 -31.610 5.637 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 9.416 -31.514 6.941 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 14.274 -28.530 5.836 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 14.916 -28.073 5.293 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 13.444 -28.417 5.374 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 12.081 -29.178 4.091 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.153 -29.410 4.064 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.532 -29.955 3.761 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 10.110 -26.939 5.816 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 9.684 -27.166 6.642 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.691 -27.677 5.633 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 0.891 -35.154 7.692 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 -0.002 -34.815 7.625 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 0.792 -36.009 8.110 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 0.542 -23.349 6.127 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 0.759 -24.281 6.096 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 0.789 -23.075 7.011 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 8.146 -33.047 7.699 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.265 -32.473 8.456 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 8.801 -33.735 7.814 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 14.350 -35.140 8.534 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 13.434 -34.877 8.446 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 14.686 -35.143 7.637 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 -0.247 -21.462 10.480 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 0.293 -21.679 11.239 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 -0.728 -22.268 10.290 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 4.439 -31.443 8.228 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 3.821 -30.768 8.509 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 4.783 -31.122 7.395 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 4.779 -34.088 9.311 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 4.929 -34.817 8.708 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 4.781 -33.311 8.752 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 5.191 -35.718 6.803 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 5.727 -35.267 6.151 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 4.339 -35.826 6.381 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 6.773 -30.279 7.043 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 7.524 -30.435 6.470 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 6.434 -29.427 6.767 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 11.189 -32.464 12.071 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 11.381 -33.395 11.960 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 12.046 -32.039 12.061 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 5.997 -38.262 7.235 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 5.899 -37.315 7.129 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 5.254 -38.634 6.759 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 7.261 -33.940 10.798 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 7.025 -34.160 11.700 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 6.478 -34.147 10.289 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 9.977 -34.813 9.874 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 9.029 -34.781 10.006 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 10.289 -35.438 10.528 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 11.611 -36.179 11.879 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 11.514 -37.131 11.873 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 11.289 -35.910 12.740 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 1.438 -34.969 10.927 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 1.649 -35.676 10.316 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 1.326 -35.407 11.771 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 16.223 -27.031 4.327 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 17.057 -27.409 4.046 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 16.335 -26.088 4.208 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 -0.714 -29.217 3.952 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 -0.530 -29.299 3.017 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 0.135 -29.341 4.376 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 15.107 -29.325 9.581 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 15.690 -30.059 9.772 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 15.671 -28.553 9.627 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 16.604 -31.422 10.265 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.741 -31.801 10.100 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 17.208 -32.161 10.191 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.602 -32.394 6.616 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 13.759 -32.126 6.982 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 15.045 -31.572 6.405 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 -1.116 -33.946 10.093 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 -0.197 -34.068 10.329 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 -1.566 -34.696 10.482 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 -1.591 -32.635 4.053 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -1.099 -32.856 3.263 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 -1.229 -31.794 4.334 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 16.405 -36.305 10.319 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 15.488 -36.034 10.283 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 16.528 -36.840 9.535 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 13.493 -21.393 0.053 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 14.146 -21.740 -0.555 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 14.004 -20.904 0.699 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 0.878 -24.464 10.596 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 0.057 -24.289 10.136 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 0.626 -24.537 11.517 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 15.406 -38.215 8.138 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 14.593 -37.890 7.750 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 15.639 -38.975 7.605 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 1.234 -20.233 6.902 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 0.514 -19.793 6.451 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 0.868 -20.484 7.751 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 3.701 -20.633 5.932 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 2.836 -20.561 6.336 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 3.646 -20.086 5.148 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 0.649 -21.610 3.813 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.630 -22.035 4.670 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 1.454 -21.928 3.404 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 2.790 -22.900 2.468 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 2.571 -23.816 2.637 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 3.614 -22.760 2.934 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 5.327 -22.430 3.316 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 5.540 -23.318 3.029 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 5.392 -22.464 4.271 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 15.473 -21.613 -1.939 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 15.279 -22.361 -2.504 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 15.434 -20.855 -2.523 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 1.120 -37.618 9.800 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 0.754 -38.383 10.243 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.033 -37.589 10.087 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 11.515 -38.935 11.518 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 11.591 -39.361 12.372 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 12.408 -38.921 11.176 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 -1.664 -20.373 18.552 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 -2.311 -20.835 18.019 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 -1.309 -21.045 19.135 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 -0.001 -38.334 14.942 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 0.438 -37.723 14.351 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 -0.635 -37.796 15.416 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 1.718 -21.466 12.865 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 1.450 -21.179 13.738 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 2.489 -22.012 13.017 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 1.542 -30.106 42.965 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 1.584 -30.732 43.689 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 2.245 -29.483 43.147 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 2.466 -25.656 41.500 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 2.096 -26.458 41.131 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 3.407 -25.825 41.547 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 9.991 -21.677 39.886 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 10.611 -22.354 39.613 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 9.783 -21.895 40.794 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 5.238 -28.199 43.740 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 4.498 -27.601 43.843 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 5.952 -27.645 43.424 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 3.646 -26.235 44.527 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 3.640 -25.356 44.149 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 2.792 -26.318 44.952 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 13.392 -24.942 42.022 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 12.450 -24.884 42.183 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 13.668 -24.036 41.885 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 5.380 -25.464 40.921 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 5.285 -26.042 40.164 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 6.109 -25.835 41.417 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 4.380 -30.123 41.873 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 4.945 -30.002 41.110 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 4.699 -29.486 42.512 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 10.689 -24.620 42.607 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 10.448 -23.958 43.255 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.491 -25.454 43.032 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 5.260 -25.724 46.590 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 4.948 -24.942 47.046 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 4.610 -25.877 45.904 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 2.180 -29.526 45.819 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 2.250 -28.875 46.517 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.289 -29.423 45.484 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 -1.153 -24.679 41.528 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 -0.207 -24.823 41.509 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 -1.266 -23.895 42.065 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 17.044 -24.013 47.210 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 16.995 -24.968 47.173 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 16.218 -23.745 47.612 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 8.023 -24.439 46.086 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 8.110 -23.613 46.561 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 7.159 -24.769 46.335 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 2.091 -21.878 37.673 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 2.243 -22.226 38.552 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 1.240 -22.234 37.418 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 11.953 -34.188 45.911 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 11.439 -34.314 46.708 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 11.798 -33.276 45.666 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 8.690 -31.888 47.995 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 8.127 -32.592 48.315 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 9.516 -32.008 48.462 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 1.805 -32.380 44.645 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 1.767 -31.980 45.513 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 1.314 -33.197 44.735 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.644 -27.479 45.999 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.298 -27.860 46.805 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 8.444 -26.545 46.070 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 2.249 -28.368 40.531 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 2.994 -28.370 39.930 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 2.327 -29.192 41.013 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 -0.743 -29.907 45.846 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 -0.520 -30.325 46.678 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 -1.345 -30.520 45.424 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 6.274 -30.390 48.059 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 5.978 -30.556 47.164 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 7.205 -30.610 48.049 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 10.894 -25.017 45.949 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 9.993 -24.834 45.681 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 10.928 -24.758 46.870 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 14.921 -23.986 34.781 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 14.548 -24.812 35.091 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.198 -24.169 33.884 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 4.624 -24.850 37.936 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 5.151 -24.077 37.735 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 3.744 -24.625 37.634 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.566 -23.038 43.827 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.929 -22.183 43.594 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 7.098 -23.330 44.568 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 4.735 -22.165 37.057 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.785 -22.060 37.109 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 5.086 -21.345 37.402 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 12.769 -22.387 45.997 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 12.167 -22.942 45.502 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 13.050 -21.720 45.371 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 0.891 -35.154 45.404 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 -0.002 -34.815 45.337 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 0.792 -36.009 45.822 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.039 -22.133 41.964 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 13.883 -21.455 41.307 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 14.971 -22.061 42.167 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 10.927 -24.163 48.541 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 10.576 -25.019 48.784 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 11.653 -24.020 49.148 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 6.315 -27.682 48.579 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 5.987 -27.411 47.721 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 6.467 -28.623 48.491 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 9.459 -28.972 49.218 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 10.412 -28.888 49.190 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 9.299 -29.683 49.837 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 11.189 -32.464 49.783 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 11.381 -33.395 49.672 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 12.046 -32.039 49.773 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 3.257 -32.890 48.934 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.490 -33.422 48.724 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.936 -33.200 48.335 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 7.261 -33.940 48.510 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 7.025 -34.160 49.412 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 6.478 -34.147 48.001 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 9.977 -34.813 47.586 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 9.029 -34.781 47.718 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 10.289 -35.438 48.240 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.611 -36.179 49.591 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.514 -37.131 49.585 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 11.289 -35.910 50.452 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.438 -34.969 48.639 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 1.649 -35.676 48.028 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 1.326 -35.407 49.483 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 6.219 -38.968 47.618 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 6.931 -39.608 47.604 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 6.118 -38.701 46.704 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 6.572 -37.285 49.672 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 6.441 -37.761 48.851 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 5.973 -36.541 49.616 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 -1.664 -20.373 37.408 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 -2.311 -20.835 36.875 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 -1.309 -21.045 37.991 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 -0.794 -22.292 39.213 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 -1.128 -23.173 39.385 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 -0.572 -21.947 40.077 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 16.755 -21.483 42.193 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 16.733 -21.298 43.132 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 17.445 -20.914 41.852 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 16.318 -21.916 45.115 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 15.831 -22.651 44.744 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 16.867 -22.309 45.793 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 14.769 -26.126 49.753 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 13.903 -26.231 50.147 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 15.145 -25.367 50.200 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 14.710 -24.153 44.346 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 14.062 -23.828 44.971 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 14.192 -24.593 43.671 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 -0.714 -29.217 41.664 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 -0.530 -29.299 40.729 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 0.135 -29.341 42.088 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 -1.116 -33.946 47.805 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 -0.197 -34.068 48.041 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 -1.566 -34.696 48.194 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 16.885 -38.414 49.682 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 17.235 -39.068 49.076 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 17.032 -37.577 49.242 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.405 -36.305 48.031 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 15.488 -36.034 47.995 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 16.528 -36.840 47.247 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 13.493 -21.393 37.765 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 14.146 -21.740 37.157 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 14.004 -20.904 38.411 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 10.488 -20.805 46.770 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 11.165 -21.437 46.530 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 10.810 -20.403 47.578 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 15.406 -38.215 45.850 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 14.593 -37.890 45.462 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 15.639 -38.975 45.317 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 8.412 -20.745 42.820 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 7.955 -20.216 42.166 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 8.575 -20.142 43.545 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 10.739 -21.867 43.765 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 9.835 -21.702 43.499 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 11.168 -21.014 43.699 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 13.344 -20.297 44.060 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 13.162 -19.381 43.849 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 13.520 -20.707 43.213 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 2.790 -22.900 40.180 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 2.571 -23.816 40.349 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 3.614 -22.760 40.646 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 5.327 -22.430 41.028 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 5.540 -23.318 40.741 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 5.392 -22.464 41.983 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 15.473 -21.613 35.773 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 15.279 -22.361 35.208 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 15.434 -20.855 35.189 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 1.120 -37.618 47.512 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 0.754 -38.383 47.955 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 2.033 -37.589 47.799 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 3.093 -38.267 49.048 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 3.992 -38.541 48.863 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 2.707 -39.010 49.512 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 11.515 -38.935 49.230 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 11.591 -39.361 50.084 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 12.408 -38.921 48.888 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 14.691 -22.862 47.923 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 13.909 -23.048 47.403 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 14.619 -21.933 48.140 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.016 -31.274 51.300 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 9.717 -31.252 51.951 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 9.318 -31.902 50.644 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 11.239 -30.360 52.898 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 11.818 -30.210 53.645 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 11.653 -29.889 52.175 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.127 -24.244 51.088 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.200 -23.305 51.258 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.032 -24.549 51.031 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 12.716 -29.327 50.528 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 12.758 -29.550 49.598 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 13.565 -28.929 50.718 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 8.289 -35.451 51.198 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.035 -35.432 52.121 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 8.032 -36.323 50.897 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 5.171 -35.006 50.299 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 4.740 -35.451 51.029 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 4.453 -34.634 49.787 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 16.625 -32.772 53.172 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 16.071 -33.168 52.500 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 16.726 -31.862 52.895 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 12.313 -26.010 51.458 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 12.666 -26.390 52.262 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.364 -26.103 51.544 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 13.046 -23.218 50.277 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 13.329 -24.012 50.730 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 13.786 -22.985 49.716 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 9.353 -26.261 49.870 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 9.085 -26.081 50.771 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 9.147 -27.187 49.739 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 6.221 -31.093 50.703 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 6.041 -31.247 49.775 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 7.172 -30.985 50.747 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 16.070 -27.869 54.123 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 16.920 -27.448 54.251 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 16.075 -28.609 54.731 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 16.732 -29.915 52.338 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 16.211 -29.558 51.619 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 16.699 -29.240 53.016 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 15.081 -32.675 50.889 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 15.178 -32.008 50.209 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 14.941 -33.491 50.407 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 14.329 -35.267 50.006 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 14.939 -35.639 50.643 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 13.492 -35.689 50.202 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 16.441 -36.382 51.549 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 16.854 -37.103 51.073 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 17.123 -35.712 51.607 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 9.174 -10.865 3.660 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 9.136 -11.511 4.365 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 8.851 -11.331 2.889 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 12.880 -7.926 1.962 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.439 -8.646 2.412 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.867 -7.205 2.592 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 7.563 -8.432 4.066 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 7.867 -9.118 3.472 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 8.285 -8.314 4.684 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.581 -15.806 0.067 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.227 -16.135 0.692 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.091 -15.288 -0.556 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 2.669 -17.019 5.740 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 2.450 -16.489 4.974 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 2.001 -16.792 6.388 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 10.038 -7.519 -0.716 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 9.742 -7.841 -1.567 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 9.714 -6.619 -0.674 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 13.345 -16.515 2.048 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 13.130 -17.281 2.580 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.001 -16.043 2.561 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 6.695 -19.713 3.193 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 6.578 -20.662 3.139 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 5.840 -19.381 3.466 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 11.644 -4.305 0.935 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 12.069 -5.012 0.450 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 11.961 -3.504 0.518 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 12.803 -6.404 -0.556 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 12.546 -7.094 -1.168 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 12.874 -6.847 0.289 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 5.260 -6.868 8.878 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 4.948 -6.086 9.334 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 4.610 -7.021 8.192 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 8.965 -4.767 -0.235 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 9.439 -4.472 0.543 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 8.402 -4.029 -0.468 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 8.023 -5.583 8.374 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 8.110 -4.757 8.849 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 7.159 -5.913 8.623 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 8.437 -1.811 -1.820 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 8.362 -1.932 -2.766 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 8.470 -0.861 -1.701 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 11.208 -2.731 -2.068 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 10.273 -2.631 -1.889 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 11.488 -3.440 -1.490 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 3.964 -18.810 3.971 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 3.103 -18.897 3.563 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 3.942 -17.954 4.398 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 10.592 -13.761 1.609 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 10.397 -13.156 0.894 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 10.774 -14.595 1.174 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 7.954 -13.408 2.951 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 8.518 -13.955 2.404 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 7.806 -13.930 3.740 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 6.580 -15.020 5.365 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 5.745 -14.566 5.475 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 7.104 -14.744 6.117 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 8.644 -8.623 8.287 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 8.298 -9.004 9.093 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 8.444 -7.689 8.358 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 6.274 -11.534 10.347 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 5.978 -11.700 9.452 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 7.205 -11.754 10.337 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 10.894 -6.161 8.237 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 9.993 -5.978 7.969 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 10.928 -5.902 9.158 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 12.081 -10.322 4.091 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.153 -10.554 4.064 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 12.532 -11.099 3.761 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.566 -4.182 6.115 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 6.929 -3.327 5.882 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 7.098 -4.474 6.856 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 10.110 -8.083 5.816 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 9.684 -8.310 6.642 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 10.691 -8.821 5.633 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 12.952 -12.533 2.630 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 12.155 -12.948 2.301 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 13.397 -13.224 3.121 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.315 -8.826 10.867 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.987 -8.555 10.009 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.467 -9.767 10.779 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 4.439 -12.587 8.228 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 3.821 -11.912 8.509 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 4.783 -12.266 7.395 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 4.779 -15.232 9.311 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 4.929 -15.961 8.708 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 4.781 -14.455 8.752 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 5.191 -16.862 6.803 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 5.727 -16.411 6.151 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 4.339 -16.970 6.381 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 6.773 -11.423 7.043 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 7.524 -11.579 6.470 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.434 -10.571 6.767 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 3.257 -14.034 11.222 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 2.490 -14.566 11.012 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.936 -14.344 10.623 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 6.572 -18.429 11.960 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 6.441 -18.905 11.139 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 5.973 -17.685 11.904 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 16.464 -10.960 -0.621 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.738 -11.439 -0.223 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 17.045 -10.754 0.111 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.251 -12.439 -0.058 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 14.101 -13.384 -0.078 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 13.897 -12.158 0.786 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 14.573 -14.275 3.840 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 15.506 -14.063 3.806 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 14.338 -14.173 4.763 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 14.575 -17.593 -1.547 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 14.757 -18.042 -0.722 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 13.975 -18.178 -2.011 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 13.493 -2.537 0.053 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 14.146 -2.884 -0.555 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 14.004 -2.048 0.699 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 8.143 -3.234 9.814 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 8.328 -3.568 10.692 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 8.990 -2.925 9.492 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 8.412 -1.889 5.108 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 7.955 -1.360 4.454 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 8.575 -1.286 5.833 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 5.327 -3.574 3.316 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 5.540 -4.462 3.029 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 5.392 -3.608 4.271 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 8.836 -17.910 2.461 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.161 -18.539 2.716 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.400 -18.394 1.858 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 15.705 -18.664 0.907 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.317 -19.178 0.380 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 16.088 -17.786 0.930 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 11.299 -19.319 1.745 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 11.375 -19.224 0.796 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 11.023 -20.227 1.874 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 15.473 -2.757 -1.939 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 15.279 -3.505 -2.504 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 15.434 -1.999 -2.523 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 1.120 -18.762 9.800 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 0.754 -19.527 10.243 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 2.033 -18.733 10.087 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 3.093 -19.411 11.336 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 3.992 -19.685 11.151 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 2.707 -20.154 11.800 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 10.241 -10.120 19.097 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 10.330 -9.176 18.965 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 9.602 -10.395 18.439 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 9.174 -10.865 22.516 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.136 -11.511 23.221 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 8.851 -11.331 21.745 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 1.542 -11.250 24.109 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 1.584 -11.876 24.833 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 2.245 -10.627 24.291 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 12.880 -7.926 20.818 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 12.439 -8.646 21.268 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 12.867 -7.205 21.448 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 -0.924 -13.140 18.037 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 -1.372 -12.294 18.019 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 -1.485 -13.720 17.522 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 -0.214 -10.978 20.163 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 0.000 -11.748 20.690 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 0.524 -10.889 19.560 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 7.563 -8.432 22.922 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 7.867 -9.118 22.328 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 8.285 -8.314 23.540 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 5.635 -11.990 20.500 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 6.251 -12.516 21.009 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 5.049 -12.630 20.096 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.038 -7.519 18.140 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.742 -7.841 17.289 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.714 -6.619 18.182 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 5.238 -9.343 24.884 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 4.498 -8.745 24.987 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 5.952 -8.789 24.568 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 13.392 -6.086 23.166 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 12.450 -6.028 23.327 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 13.668 -5.180 23.029 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 12.803 -6.404 18.300 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 12.546 -7.094 17.688 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 12.874 -6.847 19.145 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 14.489 -7.838 26.777 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.629 -8.429 26.038 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 14.657 -6.965 26.421 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 8.962 -10.876 16.549 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 8.250 -10.341 16.198 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 9.653 -10.820 15.889 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 9.016 -12.418 13.588 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 9.717 -12.396 14.239 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 9.318 -13.046 12.932 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 12.368 -10.666 17.501 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.636 -10.438 18.074 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 12.815 -11.380 17.956 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 4.013 -10.036 19.384 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 3.683 -10.406 18.565 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 4.601 -10.706 19.730 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 4.380 -11.267 23.017 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.945 -11.146 22.254 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 4.699 -10.630 23.656 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 11.239 -11.504 15.186 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 11.818 -11.354 15.933 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 11.653 -11.033 14.463 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 2.180 -10.670 26.963 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 2.250 -10.019 27.661 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 1.289 -10.567 26.628 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 3.003 -10.966 16.973 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 2.711 -10.198 16.482 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.329 -11.626 16.810 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 17.044 -5.157 28.354 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 16.995 -6.112 28.317 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 16.218 -4.889 28.756 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 11.539 -2.657 14.039 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 11.914 -3.401 13.568 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 11.543 -2.927 14.957 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 11.208 -2.731 16.788 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 10.273 -2.631 16.967 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 11.488 -3.440 17.366 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 8.289 -16.595 13.486 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 8.035 -16.576 14.409 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 8.032 -17.467 13.185 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 4.052 -13.623 18.834 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 3.159 -13.964 18.775 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 4.503 -14.000 18.078 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 9.588 -13.207 17.651 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 9.179 -12.392 17.359 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 10.308 -13.347 17.036 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 8.690 -13.032 29.139 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 8.127 -13.736 29.459 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 9.516 -13.152 29.606 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 10.592 -13.761 20.465 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 10.397 -13.156 19.750 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 10.774 -14.595 20.030 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 5.171 -16.150 12.587 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 4.740 -16.595 13.317 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 4.453 -15.778 12.075 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 -1.587 -16.408 19.639 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 -0.956 -16.437 20.359 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 -1.137 -16.833 18.909 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 1.462 -14.567 18.747 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 0.573 -14.467 18.407 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 1.758 -15.409 18.401 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 5.115 -14.567 16.403 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 6.047 -14.438 16.581 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 4.900 -13.897 15.754 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 3.789 -13.372 13.970 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 3.247 -13.752 13.279 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 4.623 -13.178 13.541 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 2.956 -17.272 18.225 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 2.639 -18.174 18.190 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 3.737 -17.270 17.673 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 7.124 -8.807 15.906 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 6.380 -9.314 15.583 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 6.990 -8.758 16.852 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 14.274 -9.674 24.692 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 14.916 -9.217 24.149 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 13.444 -9.561 24.230 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 11.022 -15.993 14.105 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 10.084 -15.881 13.954 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 11.319 -15.136 14.411 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 8.644 -8.623 27.143 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 8.298 -9.004 27.949 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 8.444 -7.689 27.214 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 11.740 -14.126 15.766 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.632 -14.263 16.085 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 11.797 -13.335 15.229 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.249 -9.512 21.675 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.994 -9.514 21.074 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.327 -10.336 22.157 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 9.250 -7.348 14.931 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 8.955 -6.522 15.313 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 8.547 -7.968 15.127 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 -0.743 -11.051 26.990 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 -0.520 -11.469 27.822 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 -1.345 -11.664 26.568 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 6.274 -11.534 29.203 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 5.978 -11.700 28.308 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 7.205 -11.754 29.193 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 16.589 -8.116 28.297 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.737 -7.878 27.930 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 17.179 -8.133 27.544 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 14.921 -5.130 15.925 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 14.548 -5.956 16.235 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 15.198 -5.313 15.028 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 12.081 -10.322 22.947 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 11.153 -10.554 22.920 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 12.532 -11.099 22.617 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 10.110 -8.083 24.672 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 9.684 -8.310 25.498 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 10.691 -8.821 24.489 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 13.179 -8.481 15.972 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 12.902 -9.209 16.528 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 14.106 -8.362 16.178 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 6.404 -6.042 12.193 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 6.643 -6.790 11.645 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 6.135 -6.430 13.025 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 5.341 -6.472 14.649 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.488 -6.992 15.439 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 5.338 -5.565 14.955 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 8.079 -4.774 15.398 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 7.262 -4.277 15.451 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 8.608 -4.299 14.758 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 4.151 -17.033 14.996 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 4.068 -16.144 15.342 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.041 -17.298 15.227 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 12.952 -12.533 21.486 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 12.155 -12.948 21.157 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 13.397 -13.224 21.977 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 8.442 -4.179 12.331 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 7.798 -4.810 12.653 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 9.204 -4.710 12.099 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 12.050 -8.910 27.106 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 12.795 -8.322 26.986 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 11.293 -8.328 27.169 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 0.492 -11.596 29.710 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 0.900 -12.453 29.589 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 0.232 -11.581 30.631 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 4.439 -12.587 27.084 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 3.821 -11.912 27.365 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 4.783 -12.266 26.251 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 6.221 -12.237 12.991 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 6.041 -12.391 12.063 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 7.172 -12.129 13.035 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 9.459 -10.116 30.362 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 10.412 -10.032 30.334 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 9.299 -10.827 30.981 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 6.773 -11.423 25.899 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 7.524 -11.579 25.326 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 6.434 -10.571 25.623 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 11.189 -13.608 30.927 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 11.381 -14.539 30.816 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 12.046 -13.183 30.917 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 12.505 -10.819 29.005 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 12.224 -10.110 28.427 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 13.448 -10.892 28.854 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 3.257 -14.034 30.078 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 2.490 -14.566 29.868 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 3.936 -14.344 29.479 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 7.261 -15.084 29.654 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 7.025 -15.304 30.556 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 6.478 -15.291 29.145 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 1.438 -16.113 29.783 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.649 -16.820 29.172 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 1.326 -16.551 30.627 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.119 -1.546 13.992 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 7.052 -1.388 14.136 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.855 -0.871 13.367 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 14.769 -7.270 30.897 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 13.903 -7.375 31.291 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 15.145 -6.511 31.344 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 14.710 -5.297 25.490 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 14.062 -4.972 26.115 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 14.192 -5.737 24.815 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 14.251 -12.439 18.798 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 14.101 -13.384 18.778 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 13.897 -12.158 19.642 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 -0.714 -10.361 22.808 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 -0.530 -10.443 21.873 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 0.135 -10.485 23.232 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 15.107 -10.469 28.437 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 15.690 -11.203 28.628 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 15.671 -9.697 28.483 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 13.961 -14.856 17.260 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 14.241 -15.763 17.385 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 14.720 -14.422 16.871 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 -1.116 -15.090 28.949 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 -0.197 -15.212 29.185 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 -1.566 -15.840 29.338 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 -1.591 -13.779 22.909 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 -1.099 -14.000 22.119 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 -1.229 -12.938 23.190 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 -1.278 -17.521 16.964 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 -2.203 -17.312 16.834 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 -0.824 -17.037 16.274 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 13.493 -2.537 18.909 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 14.146 -2.884 18.301 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.004 -2.048 19.555 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 -0.001 -19.478 14.942 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 0.438 -18.867 14.351 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 -0.635 -18.940 15.416 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 1.860 -17.562 13.385 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 2.351 -18.192 12.857 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 2.483 -17.266 14.048 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 8.764 -2.320 14.237 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 9.630 -1.954 14.059 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 8.517 -2.760 13.424 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 11.581 -15.806 37.779 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 12.227 -16.135 38.404 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 12.091 -15.288 37.156 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 6.695 -19.713 40.905 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 6.578 -20.662 40.851 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 5.840 -19.381 41.178 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 9.016 -12.418 32.444 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 9.717 -12.396 33.095 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 9.318 -13.046 31.788 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 11.239 -11.504 34.042 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 11.818 -11.354 34.789 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 11.653 -11.033 33.319 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 12.716 -10.471 31.672 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.758 -10.694 30.742 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.565 -10.073 31.862 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 8.289 -16.595 32.342 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 8.035 -16.576 33.265 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.032 -17.467 32.041 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 -0.312 -15.662 33.919 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 0.162 -15.071 33.334 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 -1.030 -15.131 34.266 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 5.115 -14.567 35.259 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 6.047 -14.438 35.437 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 4.900 -13.897 34.610 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 3.789 -13.372 32.826 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 3.247 -13.752 32.135 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 4.623 -13.178 32.397 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 2.956 -17.272 37.081 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 2.639 -18.174 37.046 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 3.737 -17.270 36.529 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 11.740 -14.126 34.622 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 12.632 -14.263 34.941 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 11.797 -13.335 34.085 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 16.625 -13.916 34.316 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 16.071 -14.312 33.644 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 16.726 -13.006 34.039 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 10.410 -16.905 35.391 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 10.630 -16.433 34.588 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 10.968 -16.510 36.062 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 7.610 -15.177 36.226 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 8.422 -14.673 36.272 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 7.365 -15.322 37.140 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 8.494 -18.096 37.164 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 8.147 -17.478 37.809 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 9.152 -17.595 36.683 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 4.151 -17.033 33.852 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 4.068 -16.144 34.198 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 5.041 -17.298 34.083 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 0.726 -13.941 32.028 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 0.681 -13.002 32.207 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 -0.162 -14.177 31.758 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.221 -12.237 31.847 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 6.041 -12.391 30.919 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 7.172 -12.129 31.891 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.611 -9.882 31.292 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 15.338 -10.307 30.479 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 15.651 -8.951 31.075 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 16.732 -11.059 33.482 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 16.211 -10.702 32.763 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 16.699 -10.384 34.160 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 15.081 -13.819 32.033 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 15.178 -13.152 31.353 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 14.941 -14.635 31.551 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 13.961 -14.856 36.116 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 14.241 -15.763 36.241 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 14.720 -14.422 35.727 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 14.575 -17.593 36.165 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 14.757 -18.042 36.990 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 13.975 -18.178 35.701 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 -1.278 -17.521 35.820 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 -2.203 -17.312 35.690 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 -0.824 -17.037 35.130 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 8.836 -17.910 40.173 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 8.161 -18.539 40.428 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 9.400 -18.394 39.570 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 13.978 -19.803 40.285 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.582 -19.255 39.784 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 13.109 -19.483 40.045 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 15.705 -18.664 38.619 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 16.317 -19.178 38.092 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 16.088 -17.786 38.642 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 1.162 -19.276 37.995 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 0.385 -19.510 37.487 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 1.693 -20.073 38.003 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 5.742 -19.349 37.808 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 6.616 -18.961 37.778 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 5.606 -19.564 38.731 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 11.299 -19.319 39.457 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 11.375 -19.224 38.508 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 11.023 -20.227 39.586 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 6.886 -17.269 34.698 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 7.064 -17.915 35.381 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 6.832 -16.435 35.165 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.226 2.025 4.927 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 16.275 2.635 5.663 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 16.652 2.486 4.204 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 10.704 4.818 4.394 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 10.847 3.871 4.414 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 10.598 5.025 3.465 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 11.581 3.050 0.067 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 12.227 2.721 0.692 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 12.091 3.568 -0.556 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 13.345 2.341 2.048 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 13.130 1.575 2.580 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 14.001 2.813 2.561 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 6.695 -0.857 3.193 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 6.578 -1.806 3.139 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 5.840 -0.525 3.466 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 14.489 11.018 7.921 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 14.629 10.427 7.182 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 14.657 11.891 7.565 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 16.331 7.358 5.987 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 15.679 8.053 6.076 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 16.796 7.568 5.177 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 12.265 6.364 7.713 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 12.345 7.127 8.285 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 11.664 6.643 7.022 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.196 5.192 9.978 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 13.789 5.673 9.258 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 14.237 4.287 9.671 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 8.627 -0.232 7.345 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 9.047 -0.647 8.098 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 7.694 -0.410 7.462 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 8.690 5.824 10.283 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 8.127 5.120 10.603 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 9.516 5.704 10.750 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 10.592 5.095 1.609 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 10.397 5.700 0.894 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 10.774 4.261 1.174 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 9.856 6.733 6.280 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 10.180 6.102 5.637 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 9.416 6.198 6.941 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 11.039 1.895 4.328 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 10.362 2.026 4.992 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 10.553 1.740 3.518 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.580 3.836 5.365 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 5.745 4.290 5.475 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 7.104 4.112 6.117 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 14.274 9.182 5.836 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 14.916 9.639 5.293 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 13.444 9.295 5.374 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 16.589 10.740 9.441 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 15.737 10.978 9.074 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 17.179 10.723 8.688 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 8.146 4.665 7.699 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 8.265 5.239 8.456 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 8.801 3.977 7.814 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 8.494 0.760 -0.548 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 8.147 1.378 0.097 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 9.152 1.261 -1.029 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 12.952 6.323 2.630 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 12.155 5.908 2.301 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 13.397 5.632 3.121 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 5.191 1.994 6.803 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 5.727 2.445 6.151 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 4.339 1.886 6.381 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 11.189 5.248 12.071 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 11.381 4.317 11.960 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.046 5.673 12.061 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.505 8.037 10.149 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 12.224 8.746 9.571 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 13.448 7.964 9.998 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 5.997 -0.550 7.235 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 5.899 0.397 7.129 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 5.254 -0.922 6.759 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 7.261 3.772 10.798 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 7.025 3.552 11.700 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 6.478 3.565 10.289 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 6.219 -1.256 9.906 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.931 -1.896 9.892 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 6.118 -0.989 8.992 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 6.572 0.427 11.960 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 6.441 -0.049 11.139 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 5.973 1.171 11.904 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 16.223 10.681 4.327 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 17.057 10.303 4.046 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 16.335 11.624 4.208 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 15.107 8.387 9.581 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 15.690 7.653 9.772 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 15.671 9.159 9.627 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 16.604 6.290 10.265 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 15.741 5.911 10.100 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 17.208 5.551 10.191 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 14.573 4.581 3.840 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 15.506 4.793 3.806 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 14.338 4.683 4.763 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 14.602 5.318 6.616 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 13.759 5.586 6.982 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 15.045 6.140 6.405 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 14.575 1.263 -1.547 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 14.757 0.814 -0.722 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 13.975 0.678 -2.011 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 8.836 0.946 2.461 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 8.161 0.317 2.716 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 9.400 0.462 1.858 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 15.705 0.192 0.907 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 16.317 -0.322 0.380 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.088 1.070 0.930 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 12.652 -0.437 -2.562 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 11.949 0.177 -2.772 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 12.207 -1.275 -2.431 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 9.016 6.438 13.588 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 9.717 6.460 14.239 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 9.318 5.810 12.932 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 12.716 8.385 12.816 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 12.758 8.162 11.886 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 13.565 8.783 13.006 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 8.289 2.261 13.486 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 8.035 2.280 14.409 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 8.032 1.389 13.185 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 5.171 2.706 12.587 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 4.740 2.261 13.317 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 4.453 3.078 12.075 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 11.022 2.863 14.105 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 10.084 2.975 13.954 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 11.319 3.720 14.411 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 11.740 4.730 15.766 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 12.632 4.593 16.085 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 11.797 5.521 15.229 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.625 4.940 15.460 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.071 4.544 14.788 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.726 5.850 15.183 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 10.410 1.951 16.535 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 10.630 2.423 15.732 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 10.968 2.346 17.206 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 15.611 8.974 12.436 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 15.338 8.549 11.623 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 15.651 9.905 12.219 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 16.732 7.797 14.626 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 16.211 8.154 13.907 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 16.699 8.472 15.304 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 15.081 5.037 13.177 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 15.178 5.704 12.497 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 14.941 4.221 12.695 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 13.961 4.000 17.260 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 14.241 3.093 17.385 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 14.720 4.434 16.871 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 14.575 1.263 17.309 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 14.757 0.814 18.134 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 13.975 0.678 16.845 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 13.978 -0.947 21.429 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 14.582 -0.399 20.928 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 13.109 -0.627 21.189 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 15.705 0.192 19.763 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 16.317 -0.322 19.236 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 16.088 1.070 19.786 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 12.652 -0.437 16.294 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 11.949 0.177 16.084 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 12.207 -1.275 16.425 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 6.886 1.587 15.842 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 7.064 0.941 16.525 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 6.832 2.421 16.309 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 22.355 -42.508 9.642 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 22.363 -42.644 8.694 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 21.439 -42.626 9.894 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 18.609 -40.318 10.480 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 19.149 -40.535 11.239 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 18.128 -41.124 10.290 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.206 -41.399 12.100 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 23.974 -41.858 12.441 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 23.185 -41.625 11.170 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 18.516 -46.508 11.434 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 18.660 -47.410 11.148 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 17.743 -46.222 10.946 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 19.734 -43.320 10.596 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 18.913 -43.145 10.136 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 19.482 -43.393 11.517 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 20.398 -48.962 24.109 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 20.440 -49.588 24.833 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 21.101 -48.339 24.291 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 18.642 -48.690 20.163 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 18.856 -49.460 20.690 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 19.380 -48.601 19.560 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 28.847 -40.533 21.030 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 29.467 -41.210 20.757 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 28.639 -40.751 21.938 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 26.419 -46.144 22.922 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 26.723 -46.830 22.328 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 27.141 -46.026 23.540 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 24.491 -49.702 20.500 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 25.107 -50.228 21.009 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 23.905 -50.342 20.096 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 28.894 -45.231 18.140 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 28.598 -45.553 17.289 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 28.570 -44.331 18.182 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 24.094 -47.055 24.884 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 23.354 -46.457 24.987 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 24.808 -46.501 24.568 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 22.502 -45.091 25.671 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 22.496 -44.212 25.293 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 21.648 -45.174 26.096 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 18.623 -45.420 16.453 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 18.351 -45.191 15.564 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 18.668 -44.582 16.913 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 30.500 -42.017 19.791 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 30.925 -42.724 19.306 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 30.817 -41.216 19.374 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 22.869 -47.748 19.384 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 22.539 -48.118 18.565 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 23.457 -48.418 19.730 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 23.236 -48.979 23.017 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 23.801 -48.858 22.254 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 23.555 -48.342 23.656 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 29.545 -43.476 23.751 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 29.304 -42.814 24.399 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 29.347 -44.310 24.176 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 24.116 -44.580 27.734 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 23.804 -43.798 28.190 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 23.466 -44.733 27.048 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 21.036 -48.382 26.963 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 21.106 -47.731 27.661 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 20.145 -48.279 26.628 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 27.821 -42.479 18.621 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 28.295 -42.184 19.399 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 27.258 -41.741 18.388 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 26.879 -43.295 27.230 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 26.966 -42.469 27.705 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 26.015 -43.625 27.479 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 27.293 -39.523 17.036 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 27.218 -39.644 16.090 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 27.326 -38.573 17.155 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 20.780 -46.527 29.069 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 21.513 -46.273 29.630 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 20.000 -46.323 29.584 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 25.980 -46.519 15.906 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 25.236 -47.026 15.583 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 25.846 -46.470 16.852 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 27.500 -46.335 27.143 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 27.154 -46.716 27.949 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 27.300 -45.401 27.214 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 21.105 -47.224 21.675 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 21.850 -47.226 21.074 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 21.183 -48.048 22.157 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 18.113 -48.763 26.990 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 18.336 -49.181 27.822 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 17.511 -49.376 26.568 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 29.750 -43.873 27.093 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 28.849 -43.690 26.825 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 29.784 -43.614 28.014 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 24.907 -46.043 18.656 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 24.666 -45.118 18.698 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 24.167 -46.502 19.052 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 28.966 -45.795 24.672 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 28.540 -46.022 25.498 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 29.547 -46.533 24.489 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 31.625 -41.243 27.141 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 31.023 -41.798 26.646 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 31.906 -40.576 26.515 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 24.197 -44.184 14.649 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 24.344 -44.704 15.439 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 24.194 -43.277 14.955 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 20.650 -46.931 15.159 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 19.964 -46.579 15.726 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 21.173 -46.168 14.913 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 26.935 -42.486 15.398 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 26.118 -41.989 15.451 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 27.464 -42.011 14.758 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 24.273 -41.443 15.380 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 24.434 -40.643 14.879 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 24.076 -41.136 16.265 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 21.266 -44.317 14.056 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.858 -43.618 14.332 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 21.725 -44.750 13.337 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 29.783 -43.019 29.685 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 29.432 -43.875 29.928 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 30.509 -42.876 30.292 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 18.516 -46.508 30.290 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 18.660 -47.410 30.004 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 17.743 -46.222 29.802 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 25.171 -46.538 29.723 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 24.843 -46.267 28.865 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 25.323 -47.479 29.635 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 19.348 -49.308 29.710 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 19.756 -50.165 29.589 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 19.088 -49.293 30.631 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 24.975 -39.258 13.992 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 25.908 -39.100 14.136 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 24.711 -38.583 13.367 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 18.543 -44.622 13.475 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 19.457 -44.543 13.748 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 18.550 -45.309 12.808 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 18.142 -48.073 22.808 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 18.326 -48.155 21.873 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 18.991 -48.197 23.232 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 29.344 -39.661 27.914 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 30.021 -40.293 27.674 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 29.666 -39.259 28.722 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 29.595 -40.723 24.909 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 28.691 -40.558 24.643 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 30.024 -39.870 24.843 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 27.620 -40.032 14.237 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 28.486 -39.666 14.059 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 27.373 -40.472 13.424 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 21.322 -44.512 41.500 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 20.952 -45.314 41.131 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 22.263 -44.681 41.547 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 18.642 -48.690 39.019 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 18.856 -49.460 39.546 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 19.380 -48.601 38.416 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 22.502 -45.091 44.527 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 22.496 -44.212 44.149 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 21.648 -45.174 44.952 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 18.623 -45.420 35.309 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 18.351 -45.191 34.420 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 18.668 -44.582 35.769 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 22.869 -47.748 38.240 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 22.539 -48.118 37.421 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 23.457 -48.418 38.586 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 24.236 -44.320 40.921 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 24.141 -44.898 40.164 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 24.965 -44.691 41.417 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 27.821 -42.479 37.477 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 28.295 -42.184 38.255 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 27.258 -41.741 37.244 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 22.355 -42.508 47.354 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 22.363 -42.644 46.406 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 21.439 -42.626 47.606 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 21.859 -48.678 35.829 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 21.567 -47.910 35.338 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 21.185 -49.338 35.666 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 27.293 -39.523 35.892 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 27.218 -39.644 34.946 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 27.326 -38.573 36.011 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 30.395 -40.369 32.895 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 30.770 -41.113 32.424 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 30.399 -40.639 33.813 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 30.064 -40.443 35.644 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 29.129 -40.343 35.823 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 30.344 -41.152 36.222 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 20.201 -44.992 45.687 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 20.418 -45.353 46.547 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 19.346 -45.366 45.477 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.980 -46.519 34.762 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.236 -47.026 34.439 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 25.846 -46.470 35.708 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 21.105 -47.224 40.531 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 21.850 -47.226 39.930 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 21.183 -48.048 41.013 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 28.106 -45.060 33.787 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 27.811 -44.234 34.169 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 27.403 -45.680 33.983 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 23.480 -43.706 37.936 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 24.007 -42.933 37.735 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 22.600 -43.481 37.634 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 19.235 -48.844 32.523 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.851 -48.217 32.902 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.373 -48.528 32.794 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 24.907 -46.043 37.512 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 24.666 -45.118 37.554 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 24.167 -46.502 37.908 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.422 -41.894 43.827 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 25.785 -41.039 43.594 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.954 -42.186 44.568 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 19.398 -42.205 43.839 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 19.615 -43.137 43.808 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 19.645 -41.931 44.723 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 25.260 -43.754 31.049 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 25.499 -44.502 30.501 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.991 -44.142 31.881 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.650 -46.931 34.015 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.964 -46.579 34.582 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 21.173 -46.168 33.769 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 26.935 -42.486 34.254 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 26.118 -41.989 34.307 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 27.464 -42.011 33.614 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 18.609 -40.318 48.192 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 19.149 -40.535 48.951 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 18.128 -41.124 48.002 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 27.298 -41.891 31.187 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 26.654 -42.522 31.509 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 28.060 -42.422 30.955 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 22.857 -46.164 31.278 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 22.921 -46.958 31.809 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 23.510 -46.283 30.589 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 28.209 -45.117 31.014 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 27.941 -44.937 31.915 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 28.003 -46.043 30.883 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 24.006 -48.192 33.584 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 23.547 -48.676 34.270 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 24.261 -48.860 32.948 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 18.142 -48.073 41.664 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 18.326 -48.155 40.729 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 18.991 -48.197 42.088 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 19.734 -43.320 48.308 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 18.913 -43.145 47.848 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 19.482 -43.393 49.229 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 22.688 -42.345 44.567 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 22.263 -41.536 44.284 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 23.593 -42.260 44.265 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 27.268 -39.601 42.820 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 26.811 -39.072 42.166 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 27.431 -38.998 43.545 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.183 -41.286 41.028 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.396 -42.174 40.741 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.248 -41.320 41.983 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 27.620 -40.032 33.093 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 28.486 -39.666 32.915 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.373 -40.472 32.280 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.322 -25.656 3.788 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 20.952 -26.458 3.419 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 22.263 -25.825 3.835 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 22.502 -26.235 6.815 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 22.496 -25.356 6.437 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 21.648 -26.318 7.240 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 24.116 -25.724 8.878 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 23.804 -24.942 9.334 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 23.466 -25.877 8.192 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 21.036 -29.526 8.107 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 21.106 -28.875 8.805 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 20.145 -29.423 7.772 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.355 -23.652 9.642 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.363 -23.788 8.694 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 21.439 -23.770 9.894 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 17.952 -27.459 6.932 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 17.451 -27.487 6.117 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 17.958 -28.365 7.242 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 17.703 -24.679 3.816 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 18.649 -24.823 3.797 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 17.590 -23.895 4.353 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 20.947 -21.878 -0.039 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 21.099 -22.226 0.840 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.096 -22.234 -0.294 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 20.201 -26.136 7.975 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 20.418 -26.497 8.835 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 19.346 -26.510 7.765 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 20.661 -32.380 6.933 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 20.623 -31.980 7.801 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 20.170 -33.197 7.023 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 18.113 -29.907 8.134 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 18.336 -30.325 8.966 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 17.511 -30.520 7.712 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 25.130 -30.390 10.347 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 24.834 -30.556 9.452 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 26.061 -30.610 10.337 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 19.747 -35.154 7.692 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 18.854 -34.815 7.625 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 19.648 -36.009 8.110 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 19.398 -23.349 6.127 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 19.615 -24.281 6.096 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 19.645 -23.075 7.011 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.171 -27.682 10.867 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 24.843 -27.411 10.009 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 25.323 -28.623 10.779 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 23.295 -31.443 8.228 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 22.677 -30.768 8.509 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 23.639 -31.122 7.395 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 22.113 -32.890 11.222 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 21.346 -33.422 11.012 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 22.792 -33.200 10.623 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 20.294 -34.969 10.927 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 20.505 -35.676 10.316 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 20.182 -35.407 11.771 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 25.428 -37.285 11.960 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 25.297 -37.761 11.139 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.829 -36.541 11.904 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 17.192 -20.373 -0.304 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 16.545 -20.835 -0.837 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 17.547 -21.045 0.279 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 18.062 -22.292 1.501 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 17.728 -23.173 1.673 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 18.284 -21.947 2.365 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 17.740 -33.946 10.093 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.659 -34.068 10.329 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 17.290 -34.696 10.482 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 22.688 -23.489 6.855 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 22.263 -22.680 6.572 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 23.593 -23.404 6.553 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 26.999 -22.090 9.814 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 27.184 -22.424 10.692 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 27.846 -21.781 9.492 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 20.090 -20.233 6.902 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 19.370 -19.793 6.451 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 19.724 -20.484 7.751 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.557 -20.633 5.932 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 21.692 -20.561 6.336 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 22.502 -20.086 5.148 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 19.505 -21.610 3.813 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.486 -22.035 4.670 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 20.310 -21.928 3.404 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 21.646 -22.900 2.468 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 21.427 -23.816 2.637 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 22.470 -22.760 2.934 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 19.976 -37.618 9.800 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 19.610 -38.383 10.243 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 20.889 -37.589 10.087 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 21.949 -38.267 11.336 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 22.848 -38.541 11.151 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 21.563 -39.010 11.800 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 28.030 -29.721 22.516 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 27.992 -30.367 23.221 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 27.707 -30.187 21.745 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 28.847 -21.677 21.030 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 29.467 -22.354 20.757 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 28.639 -21.895 21.938 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 26.419 -27.288 22.922 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 26.723 -27.974 22.328 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 27.141 -27.170 23.540 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 29.560 -32.894 23.250 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 29.703 -33.841 23.270 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 29.454 -32.687 22.321 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.491 -30.846 20.500 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 25.107 -31.372 21.009 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 23.905 -31.486 20.096 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 28.894 -26.375 18.140 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 28.598 -26.697 17.289 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.570 -25.475 18.182 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 30.500 -23.161 19.791 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 30.925 -23.868 19.306 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 30.817 -22.360 19.374 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 27.821 -23.623 18.621 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 28.295 -23.328 19.399 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 27.258 -22.885 18.388 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.355 -23.652 28.498 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 22.363 -23.788 27.550 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 21.439 -23.770 28.750 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 21.859 -29.822 16.973 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 21.567 -29.054 16.482 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.185 -30.482 16.810 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 26.879 -24.439 27.230 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 26.966 -23.613 27.705 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 26.015 -24.769 27.479 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 30.395 -21.513 14.039 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 30.770 -22.257 13.568 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 30.399 -21.783 14.957 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 30.064 -21.587 16.788 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 29.129 -21.487 16.967 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 30.344 -22.296 17.366 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 27.483 -37.944 26.201 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 27.903 -38.359 26.954 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 26.550 -38.122 26.318 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 27.145 -35.451 13.486 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 26.891 -35.432 14.409 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 26.888 -36.323 13.185 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 28.444 -32.063 17.651 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 28.035 -31.248 17.359 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 29.164 -32.203 17.036 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.546 -31.888 29.139 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 26.983 -32.592 29.459 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 28.372 -32.008 29.606 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.027 -35.006 12.587 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 23.596 -35.451 13.317 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 23.309 -34.634 12.075 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 28.712 -30.979 25.136 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 29.036 -31.610 24.493 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 28.272 -31.514 25.797 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.971 -33.423 16.403 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.903 -33.294 16.581 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.756 -32.753 15.754 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 29.895 -35.817 23.184 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 29.218 -35.686 23.848 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 29.409 -35.972 22.374 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 22.645 -32.228 13.970 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.103 -32.608 13.279 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 23.479 -32.034 13.541 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 26.810 -32.264 21.807 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 27.374 -32.811 21.260 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.662 -32.786 22.596 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.980 -27.663 15.906 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.236 -28.170 15.583 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 25.846 -27.614 16.852 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.500 -27.479 27.143 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.154 -27.860 27.949 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 27.300 -26.545 27.214 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 28.106 -26.204 14.931 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 27.811 -25.378 15.313 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 27.403 -26.824 15.127 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 24.907 -27.187 18.656 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 24.666 -26.262 18.698 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.167 -27.646 19.052 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.422 -23.038 24.971 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.785 -22.183 24.738 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 25.954 -23.330 25.712 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 25.260 -24.898 12.193 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 25.499 -25.646 11.645 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 24.991 -25.286 13.025 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.197 -25.328 14.649 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 24.344 -25.848 15.439 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 24.194 -24.421 14.955 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 28.482 -35.413 25.438 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.180 -35.339 26.088 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.101 -36.277 25.593 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 26.935 -23.630 15.398 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 26.118 -23.133 15.451 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 27.464 -23.155 14.758 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.466 -34.033 17.370 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 27.278 -33.529 17.416 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.221 -34.178 18.284 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 27.002 -33.047 26.555 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 27.121 -32.473 27.312 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 27.657 -33.735 26.670 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 27.350 -36.952 18.308 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 27.003 -36.334 18.953 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 28.008 -36.451 17.827 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 23.007 -35.889 14.996 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 22.924 -35.000 15.342 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.897 -36.154 15.227 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 19.582 -32.797 13.172 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 19.537 -31.858 13.351 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 18.694 -33.033 12.902 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 18.609 -21.462 29.336 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 19.149 -21.679 30.095 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 18.128 -22.268 29.146 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 23.206 -22.543 30.956 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 23.974 -23.002 31.297 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 23.185 -22.769 30.026 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 27.298 -23.035 12.331 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 26.654 -23.666 12.653 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 28.060 -23.566 12.099 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.171 -27.682 29.723 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.843 -27.411 28.865 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.323 -28.623 29.635 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 28.209 -26.261 12.158 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.941 -26.081 13.059 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 28.003 -27.187 12.027 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.006 -29.336 14.728 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.547 -29.820 15.414 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 24.261 -30.004 14.092 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 25.077 -31.093 12.991 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.897 -31.247 12.063 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 26.028 -30.985 13.035 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 28.315 -28.972 30.362 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 29.268 -28.888 30.334 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 28.155 -29.683 30.981 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 25.629 -30.279 25.899 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 26.380 -30.435 25.326 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 25.290 -29.427 25.623 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 30.045 -32.464 30.927 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 30.237 -33.395 30.816 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 30.902 -32.039 30.917 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 28.833 -34.813 28.730 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.885 -34.781 28.862 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 29.145 -35.438 29.384 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 32.349 -21.393 18.909 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 33.002 -21.740 18.301 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 32.860 -20.904 19.555 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 27.268 -20.745 23.964 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 26.811 -20.216 23.310 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 27.431 -20.142 24.689 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 27.692 -36.766 21.317 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 27.017 -37.395 21.572 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 28.256 -37.250 20.714 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 30.155 -38.175 20.601 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 30.231 -38.080 19.652 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 29.879 -39.083 20.730 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 25.742 -36.125 15.842 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 25.920 -36.771 16.525 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 25.688 -35.291 16.309 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 27.620 -21.176 14.237 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 28.486 -20.810 14.059 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 27.373 -21.616 13.424 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 30.371 -38.935 30.374 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 30.447 -39.361 31.228 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 31.264 -38.921 30.032 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.322 -25.656 41.500 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 20.952 -26.458 41.131 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.263 -25.825 41.547 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.491 -30.846 39.356 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 25.107 -31.372 39.865 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.905 -31.486 38.952 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 24.094 -28.199 43.740 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.354 -27.601 43.843 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 24.808 -27.645 43.424 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.502 -26.235 44.527 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.496 -25.356 44.149 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.648 -26.318 44.952 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.551 -38.569 40.905 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.434 -39.518 40.851 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 24.696 -38.237 41.178 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 27.818 -29.732 35.405 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 27.106 -29.197 35.054 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 28.509 -29.676 34.745 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 27.872 -31.274 32.444 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 28.573 -31.252 33.095 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 28.174 -31.902 31.788 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 22.869 -28.892 38.240 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 22.539 -29.262 37.421 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 23.457 -29.562 38.586 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.236 -30.123 41.873 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 23.801 -30.002 41.110 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.555 -29.486 42.512 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 21.036 -29.526 45.819 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 21.106 -28.875 46.517 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 20.145 -29.423 45.484 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 21.859 -29.822 35.829 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 21.567 -29.054 35.338 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 21.185 -30.482 35.666 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 17.703 -24.679 41.528 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 18.649 -24.823 41.509 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 17.590 -23.895 42.065 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 20.201 -26.136 45.687 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 20.418 -26.497 46.547 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 19.346 -26.510 45.477 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 27.483 -37.944 45.057 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 27.903 -38.359 45.810 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 26.550 -38.122 45.174 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 27.145 -35.451 32.342 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 26.891 -35.432 33.265 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 26.888 -36.323 32.041 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.908 -32.479 37.690 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 22.015 -32.820 37.631 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 23.359 -32.856 36.934 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 25.490 -35.052 38.776 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 24.579 -34.995 39.065 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 25.995 -35.112 39.587 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.971 -33.423 35.259 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 24.903 -33.294 35.437 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 23.756 -32.753 34.610 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 20.780 -27.671 47.925 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 21.513 -27.417 48.486 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 20.000 -27.467 48.440 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 26.810 -32.264 40.663 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 27.374 -32.811 40.116 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 26.662 -32.786 41.452 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 25.436 -33.876 43.077 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 24.601 -33.422 43.187 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 25.960 -33.600 43.829 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 25.980 -27.663 34.762 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 25.236 -28.170 34.439 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 25.846 -27.614 35.708 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 29.878 -34.849 32.961 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 28.940 -34.737 32.810 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 30.175 -33.992 33.267 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 21.105 -28.368 40.531 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 21.850 -28.370 39.930 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.183 -29.192 41.013 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 25.130 -30.390 48.059 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 24.834 -30.556 47.164 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 26.061 -30.610 48.049 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 23.480 -24.850 37.936 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.007 -24.077 37.735 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 22.600 -24.625 37.634 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.907 -27.187 37.512 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 24.666 -26.262 37.554 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.167 -27.646 37.908 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 19.398 -23.349 43.839 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 19.615 -24.281 43.808 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 19.645 -23.075 44.723 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.260 -24.898 31.049 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 25.499 -25.646 30.501 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.991 -25.286 31.881 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 24.197 -25.328 33.505 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 24.344 -25.848 34.295 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 24.194 -24.421 33.811 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 28.482 -35.413 44.294 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 29.180 -35.339 44.944 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 28.101 -36.277 44.449 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 26.466 -34.033 36.226 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 27.278 -33.529 36.272 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 26.221 -34.178 37.140 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 27.002 -33.047 45.411 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.121 -32.473 46.168 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.657 -33.735 45.526 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 27.350 -36.952 37.164 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 27.003 -36.334 37.809 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 28.008 -36.451 36.683 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 21.266 -25.461 32.912 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 21.858 -24.762 33.188 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 21.725 -25.894 32.193 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 19.320 -24.075 36.862 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 18.488 -23.602 36.889 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 19.866 -23.565 36.263 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 18.516 -27.652 49.146 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 18.660 -28.554 48.860 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 17.743 -27.366 48.658 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 22.857 -27.308 31.278 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 22.921 -28.102 31.809 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 23.510 -27.427 30.589 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 24.006 -29.336 33.584 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 23.547 -29.820 34.270 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 24.261 -30.004 32.948 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 23.295 -31.443 45.940 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 22.677 -30.768 46.221 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 23.639 -31.122 45.107 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.635 -34.088 47.023 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.785 -34.817 46.420 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.637 -33.311 46.464 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 24.047 -35.718 44.515 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 24.583 -35.267 43.863 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.195 -35.826 44.093 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 25.629 -30.279 44.755 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 26.380 -30.435 44.182 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 25.290 -29.427 44.479 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 22.113 -32.890 48.934 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 21.346 -33.422 48.724 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 22.792 -33.200 48.335 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 24.853 -38.262 44.947 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 24.755 -37.315 44.841 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 24.110 -38.634 44.471 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 20.294 -34.969 48.639 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 20.505 -35.676 48.028 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 20.182 -35.407 49.483 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 25.075 -38.968 47.618 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 25.787 -39.608 47.604 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 24.974 -38.701 46.704 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 17.192 -20.373 37.408 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 16.545 -20.835 36.875 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 17.547 -21.045 37.991 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 18.062 -22.292 39.213 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 17.728 -23.173 39.385 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 18.284 -21.947 40.077 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 19.734 -24.464 48.308 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 18.913 -24.289 47.848 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 19.482 -24.537 49.229 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 27.692 -36.766 40.173 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 27.017 -37.395 40.428 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 28.256 -37.250 39.570 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.598 -38.205 37.808 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 25.472 -37.817 37.778 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.462 -38.420 38.731 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 18.756 -22.386 34.696 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 18.071 -22.424 34.028 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 18.759 -21.473 34.984 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.742 -36.125 34.698 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.920 -36.771 35.381 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.688 -35.291 35.165 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 19.976 -37.618 47.512 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 19.610 -38.383 47.955 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 20.889 -37.589 47.799 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 21.949 -38.267 49.048 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.848 -38.541 48.863 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.563 -39.010 49.512 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 20.574 -21.466 31.721 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 20.306 -21.179 32.594 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 21.345 -22.012 31.873 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 18.544 -34.518 52.775 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 19.018 -33.927 52.190 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 17.826 -33.987 53.122 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 19.235 -29.988 51.379 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 19.851 -29.361 51.758 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 18.373 -29.672 51.650 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.650 -28.075 52.871 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 19.964 -27.723 53.438 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 21.173 -27.312 52.625 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.582 -32.797 50.884 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 19.537 -31.858 51.063 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 18.694 -33.033 50.614 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.857 -27.308 50.134 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 22.921 -28.102 50.665 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.510 -27.427 49.445 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 18.543 -25.766 51.187 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 19.457 -25.687 51.460 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 18.550 -26.453 50.520 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 20.716 -36.418 51.097 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.207 -37.048 50.569 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.339 -36.122 51.760 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 28.030 -10.865 3.660 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 27.992 -11.511 4.365 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 27.707 -11.331 2.889 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 17.932 -13.140 -0.819 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 17.484 -12.294 -0.837 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 17.371 -13.720 -1.334 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 18.642 -10.978 1.307 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 18.856 -11.748 1.834 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 19.380 -10.889 0.704 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.847 -2.821 2.174 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 29.467 -3.498 1.901 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 28.639 -3.039 3.082 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 19.335 -13.540 2.428 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 19.989 -14.090 2.860 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 19.359 -13.814 1.512 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 24.491 -11.990 1.644 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.107 -12.516 2.153 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 23.905 -12.630 1.240 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 21.525 -17.019 5.740 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 21.306 -16.489 4.974 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 20.857 -16.792 6.388 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 21.119 -15.127 3.693 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 21.732 -14.494 4.066 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 21.631 -15.599 3.036 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 22.869 -10.036 0.528 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 22.539 -10.406 -0.291 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 23.457 -10.706 0.874 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.236 -11.267 4.161 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.801 -11.146 3.398 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 23.555 -10.630 4.800 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 29.545 -5.764 4.895 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 29.304 -5.102 5.543 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 29.347 -6.598 5.320 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 27.821 -4.767 -0.235 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 28.295 -4.472 0.543 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 27.258 -4.029 -0.468 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 26.879 -5.583 8.374 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 26.966 -4.757 8.849 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 26.015 -5.913 8.623 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 20.947 -3.022 -0.039 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 21.099 -3.370 0.840 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 20.096 -3.378 -0.294 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 22.820 -18.810 3.971 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 21.959 -18.897 3.563 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 22.798 -17.954 4.398 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 22.911 -13.844 5.066 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 22.269 -13.885 5.775 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 22.948 -12.918 4.828 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 17.269 -16.408 0.783 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 17.900 -16.437 1.503 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 17.719 -16.833 0.053 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 28.712 -12.123 6.280 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 29.036 -12.754 5.637 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.272 -12.658 6.941 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 26.810 -13.408 2.951 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 27.374 -13.955 2.404 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 26.662 -13.930 3.740 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 25.436 -15.020 5.365 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 24.601 -14.566 5.475 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 25.960 -14.744 6.117 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 27.500 -8.623 8.287 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 27.154 -9.004 9.093 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 27.300 -7.689 8.358 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 25.130 -11.534 10.347 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 24.834 -11.700 9.452 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 26.061 -11.754 10.337 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 29.750 -6.161 8.237 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 28.849 -5.978 7.969 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 29.784 -5.902 9.158 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.480 -5.994 0.224 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 24.007 -5.221 0.023 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 22.600 -5.769 -0.078 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 24.907 -8.331 -0.200 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 24.666 -7.406 -0.158 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 24.167 -8.790 0.196 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 23.591 -3.309 -0.655 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 22.641 -3.204 -0.603 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 23.942 -2.489 -0.310 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 28.966 -8.083 5.816 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 28.540 -8.310 6.642 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 29.547 -8.821 5.633 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 27.002 -14.191 7.699 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 27.121 -13.617 8.456 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 27.657 -14.879 7.814 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 20.390 -19.159 2.989 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 20.161 -19.100 2.062 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 19.947 -19.951 3.296 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 19.320 -5.219 -0.850 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 18.488 -4.746 -0.823 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 19.866 -4.709 -1.449 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.783 -5.307 10.829 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 29.432 -6.163 11.072 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 30.509 -5.164 11.436 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 25.171 -8.826 10.867 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 24.843 -8.555 10.009 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 25.323 -9.767 10.779 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.315 -10.116 11.506 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 29.268 -10.032 11.478 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 28.155 -10.827 12.125 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 23.635 -15.232 9.311 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 23.785 -15.961 8.708 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 23.637 -14.455 8.752 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.047 -16.862 6.803 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.583 -16.411 6.151 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 23.195 -16.970 6.381 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.629 -11.423 7.043 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.380 -11.579 6.470 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.290 -10.571 6.767 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 26.117 -15.084 10.798 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 25.881 -15.304 11.700 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 25.334 -15.291 10.289 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 25.075 -20.112 9.906 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 25.787 -20.752 9.892 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 24.974 -19.845 8.992 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.428 -18.429 11.960 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 25.297 -18.905 11.139 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 24.829 -17.685 11.904 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 17.192 -1.517 -0.304 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 16.545 -1.979 -0.837 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 17.547 -2.189 0.279 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 18.062 -3.436 1.501 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 17.728 -4.317 1.673 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 18.284 -3.091 2.365 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 18.961 -16.778 2.984 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 19.406 -17.570 3.286 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 19.427 -16.062 3.415 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 26.999 -3.234 9.814 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 27.184 -3.568 10.692 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 27.846 -2.925 9.492 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 29.344 -1.949 9.058 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 30.021 -2.581 8.818 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 29.666 -1.547 9.866 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 27.268 -1.889 5.108 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.811 -1.360 4.454 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 27.431 -1.286 5.833 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 29.595 -3.011 6.053 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 28.691 -2.846 5.787 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 30.024 -2.158 5.987 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.505 -2.754 3.813 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.486 -3.179 4.670 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.310 -3.072 3.404 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 20.018 -19.276 0.283 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 19.241 -19.510 -0.225 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 20.549 -20.073 0.291 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 19.976 -18.762 9.800 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 19.610 -19.527 10.243 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.889 -18.733 10.087 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 29.097 -10.120 19.097 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 29.186 -9.176 18.965 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 28.458 -10.395 18.439 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 28.030 -10.865 22.516 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 27.992 -11.511 23.221 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 27.707 -11.331 21.745 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 29.560 -14.038 23.250 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 29.703 -14.985 23.270 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 29.454 -13.831 22.321 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 30.437 -15.806 18.923 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 31.083 -16.135 19.548 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 30.947 -15.288 18.300 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 21.525 -17.019 24.596 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 21.306 -16.489 23.830 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 20.857 -16.792 25.244 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 28.894 -7.519 18.140 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 28.598 -7.841 17.289 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.570 -6.619 18.182 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 22.502 -7.379 25.671 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 22.496 -6.500 25.293 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 21.648 -7.462 26.096 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 27.818 -10.876 16.549 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 27.106 -10.341 16.198 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 28.509 -10.820 15.889 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 27.872 -12.418 13.588 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 28.573 -12.396 14.239 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 28.174 -13.046 12.932 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 29.545 -5.764 23.751 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 29.304 -5.102 24.399 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 29.347 -6.598 24.176 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.116 -6.868 27.734 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 23.804 -6.086 28.190 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 23.466 -7.021 27.048 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 27.821 -4.767 18.621 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 28.295 -4.472 19.399 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 27.258 -4.029 18.388 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 17.703 -5.823 22.672 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 18.649 -5.967 22.653 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 17.590 -5.039 23.209 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 26.879 -5.583 27.230 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 26.966 -4.757 27.705 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 26.015 -5.913 27.479 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 27.293 -1.811 17.036 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 27.218 -1.932 16.090 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 27.326 -0.861 17.155 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.201 -7.280 26.831 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 20.418 -7.641 27.691 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.346 -7.654 26.621 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 27.145 -16.595 13.486 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 26.891 -16.576 14.409 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 26.888 -17.467 13.185 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 28.444 -13.207 17.651 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 28.035 -12.392 17.359 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 29.164 -13.347 17.036 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 27.546 -13.032 29.139 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 26.983 -13.736 29.459 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 28.372 -13.152 29.606 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 29.448 -13.761 20.465 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 29.253 -13.156 19.750 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 29.630 -14.595 20.030 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 28.712 -12.123 25.136 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 29.036 -12.754 24.493 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 28.272 -12.658 25.797 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 29.895 -16.961 23.184 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 29.218 -16.830 23.848 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 29.409 -17.116 22.374 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 22.645 -13.372 13.970 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 22.103 -13.752 13.279 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 23.479 -13.178 13.541 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.780 -8.815 29.069 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.513 -8.561 29.630 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.000 -8.611 29.584 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 25.436 -15.020 24.221 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 24.601 -14.566 24.331 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 25.960 -14.744 24.973 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 25.980 -8.807 15.906 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 25.236 -9.314 15.583 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.846 -8.758 16.852 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 29.878 -15.993 14.105 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 28.940 -15.881 13.954 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 30.175 -15.136 14.411 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 27.500 -8.623 27.143 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 27.154 -9.004 27.949 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 27.300 -7.689 27.214 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 30.596 -14.126 15.766 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 31.488 -14.263 16.085 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 30.653 -13.335 15.229 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 25.130 -11.534 29.203 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 24.834 -11.700 28.308 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 26.061 -11.754 29.193 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 30.937 -10.322 22.947 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 30.009 -10.554 22.920 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 31.388 -11.099 22.617 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 23.480 -5.994 19.080 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.007 -5.221 18.879 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.600 -5.769 18.778 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 25.422 -4.182 24.971 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 25.785 -3.327 24.738 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 25.954 -4.474 25.712 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 23.591 -3.309 18.201 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 22.641 -3.204 18.253 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 23.942 -2.489 18.546 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 28.966 -8.083 24.672 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 28.540 -8.310 25.498 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 29.547 -8.821 24.489 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 19.398 -4.493 24.983 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.615 -5.425 24.952 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 19.645 -4.219 25.867 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 25.260 -6.042 12.193 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 25.499 -6.790 11.645 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 24.991 -6.430 13.025 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 24.197 -6.472 14.649 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 24.344 -6.992 15.439 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 24.194 -5.565 14.955 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 28.482 -16.557 25.438 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 29.180 -16.483 26.088 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 28.101 -17.421 25.593 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 29.266 -16.905 16.535 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 29.486 -16.433 15.732 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 29.824 -16.510 17.206 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 26.935 -4.774 15.398 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 26.118 -4.277 15.451 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 27.464 -4.299 14.758 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 27.002 -14.191 26.555 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 27.121 -13.617 27.312 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 27.657 -14.879 26.670 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 24.273 -3.731 15.380 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 24.434 -2.931 14.879 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 24.076 -3.424 16.265 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 27.298 -4.179 12.331 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.654 -4.810 12.653 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 28.060 -4.710 12.099 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.516 -8.796 30.290 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 18.660 -9.698 30.004 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 17.743 -8.510 29.802 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 22.857 -8.452 12.422 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.921 -9.246 12.953 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.510 -8.571 11.733 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 25.171 -8.826 29.723 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 24.843 -8.555 28.865 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.323 -9.767 29.635 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 28.209 -7.405 12.158 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 27.941 -7.225 13.059 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 28.003 -8.331 12.027 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 24.006 -10.480 14.728 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.547 -10.964 15.414 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 24.261 -11.148 14.092 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 25.077 -12.237 12.991 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.897 -12.391 12.063 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 26.028 -12.129 13.035 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 24.047 -16.862 25.659 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 24.583 -16.411 25.007 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 23.195 -16.970 25.237 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 25.629 -11.423 25.899 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 26.380 -11.579 25.326 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.290 -10.571 25.623 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 24.853 -19.406 26.091 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 24.755 -18.459 25.985 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 24.110 -19.778 25.615 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 26.117 -15.084 29.654 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 25.881 -15.304 30.556 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.334 -15.291 29.145 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 28.833 -15.957 28.730 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.885 -15.925 28.862 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 29.145 -16.582 29.384 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 25.075 -20.112 28.762 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 25.787 -20.752 28.748 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 24.974 -19.845 27.848 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 25.428 -18.429 30.816 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 25.297 -18.905 29.995 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 24.829 -17.685 30.760 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 24.975 -1.546 13.992 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 25.908 -1.388 14.136 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 24.711 -0.871 13.367 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 18.062 -3.436 20.357 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 17.728 -4.317 20.529 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 18.284 -3.091 21.221 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 19.734 -5.608 29.452 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.913 -5.433 28.992 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 19.482 -5.681 30.373 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 22.688 -4.633 25.711 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 22.263 -3.824 25.428 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 23.593 -4.548 25.409 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 19.505 -2.754 22.669 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 19.486 -3.179 23.526 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 20.310 -3.072 22.260 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 21.646 -4.044 21.324 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 21.427 -4.960 21.493 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 22.470 -3.904 21.790 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 24.183 -3.574 22.172 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 24.396 -4.462 21.885 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 24.248 -3.608 23.127 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 27.692 -17.910 21.317 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 27.017 -18.539 21.572 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 28.256 -18.394 20.714 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 30.155 -19.319 20.601 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 30.231 -19.224 19.652 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 29.879 -20.227 20.730 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 31.508 -19.293 16.294 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 30.805 -18.679 16.084 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 31.063 -20.131 16.425 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 27.620 -2.320 14.237 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 28.486 -1.954 14.059 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 27.373 -2.760 13.424 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 19.976 -18.762 28.656 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 19.610 -19.527 29.099 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 20.889 -18.733 28.943 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 21.949 -19.411 30.192 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 22.848 -19.685 30.007 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 21.563 -20.154 30.656 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 17.932 -13.140 36.893 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 17.484 -12.294 36.875 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 17.371 -13.720 36.378 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 27.872 -12.418 32.444 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 28.573 -12.396 33.095 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 28.174 -13.046 31.788 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 21.859 -10.966 35.829 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 21.567 -10.198 35.338 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 21.185 -11.626 35.666 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 27.145 -16.595 32.342 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 26.891 -16.576 33.265 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 26.888 -17.467 32.041 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 24.027 -16.150 31.443 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 23.596 -16.595 32.173 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 23.309 -15.778 30.931 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 17.269 -16.408 38.495 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 17.900 -16.437 39.215 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 17.719 -16.833 37.765 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 18.544 -15.662 33.919 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 19.018 -15.071 33.334 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 17.826 -15.131 34.266 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 23.971 -14.567 35.259 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.903 -14.438 35.437 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.756 -13.897 34.610 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 19.235 -11.132 32.523 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 19.851 -10.505 32.902 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 18.373 -10.816 32.794 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 20.650 -9.219 34.015 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 19.964 -8.867 34.582 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 21.173 -8.456 33.769 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 23.007 -17.033 33.852 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 22.924 -16.144 34.198 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 23.897 -17.298 34.083 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 22.857 -8.452 31.278 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 22.921 -9.246 31.809 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 23.510 -8.571 30.589 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 24.006 -10.480 33.584 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 23.547 -10.964 34.270 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 24.261 -11.148 32.948 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 25.077 -12.237 31.847 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 24.897 -12.391 30.919 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 26.028 -12.129 31.891 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 18.543 -6.910 32.331 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 19.457 -6.831 32.604 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 18.550 -7.597 31.664 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 17.578 -17.521 35.820 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 16.653 -17.312 35.690 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 18.032 -17.037 35.130 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 20.018 -19.276 37.995 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 19.241 -19.510 37.487 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 20.549 -20.073 38.003 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.855 -19.478 33.798 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 19.294 -18.867 33.207 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 18.221 -18.940 34.272 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 20.716 -17.562 32.241 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 21.207 -18.192 31.713 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 21.339 -17.266 32.904 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.742 -17.269 34.698 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 25.920 -17.915 35.381 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 25.688 -16.435 35.165 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 18.642 7.878 1.307 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 18.856 7.108 1.834 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.380 7.967 0.704 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 22.715 2.919 1.666 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 22.758 3.779 1.248 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.257 2.367 1.033 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 19.335 5.316 2.428 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 19.989 4.766 2.860 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 19.359 5.042 1.512 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 24.491 6.866 1.644 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 25.107 6.340 2.153 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 23.905 6.226 1.240 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 24.094 9.513 6.028 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 23.354 10.111 6.131 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 24.808 10.067 5.712 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 22.502 11.477 6.815 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 22.496 12.356 6.437 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 21.648 11.394 7.240 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 25.551 -0.857 3.193 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 25.434 -1.806 3.139 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.696 -0.525 3.466 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 23.236 7.589 4.161 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 23.801 7.710 3.398 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.555 8.226 4.800 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 17.952 10.253 6.932 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 17.451 10.225 6.117 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 17.958 9.347 7.242 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.201 11.576 7.975 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.418 11.215 8.835 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.346 11.202 7.765 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 30.809 3.524 8.199 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 30.295 3.398 8.996 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 30.654 4.436 7.954 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 22.908 5.233 -0.022 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 22.015 4.892 -0.081 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 23.359 4.856 -0.778 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 27.546 5.824 10.283 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 26.983 5.120 10.603 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 28.372 5.704 10.750 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 17.269 2.448 0.783 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 17.900 2.419 1.503 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 17.719 2.023 0.053 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 25.490 2.660 1.064 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 24.579 2.717 1.353 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.995 2.600 1.875 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 20.318 4.289 -0.109 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 19.429 4.389 -0.449 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 20.614 3.447 -0.455 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 29.895 1.895 4.328 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 29.218 2.026 4.992 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 29.409 1.740 3.518 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 20.780 10.041 10.213 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 21.513 10.295 10.774 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 20.000 10.245 10.728 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 26.810 5.448 2.951 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 27.374 4.901 2.404 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 26.662 4.926 3.740 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.436 3.836 5.365 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 24.601 4.290 5.475 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.960 4.112 6.117 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 21.105 9.344 2.819 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 21.850 9.342 2.218 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.183 8.520 3.301 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 25.130 7.322 10.347 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 24.834 7.156 9.452 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 26.061 7.102 10.337 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.482 2.299 6.582 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 29.180 2.373 7.232 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 28.101 1.435 6.737 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 27.002 4.665 7.699 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 27.121 5.239 8.456 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 27.657 3.977 7.814 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 20.390 -0.303 2.989 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 20.161 -0.244 2.062 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 19.947 -1.095 3.296 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 18.516 10.060 11.434 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 18.660 9.158 11.148 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 17.743 10.346 10.946 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 25.171 10.030 10.867 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 24.843 10.301 10.009 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 25.323 9.089 10.779 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 25.629 7.433 7.043 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 26.380 7.277 6.470 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 25.290 8.285 6.767 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 30.045 5.248 12.071 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 30.237 4.317 11.960 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 30.902 5.673 12.061 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 28.833 2.899 9.874 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 27.885 2.931 10.006 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 29.145 2.274 10.528 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 30.467 1.533 11.879 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.370 0.581 11.873 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 30.145 1.802 12.740 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 18.142 8.495 3.952 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 18.326 8.413 3.017 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 18.991 8.371 4.376 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 18.961 2.078 2.984 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 19.406 1.286 3.286 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 19.427 2.794 3.415 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 17.265 5.077 4.053 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 17.757 4.856 3.263 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 17.627 5.918 4.334 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 17.578 1.335 -1.892 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 16.653 1.544 -2.022 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.032 1.819 -2.582 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 27.692 0.946 2.461 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 27.017 0.317 2.716 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 28.256 0.462 1.858 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 20.018 -0.420 0.283 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 19.241 -0.654 -0.225 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 20.549 -1.217 0.291 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 24.598 -0.493 0.096 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 25.472 -0.105 0.066 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 24.462 -0.708 1.019 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 30.371 -1.223 11.518 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 30.447 -1.649 12.372 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 31.264 -1.209 11.176 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 17.932 5.716 18.037 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 17.484 6.562 18.019 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 17.371 5.136 17.522 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 22.715 2.919 20.522 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 22.758 3.779 20.104 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 22.257 2.367 19.889 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 27.872 6.438 13.588 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 28.573 6.460 14.239 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 28.174 5.810 12.932 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 27.145 2.261 13.486 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 26.891 2.280 14.409 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 26.888 1.389 13.185 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 17.269 2.448 19.639 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 17.900 2.419 20.359 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 17.719 2.023 18.909 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 18.544 3.194 15.063 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 19.018 3.785 14.478 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 17.826 3.725 15.410 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 20.318 4.289 18.747 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 19.429 4.389 18.407 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 20.614 3.447 18.401 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 23.971 4.289 16.403 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 24.903 4.418 16.581 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 23.756 4.959 15.754 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 22.645 5.484 13.970 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 22.103 5.104 13.279 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 23.479 5.678 13.541 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 21.812 1.584 18.225 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 21.495 0.682 18.190 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 22.593 1.586 17.673 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 29.878 2.863 14.105 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 28.940 2.975 13.954 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 30.175 3.720 14.411 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 19.235 7.724 13.667 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 19.851 8.351 14.046 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 18.373 8.040 13.938 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 23.007 1.823 14.996 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 22.924 2.712 15.342 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 23.897 1.558 15.227 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 19.582 4.915 13.172 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 19.537 5.854 13.351 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 18.694 4.679 12.902 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 20.390 -0.303 21.845 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 20.161 -0.244 20.918 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 19.947 -1.095 22.152 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 22.857 10.404 12.422 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 22.921 9.610 12.953 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 23.510 10.285 11.733 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 25.077 6.619 12.991 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 24.897 6.465 12.063 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 26.028 6.727 13.035 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 18.961 2.078 21.840 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 19.406 1.286 22.142 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 19.427 2.794 22.271 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 20.018 -0.420 19.139 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.241 -0.654 18.631 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 20.549 -1.217 19.147 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 24.598 -0.493 18.952 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 25.472 -0.105 18.922 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.462 -0.708 19.875 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 25.742 1.587 15.842 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 25.920 0.941 16.525 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 25.688 2.421 16.309 0.00 0.00 WAT1 END