REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" 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:17-Dec-2009 14:30:07 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -7.735 -13.368 -13.591 1.00 12.31 ATOM 2 CB MET 1 -5.749 -13.585 -14.356 1.00 72.13 ATOM 3 HB1 MET 1 -5.070 -13.031 -14.990 1.00 39.32 ATOM 4 HB2 MET 1 -5.943 -14.547 -14.811 1.00 51.32 ATOM 5 CG MET 1 -5.078 -13.805 -13.010 1.00 61.34 ATOM 6 HG1 MET 1 -5.824 -14.127 -12.294 1.00 39.32 ATOM 7 HG2 MET 1 -4.648 -12.870 -12.682 1.00 65.02 ATOM 8 SD MET 1 -3.771 -15.046 -13.081 1.00 12.34 ATOM 9 CE MET 1 -3.796 -15.659 -11.398 1.00 4.22 ATOM 10 HE1 MET 1 -4.771 -16.070 -11.179 1.00 51.25 ATOM 11 HE2 MET 1 -3.586 -14.848 -10.716 1.00 70.22 ATOM 12 HE3 MET 1 -3.047 -16.429 -11.284 1.00 23.20 ATOM 13 C MET 1 -6.841 -11.430 -13.707 1.00 4.23 ATOM 14 O MET 1 -5.821 -10.803 -13.991 1.00 23.24 ATOM 15 N MET 1 -7.720 -12.771 -15.569 1.00 44.41 ATOM 16 HT1 MET 1 -8.636 -12.278 -15.499 1.00 39.32 ATOM 17 HT2 MET 1 -7.895 -13.733 -15.930 1.00 39.32 ATOM 18 HT3 MET 1 -7.120 -12.261 -16.255 1.00 39.32 ATOM 19 CA MET 1 -7.077 -12.831 -14.261 1.00 41.15 ATOM 20 N GLY 2 -7.791 -10.944 -12.914 1.00 11.30 ATOM 21 HN GLY 2 -8.585 -11.495 -12.711 1.00 39.32 ATOM 22 CA GLY 2 -7.667 -9.620 -12.333 1.00 10.32 ATOM 23 HA1 GLY 2 -7.248 -8.942 -13.069 1.00 39.32 ATOM 24 HA2 GLY 2 -6.990 -9.672 -11.492 1.00 15.54 ATOM 25 C GLY 2 -8.999 -9.060 -11.875 1.00 33.54 ATOM 26 O GLY 2 -9.828 -8.660 -12.693 1.00 64.33 ATOM 27 N HIS 3 -9.208 -9.034 -10.562 1.00 52.41 ATOM 28 HN HIS 3 -8.502 -9.356 -9.951 1.00 39.32 ATOM 29 CA HIS 3 -10.451 -8.520 -9.996 1.00 64.11 ATOM 30 HA HIS 3 -11.260 -8.743 -10.686 1.00 41.43 ATOM 31 CB HIS 3 -10.751 -9.207 -8.664 1.00 30.24 ATOM 32 HB1 HIS 3 -11.639 -8.770 -8.225 1.00 39.32 ATOM 33 HB2 HIS 3 -9.916 -9.060 -7.995 1.00 73.44 ATOM 34 CG HIS 3 -10.982 -10.682 -8.789 1.00 11.32 ATOM 35 ND1 HIS 3 -9.963 -11.610 -8.742 1.00 13.25 ATOM 36 HD1 HIS 3 -9.011 -11.410 -8.626 1.00 74.25 ATOM 37 CD2 HIS 3 -12.124 -11.388 -8.959 1.00 15.44 ATOM 38 HD2 HIS 3 -13.123 -10.982 -9.038 1.00 65.33 ATOM 39 CE1 HIS 3 -10.469 -12.823 -8.879 1.00 2.43 ATOM 40 HE1 HIS 3 -9.908 -13.746 -8.880 1.00 63.01 ATOM 41 NE2 HIS 3 -11.779 -12.715 -9.012 1.00 24.54 ATOM 42 HE2 HIS 3 -12.388 -13.454 -9.221 1.00 39.32 ATOM 43 C HIS 3 -10.373 -7.009 -9.797 1.00 33.51 ATOM 44 O HIS 3 -9.360 -6.485 -9.333 1.00 71.14 ATOM 45 N HIS 4 -11.450 -6.315 -10.151 1.00 10.22 ATOM 46 HN HIS 4 -12.233 -6.786 -10.520 1.00 39.32 ATOM 47 CA HIS 4 -11.504 -4.864 -10.011 1.00 42.10 ATOM 48 HA HIS 4 -10.506 -4.484 -9.819 1.00 35.24 ATOM 49 CB HIS 4 -12.027 -4.225 -11.298 1.00 20.40 ATOM 50 HB1 HIS 4 -12.247 -3.179 -11.122 1.00 39.32 ATOM 51 HB2 HIS 4 -12.931 -4.730 -11.601 1.00 53.24 ATOM 52 CG HIS 4 -11.059 -4.296 -12.438 1.00 64.23 ATOM 53 ND1 HIS 4 -10.217 -3.258 -12.776 1.00 42.33 ATOM 54 HD1 HIS 4 -10.166 -2.392 -12.321 1.00 60.30 ATOM 55 CD2 HIS 4 -10.800 -5.290 -13.320 1.00 23.44 ATOM 56 HD2 HIS 4 -11.278 -6.259 -13.352 1.00 53.21 ATOM 57 CE1 HIS 4 -9.483 -3.609 -13.817 1.00 73.42 ATOM 58 HE1 HIS 4 -8.736 -2.996 -14.299 1.00 11.02 ATOM 59 NE2 HIS 4 -9.817 -4.839 -14.166 1.00 53.20 ATOM 60 HE2 HIS 4 -9.495 -5.307 -14.965 1.00 39.32 ATOM 61 C HIS 4 -12.389 -4.464 -8.834 1.00 41.04 ATOM 62 O HIS 4 -12.068 -3.537 -8.090 1.00 54.53 ATOM 63 N HIS 5 -13.504 -5.169 -8.672 1.00 52.14 ATOM 64 HN HIS 5 -13.719 -5.899 -9.297 1.00 39.32 ATOM 65 CA HIS 5 -14.436 -4.887 -7.586 1.00 61.02 ATOM 66 HA HIS 5 -14.386 -3.831 -7.347 1.00 50.43 ATOM 67 CB HIS 5 -15.865 -5.225 -8.011 1.00 71.32 ATOM 68 HB1 HIS 5 -16.530 -5.112 -7.163 1.00 39.32 ATOM 69 HB2 HIS 5 -15.898 -6.249 -8.351 1.00 42.11 ATOM 70 CG HIS 5 -16.384 -4.354 -9.113 1.00 72.34 ATOM 71 ND1 HIS 5 -16.136 -3.000 -9.182 1.00 54.43 ATOM 72 HD1 HIS 5 -15.614 -2.479 -8.537 1.00 22.25 ATOM 73 CD2 HIS 5 -17.140 -4.652 -10.196 1.00 35.43 ATOM 74 HD2 HIS 5 -17.519 -5.628 -10.464 1.00 34.14 ATOM 75 CE1 HIS 5 -16.719 -2.502 -10.258 1.00 52.22 ATOM 76 HE1 HIS 5 -16.695 -1.468 -10.568 1.00 11.13 ATOM 77 NE2 HIS 5 -17.335 -3.484 -10.891 1.00 22.21 ATOM 78 HE2 HIS 5 -17.762 -3.409 -11.770 1.00 39.32 ATOM 79 C HIS 5 -14.065 -5.676 -6.334 1.00 2.52 ATOM 80 O HIS 5 -13.932 -5.110 -5.248 1.00 40.31 ATOM 81 N HIS 6 -13.900 -6.985 -6.492 1.00 4.00 ATOM 82 HN HIS 6 -14.010 -7.381 -7.390 1.00 39.32 ATOM 83 CA HIS 6 -13.544 -7.851 -5.374 1.00 30.33 ATOM 84 HA HIS 6 -14.124 -7.544 -4.508 1.00 22.20 ATOM 85 CB HIS 6 -13.881 -9.306 -5.701 1.00 64.32 ATOM 86 HB1 HIS 6 -13.417 -9.960 -4.972 1.00 39.32 ATOM 87 HB2 HIS 6 -13.498 -9.545 -6.682 1.00 71.22 ATOM 88 CG HIS 6 -15.350 -9.596 -5.702 1.00 52.54 ATOM 89 ND1 HIS 6 -16.186 -9.242 -6.741 1.00 0.15 ATOM 90 HD1 HIS 6 -15.916 -8.779 -7.561 1.00 1.22 ATOM 91 CD2 HIS 6 -16.132 -10.210 -4.784 1.00 72.14 ATOM 92 HD2 HIS 6 -15.808 -10.620 -3.838 1.00 34.34 ATOM 93 CE1 HIS 6 -17.419 -9.625 -6.460 1.00 42.13 ATOM 94 HE1 HIS 6 -18.284 -9.481 -7.090 1.00 12.44 ATOM 95 NE2 HIS 6 -17.413 -10.215 -5.279 1.00 33.51 ATOM 96 HE2 HIS 6 -18.210 -10.514 -4.793 1.00 39.32 ATOM 97 C HIS 6 -12.061 -7.723 -5.037 1.00 74.12 ATOM 98 O HIS 6 -11.228 -7.525 -5.922 1.00 72.21 ATOM 99 N HIS 7 -11.739 -7.836 -3.753 1.00 31.35 ATOM 100 HN HIS 7 -12.453 -7.980 -3.086 1.00 39.32 ATOM 101 CA HIS 7 -10.357 -7.733 -3.299 1.00 44.12 ATOM 102 HA HIS 7 -9.716 -8.190 -4.045 1.00 50.31 ATOM 103 CB HIS 7 -9.958 -6.265 -3.141 1.00 32.34 ATOM 104 HB1 HIS 7 -10.139 -5.750 -4.073 1.00 39.32 ATOM 105 HB2 HIS 7 -8.906 -6.205 -2.903 1.00 54.32 ATOM 106 CG HIS 7 -10.718 -5.551 -2.065 1.00 62.24 ATOM 107 ND1 HIS 7 -10.147 -5.162 -0.872 1.00 21.30 ATOM 108 HD1 HIS 7 -9.214 -5.307 -0.609 1.00 43.32 ATOM 109 CD2 HIS 7 -12.011 -5.154 -2.009 1.00 64.22 ATOM 110 HD2 HIS 7 -12.758 -5.294 -2.777 1.00 30.43 ATOM 111 CE1 HIS 7 -11.056 -4.559 -0.128 1.00 10.44 ATOM 112 HE1 HIS 7 -10.894 -4.149 0.858 1.00 24.15 ATOM 113 NE2 HIS 7 -12.196 -4.540 -0.795 1.00 23.10 ATOM 114 HE2 HIS 7 -13.006 -4.066 -0.515 1.00 39.32 ATOM 115 C HIS 7 -10.161 -8.471 -1.978 1.00 53.22 ATOM 116 O HIS 7 -11.101 -8.626 -1.197 1.00 4.30 ATOM 117 N HIS 8 -8.936 -8.925 -1.735 1.00 61.10 ATOM 118 HN HIS 8 -8.224 -8.775 -2.403 1.00 39.32 ATOM 119 CA HIS 8 -8.618 -9.647 -0.508 1.00 63.23 ATOM 120 HA HIS 8 -8.929 -9.033 0.330 1.00 61.52 ATOM 121 CB HIS 8 -9.370 -10.977 -0.465 1.00 32.42 ATOM 122 HB1 HIS 8 -8.916 -11.674 -1.158 1.00 39.32 ATOM 123 HB2 HIS 8 -10.397 -10.826 -0.750 1.00 40.12 ATOM 124 CG HIS 8 -9.379 -11.616 0.890 1.00 73.42 ATOM 125 ND1 HIS 8 -8.789 -12.835 1.151 1.00 3.31 ATOM 126 HD1 HIS 8 -8.317 -13.394 0.499 1.00 14.32 ATOM 127 CD2 HIS 8 -9.910 -11.198 2.062 1.00 35.24 ATOM 128 HD2 HIS 8 -10.450 -10.276 2.228 1.00 74.22 ATOM 129 CE1 HIS 8 -8.958 -13.139 2.425 1.00 23.15 ATOM 130 HE1 HIS 8 -8.596 -14.033 2.901 1.00 15.24 ATOM 131 NE2 HIS 8 -9.635 -12.162 3.001 1.00 71.11 ATOM 132 HE2 HIS 8 -10.114 -12.248 3.847 1.00 39.32 ATOM 133 C HIS 8 -7.116 -9.895 -0.398 1.00 13.34 ATOM 134 O HIS 8 -6.399 -9.877 -1.398 1.00 1.33 ATOM 135 N SER 9 -6.648 -10.125 0.825 1.00 41.21 ATOM 136 HN SER 9 -7.267 -10.124 1.592 1.00 39.32 ATOM 137 CA SER 9 -5.231 -10.371 1.067 1.00 72.32 ATOM 138 HA SER 9 -4.654 -9.872 0.294 1.00 41.04 ATOM 139 CB SER 9 -4.815 -9.793 2.421 1.00 51.34 ATOM 140 HB1 SER 9 -5.221 -8.797 2.528 1.00 39.32 ATOM 141 HB2 SER 9 -3.737 -9.748 2.474 1.00 11.20 ATOM 142 OG SER 9 -5.289 -10.597 3.486 1.00 21.45 ATOM 143 HG SER 9 -4.866 -10.327 4.304 1.00 12.42 ATOM 144 C SER 9 -4.925 -11.865 1.024 1.00 65.24 ATOM 145 O SER 9 -5.716 -12.687 1.487 1.00 1.12 ATOM 146 N HIS 10 -3.769 -12.210 0.463 1.00 15.20 ATOM 147 HN HIS 10 -3.173 -11.514 0.102 1.00 39.32 ATOM 148 CA HIS 10 -3.356 -13.605 0.359 1.00 54.11 ATOM 149 HA HIS 10 -4.087 -14.232 0.852 1.00 4.14 ATOM 150 CB HIS 10 -3.288 -14.030 -1.108 1.00 62.30 ATOM 151 HB1 HIS 10 -2.532 -13.445 -1.616 1.00 39.32 ATOM 152 HB2 HIS 10 -4.246 -13.845 -1.571 1.00 31.24 ATOM 153 CG HIS 10 -2.962 -15.480 -1.297 1.00 2.13 ATOM 154 ND1 HIS 10 -3.406 -16.468 -0.444 1.00 75.43 ATOM 155 HD1 HIS 10 -3.965 -16.333 0.349 1.00 73.31 ATOM 156 CD2 HIS 10 -2.231 -16.106 -2.248 1.00 73.45 ATOM 157 HD2 HIS 10 -1.728 -15.637 -3.082 1.00 45.54 ATOM 158 CE1 HIS 10 -2.962 -17.640 -0.863 1.00 31.14 ATOM 159 HE1 HIS 10 -3.153 -18.593 -0.392 1.00 24.02 ATOM 160 NE2 HIS 10 -2.247 -17.448 -1.956 1.00 63.12 ATOM 161 HE2 HIS 10 -1.880 -18.158 -2.523 1.00 39.32 ATOM 162 C HIS 10 -2.002 -13.822 1.028 1.00 54.13 ATOM 163 O HIS 10 -0.985 -14.040 0.369 1.00 33.20 ATOM 164 N PRO 11 -1.987 -13.760 2.367 1.00 23.15 ATOM 165 CA PRO 11 -0.764 -13.947 3.154 1.00 11.13 ATOM 166 HA PRO 11 0.019 -13.276 2.825 1.00 3.34 ATOM 167 CB PRO 11 -1.194 -13.566 4.573 1.00 22.23 ATOM 168 HB1 PRO 11 -0.973 -12.523 4.742 1.00 39.32 ATOM 169 HB2 PRO 11 -0.674 -14.165 5.308 1.00 4.45 ATOM 170 CG PRO 11 -2.663 -13.810 4.603 1.00 71.55 ATOM 171 HG1 PRO 11 -3.130 -13.154 5.322 1.00 39.32 ATOM 172 HG2 PRO 11 -2.859 -14.842 4.853 1.00 61.35 ATOM 173 CD PRO 11 -3.162 -13.504 3.217 1.00 5.44 ATOM 174 HD1 PRO 11 -3.464 -12.472 3.157 1.00 39.32 ATOM 175 HD2 PRO 11 -3.982 -14.158 2.965 1.00 44.32 ATOM 176 C PRO 11 -0.265 -15.387 3.117 1.00 33.42 ATOM 177 O PRO 11 -1.034 -16.326 3.321 1.00 13.33 ATOM 178 N ASN 12 1.027 -15.555 2.856 1.00 40.22 ATOM 179 HN ASN 12 1.596 -14.763 2.703 1.00 39.32 ATOM 180 CA ASN 12 1.628 -16.882 2.792 1.00 43.00 ATOM 181 HA ASN 12 1.120 -17.445 2.018 1.00 73.31 ATOM 182 CB ASN 12 3.114 -16.775 2.442 1.00 71.30 ATOM 183 HB1 ASN 12 3.606 -17.725 2.593 1.00 39.32 ATOM 184 HB2 ASN 12 3.571 -16.040 3.088 1.00 23.34 ATOM 185 CG ASN 12 3.340 -16.365 1.000 1.00 41.23 ATOM 186 OD1 ASN 12 2.637 -16.817 0.096 1.00 34.13 ATOM 187 ND2 ASN 12 4.326 -15.503 0.778 1.00 70.34 ATOM 188 HD21 ASN 12 4.857 -15.174 1.538 1.00 61.22 ATOM 189 HD22 ASN 12 4.488 -15.225 -0.148 1.00 73.45 ATOM 190 C ASN 12 1.458 -17.620 4.116 1.00 21.51 ATOM 191 O ASN 12 0.857 -17.100 5.055 1.00 5.43 ATOM 192 N GLU 13 1.992 -18.836 4.182 1.00 32.24 ATOM 193 HN GLU 13 2.441 -19.215 3.391 1.00 39.32 ATOM 194 CA GLU 13 1.898 -19.646 5.391 1.00 4.15 ATOM 195 HA GLU 13 0.869 -19.671 5.704 1.00 60.32 ATOM 196 CB GLU 13 2.357 -21.078 5.110 1.00 70.25 ATOM 197 HB1 GLU 13 3.342 -21.051 4.667 1.00 39.32 ATOM 198 HB2 GLU 13 1.672 -21.518 4.398 1.00 73.11 ATOM 199 CG GLU 13 2.379 -21.964 6.344 1.00 70.34 ATOM 200 HG1 GLU 13 2.218 -22.986 6.033 1.00 39.32 ATOM 201 HG2 GLU 13 1.585 -21.670 7.018 1.00 63.32 ATOM 202 CD GLU 13 3.698 -21.895 7.088 1.00 63.30 ATOM 203 OE1 GLU 13 4.753 -21.838 6.423 1.00 43.34 ATOM 204 OE2 GLU 13 3.675 -21.899 8.337 1.00 40.43 ATOM 205 C GLU 13 2.737 -19.044 6.516 1.00 55.24 ATOM 206 O GLU 13 2.310 -19.006 7.669 1.00 30.11 ATOM 207 N GLU 14 3.931 -18.575 6.169 1.00 2.21 ATOM 208 HN GLU 14 4.223 -18.634 5.228 1.00 39.32 ATOM 209 CA GLU 14 4.830 -17.976 7.149 1.00 33.01 ATOM 210 HA GLU 14 4.867 -18.643 8.003 1.00 64.21 ATOM 211 CB GLU 14 6.233 -17.819 6.559 1.00 73.40 ATOM 212 HB1 GLU 14 6.359 -16.821 6.159 1.00 39.32 ATOM 213 HB2 GLU 14 6.358 -18.529 5.752 1.00 13.03 ATOM 214 CG GLU 14 7.346 -18.071 7.562 1.00 43.24 ATOM 215 HG1 GLU 14 8.259 -17.634 7.185 1.00 39.32 ATOM 216 HG2 GLU 14 7.475 -19.131 7.670 1.00 74.42 ATOM 217 CD GLU 14 7.050 -17.476 8.924 1.00 14.34 ATOM 218 OE1 GLU 14 6.913 -16.237 9.013 1.00 31.43 ATOM 219 OE2 GLU 14 6.954 -18.247 9.901 1.00 24.35 ATOM 220 C GLU 14 4.305 -16.619 7.610 1.00 24.00 ATOM 221 O GLU 14 4.187 -16.362 8.808 1.00 41.34 ATOM 222 N ALA 15 3.994 -15.755 6.650 1.00 54.41 ATOM 223 HN ALA 15 4.116 -16.018 5.706 1.00 39.32 ATOM 224 CA ALA 15 3.481 -14.425 6.956 1.00 11.01 ATOM 225 HA ALA 15 4.259 -13.875 7.467 1.00 4.40 ATOM 226 CB ALA 15 3.143 -13.681 5.673 1.00 44.14 ATOM 227 HB1 ALA 15 2.819 -12.677 5.909 1.00 0.14 ATOM 228 HB2 ALA 15 2.354 -14.201 5.147 1.00 34.21 ATOM 229 HB3 ALA 15 4.021 -13.635 5.045 1.00 3.42 ATOM 230 C ALA 15 2.257 -14.504 7.862 1.00 55.23 ATOM 231 O ALA 15 2.184 -13.821 8.884 1.00 73.23 ATOM 232 N ARG 16 1.297 -15.340 7.480 1.00 54.33 ATOM 233 HN ARG 16 1.414 -15.865 6.652 1.00 39.32 ATOM 234 CA ARG 16 0.074 -15.506 8.257 1.00 42.33 ATOM 235 HA ARG 16 -0.340 -14.525 8.453 1.00 20.32 ATOM 236 CB ARG 16 -0.951 -16.321 7.467 1.00 62.44 ATOM 237 HB1 ARG 16 -0.977 -15.964 6.448 1.00 39.32 ATOM 238 HB2 ARG 16 -1.912 -16.164 7.923 1.00 30.33 ATOM 239 CG ARG 16 -0.665 -17.814 7.458 1.00 62.25 ATOM 240 HG1 ARG 16 -0.779 -18.208 8.458 1.00 39.32 ATOM 241 HG2 ARG 16 0.335 -17.975 7.126 1.00 22.35 ATOM 242 CD ARG 16 -1.615 -18.558 6.532 1.00 13.13 ATOM 243 HD1 ARG 16 -1.066 -19.360 6.071 1.00 39.32 ATOM 244 HD2 ARG 16 -1.975 -17.904 5.749 1.00 14.12 ATOM 245 NE ARG 16 -2.735 -19.150 7.259 1.00 13.20 ATOM 246 HE ARG 16 -2.634 -20.079 7.564 1.00 65.53 ATOM 247 CZ ARG 16 -3.864 -18.502 7.523 1.00 14.03 ATOM 248 NH1 ARG 16 -4.023 -17.248 7.122 1.00 22.22 ATOM 249 HH11 ARG 16 -3.330 -16.768 6.608 1.00 50.00 ATOM 250 HH12 ARG 16 -4.874 -16.767 7.345 1.00 25.05 ATOM 251 NH2 ARG 16 -4.838 -19.109 8.190 1.00 54.42 ATOM 252 HH21 ARG 16 -4.721 -20.037 8.481 1.00 43.25 ATOM 253 HH22 ARG 16 -5.680 -18.616 8.410 1.00 25.33 ATOM 254 C ARG 16 0.366 -16.189 9.589 1.00 32.15 ATOM 255 O ARG 16 -0.288 -15.915 10.596 1.00 15.24 ATOM 256 N LEU 17 1.351 -17.080 9.588 1.00 20.23 ATOM 257 HN LEU 17 1.831 -17.276 8.750 1.00 39.32 ATOM 258 CA LEU 17 1.730 -17.804 10.797 1.00 14.21 ATOM 259 HA LEU 17 0.863 -18.348 11.147 1.00 71.30 ATOM 260 CB LEU 17 2.848 -18.801 10.489 1.00 73.21 ATOM 261 HB1 LEU 17 3.546 -18.342 9.811 1.00 39.32 ATOM 262 HB2 LEU 17 2.397 -19.647 9.991 1.00 61.04 ATOM 263 CG LEU 17 3.629 -19.327 11.694 1.00 41.24 ATOM 264 HG LEU 17 4.191 -18.519 12.131 1.00 51.11 ATOM 265 CD1 LEU 17 2.679 -19.866 12.752 1.00 4.31 ATOM 266 HD11 LEU 17 3.015 -20.832 13.072 1.00 61.45 ATOM 267 HD12 LEU 17 1.672 -19.962 12.369 1.00 53.43 ATOM 268 HD13 LEU 17 2.677 -19.205 13.602 1.00 22.43 ATOM 269 CD2 LEU 17 4.615 -20.402 11.262 1.00 61.53 ATOM 270 HD21 LEU 17 4.110 -21.128 10.647 1.00 31.41 ATOM 271 HD22 LEU 17 5.034 -20.897 12.127 1.00 4.11 ATOM 272 HD23 LEU 17 5.410 -19.949 10.694 1.00 63.45 ATOM 273 C LEU 17 2.179 -16.840 11.890 1.00 24.04 ATOM 274 O LEU 17 1.942 -17.075 13.075 1.00 20.33 ATOM 275 N ASP 18 2.828 -15.754 11.484 1.00 32.13 ATOM 276 HN ASP 18 3.012 -15.625 10.524 1.00 39.32 ATOM 277 CA ASP 18 3.308 -14.752 12.429 1.00 60.21 ATOM 278 HA ASP 18 4.044 -15.228 13.064 1.00 55.21 ATOM 279 CB ASP 18 3.962 -13.588 11.682 1.00 32.44 ATOM 280 HB1 ASP 18 3.200 -12.979 11.212 1.00 39.32 ATOM 281 HB2 ASP 18 4.615 -13.984 10.918 1.00 75.55 ATOM 282 CG ASP 18 4.790 -12.707 12.596 1.00 10.42 ATOM 283 OD1 ASP 18 5.411 -13.244 13.537 1.00 63.41 ATOM 284 OD2 ASP 18 4.818 -11.479 12.370 1.00 15.02 ATOM 285 C ASP 18 2.167 -14.237 13.301 1.00 4.20 ATOM 286 O ASP 18 2.373 -13.881 14.462 1.00 52.22 ATOM 287 N ILE 19 0.966 -14.199 12.734 1.00 45.22 ATOM 288 HN ILE 19 0.859 -14.498 11.805 1.00 39.32 ATOM 289 CA ILE 19 -0.206 -13.727 13.460 1.00 51.12 ATOM 290 HA ILE 19 -0.005 -12.719 13.805 1.00 41.04 ATOM 291 CB ILE 19 -1.451 -13.690 12.554 1.00 15.35 ATOM 292 HB ILE 19 -1.663 -14.695 12.237 1.00 73.03 ATOM 293 CG1 ILE 19 -1.187 -12.823 11.322 1.00 51.41 ATOM 294 HG11 ILE 19 -0.244 -13.090 10.871 1.00 39.32 ATOM 295 HG12 ILE 19 -1.149 -11.783 11.612 1.00 33.52 ATOM 296 CG2 ILE 19 -2.653 -13.168 13.328 1.00 72.00 ATOM 297 HG21 ILE 19 -2.941 -13.889 14.067 1.00 42.04 ATOM 298 HG22 ILE 19 -3.487 -13.009 12.660 1.00 31.11 ATOM 299 HG23 ILE 19 -2.403 -12.234 13.814 1.00 43.52 ATOM 300 CD1 ILE 19 -2.243 -12.961 10.248 1.00 71.22 ATOM 301 HD11 ILE 19 -3.173 -12.539 10.596 1.00 15.00 ATOM 302 HD12 ILE 19 -2.387 -14.006 10.010 1.00 43.11 ATOM 303 HD13 ILE 19 -1.922 -12.434 9.362 1.00 72.24 ATOM 304 C ILE 19 -0.496 -14.610 14.669 1.00 54.14 ATOM 305 O ILE 19 -0.845 -14.117 15.742 1.00 14.21 ATOM 306 N LEU 20 -0.348 -15.918 14.488 1.00 14.31 ATOM 307 HN LEU 20 -0.074 -16.259 13.604 1.00 39.32 ATOM 308 CA LEU 20 -0.593 -16.871 15.565 1.00 63.11 ATOM 309 HA LEU 20 -1.566 -16.667 15.982 1.00 11.15 ATOM 310 CB LEU 20 -0.576 -18.301 15.020 1.00 3.45 ATOM 311 HB1 LEU 20 -0.469 -18.969 15.860 1.00 39.32 ATOM 312 HB2 LEU 20 0.307 -18.409 14.403 1.00 22.14 ATOM 313 CG LEU 20 -1.808 -18.730 14.223 1.00 45.33 ATOM 314 HG LEU 20 -2.543 -17.951 14.263 1.00 1.52 ATOM 315 CD1 LEU 20 -1.443 -18.969 12.766 1.00 71.42 ATOM 316 HD11 LEU 20 -1.030 -18.064 12.343 1.00 33.22 ATOM 317 HD12 LEU 20 -2.328 -19.248 12.211 1.00 1.42 ATOM 318 HD13 LEU 20 -0.712 -19.763 12.698 1.00 43.42 ATOM 319 CD2 LEU 20 -2.429 -19.978 14.831 1.00 23.54 ATOM 320 HD21 LEU 20 -1.717 -20.792 14.803 1.00 64.03 ATOM 321 HD22 LEU 20 -3.312 -20.254 14.271 1.00 73.33 ATOM 322 HD23 LEU 20 -2.708 -19.781 15.857 1.00 55.24 ATOM 323 C LEU 20 0.448 -16.723 16.670 1.00 63.21 ATOM 324 O LEU 20 0.163 -16.962 17.843 1.00 34.33 ATOM 325 N LYS 21 1.657 -16.325 16.287 1.00 30.44 ATOM 326 HN LYS 21 1.838 -16.158 15.333 1.00 39.32 ATOM 327 CA LYS 21 2.741 -16.141 17.245 1.00 60.40 ATOM 328 HA LYS 21 2.775 -17.008 17.895 1.00 54.42 ATOM 329 CB LYS 21 4.080 -16.019 16.514 1.00 52.13 ATOM 330 HB1 LYS 21 4.846 -15.714 17.217 1.00 39.32 ATOM 331 HB2 LYS 21 3.984 -15.259 15.751 1.00 24.33 ATOM 332 CG LYS 21 4.536 -17.312 15.860 1.00 3.22 ATOM 333 HG1 LYS 21 3.714 -17.748 15.307 1.00 39.32 ATOM 334 HG2 LYS 21 4.845 -17.981 16.644 1.00 13.44 ATOM 335 CD LYS 21 5.703 -17.077 14.915 1.00 21.45 ATOM 336 HD1 LYS 21 6.314 -16.262 15.284 1.00 39.32 ATOM 337 HD2 LYS 21 5.317 -16.820 13.940 1.00 41.34 ATOM 338 CE LYS 21 6.578 -18.315 14.793 1.00 62.45 ATOM 339 HE1 LYS 21 6.580 -18.865 15.726 1.00 39.32 ATOM 340 HE2 LYS 21 7.586 -17.996 14.572 1.00 24.25 ATOM 341 NZ LYS 21 6.117 -19.214 13.699 1.00 73.42 ATOM 342 HZ1 LYS 21 5.149 -19.534 13.885 1.00 65.12 ATOM 343 HZ2 LYS 21 6.737 -20.048 13.642 1.00 51.42 ATOM 344 HZ3 LYS 21 6.148 -18.715 12.788 1.00 10.12 ATOM 345 C LYS 21 2.504 -14.903 18.104 1.00 71.40 ATOM 346 O LYS 21 2.684 -14.938 19.322 1.00 54.03 ATOM 347 N ILE 22 2.099 -13.813 17.463 1.00 54.44 ATOM 348 HN ILE 22 1.958 -13.851 16.488 1.00 39.32 ATOM 349 CA ILE 22 1.835 -12.565 18.169 1.00 34.31 ATOM 350 HA ILE 22 2.722 -12.297 18.721 1.00 33.33 ATOM 351 CB ILE 22 1.510 -11.422 17.190 1.00 13.31 ATOM 352 HB ILE 22 0.620 -11.695 16.637 1.00 11.53 ATOM 353 CG1 ILE 22 2.668 -11.214 16.212 1.00 73.12 ATOM 354 HG11 ILE 22 3.064 -12.159 15.888 1.00 39.32 ATOM 355 HG12 ILE 22 3.460 -10.663 16.702 1.00 5.54 ATOM 356 CG2 ILE 22 1.217 -10.138 17.953 1.00 22.42 ATOM 357 HG21 ILE 22 2.025 -9.926 18.640 1.00 5.02 ATOM 358 HG22 ILE 22 0.293 -10.237 18.502 1.00 14.44 ATOM 359 HG23 ILE 22 1.119 -9.315 17.258 1.00 41.23 ATOM 360 CD1 ILE 22 2.279 -10.441 14.971 1.00 3.42 ATOM 361 HD11 ILE 22 1.963 -9.447 15.248 1.00 25.05 ATOM 362 HD12 ILE 22 1.470 -10.949 14.467 1.00 63.44 ATOM 363 HD13 ILE 22 3.129 -10.375 14.308 1.00 1.22 ATOM 364 C ILE 22 0.678 -12.724 19.150 1.00 1.43 ATOM 365 O ILE 22 0.740 -12.243 20.282 1.00 12.33 ATOM 366 N HIS 23 -0.376 -13.403 18.709 1.00 13.54 ATOM 367 HN HIS 23 -0.374 -13.761 17.789 1.00 39.32 ATOM 368 CA HIS 23 -1.547 -13.627 19.550 1.00 51.12 ATOM 369 HA HIS 23 -1.861 -12.673 19.956 1.00 1.11 ATOM 370 CB HIS 23 -2.687 -14.224 18.724 1.00 51.41 ATOM 371 HB1 HIS 23 -3.409 -14.695 19.380 1.00 39.32 ATOM 372 HB2 HIS 23 -2.276 -14.965 18.059 1.00 14.42 ATOM 373 CG HIS 23 -3.421 -13.213 17.898 1.00 52.40 ATOM 374 ND1 HIS 23 -3.817 -11.985 18.387 1.00 63.41 ATOM 375 HD1 HIS 23 -3.670 -11.656 19.298 1.00 25.41 ATOM 376 CD2 HIS 23 -3.830 -13.252 16.608 1.00 11.43 ATOM 377 HD2 HIS 23 -3.680 -14.057 15.916 1.00 33.44 ATOM 378 CE1 HIS 23 -4.439 -11.314 17.434 1.00 5.02 ATOM 379 HE1 HIS 23 -4.858 -10.323 17.529 1.00 1.41 ATOM 380 NE2 HIS 23 -4.460 -12.060 16.344 1.00 23.15 ATOM 381 HE2 HIS 23 -4.942 -11.842 15.519 1.00 39.32 ATOM 382 C HIS 23 -1.210 -14.551 20.716 1.00 62.43 ATOM 383 O HIS 23 -1.837 -14.487 21.773 1.00 73.42 ATOM 384 N SER 24 -0.216 -15.411 20.515 1.00 3.51 ATOM 385 HN SER 24 0.255 -15.426 19.650 1.00 39.32 ATOM 386 CA SER 24 0.202 -16.351 21.548 1.00 32.40 ATOM 387 HA SER 24 -0.666 -16.636 22.131 1.00 42.13 ATOM 388 CB SER 24 0.791 -17.612 20.912 1.00 42.43 ATOM 389 HB1 SER 24 0.273 -17.837 19.997 1.00 39.32 ATOM 390 HB2 SER 24 0.665 -18.429 21.591 1.00 13.11 ATOM 391 OG SER 24 2.171 -17.446 20.635 1.00 40.40 ATOM 392 HG SER 24 2.491 -18.202 20.137 1.00 60.34 ATOM 393 C SER 24 1.225 -15.713 22.482 1.00 23.34 ATOM 394 O SER 24 1.351 -16.104 23.643 1.00 14.11 ATOM 395 N ARG 25 1.955 -14.729 21.967 1.00 70.40 ATOM 396 HN ARG 25 1.833 -14.469 21.025 1.00 39.32 ATOM 397 CA ARG 25 2.969 -14.037 22.754 1.00 73.34 ATOM 398 HA ARG 25 3.741 -14.753 23.006 1.00 1.43 ATOM 399 CB ARG 25 3.579 -12.892 21.944 1.00 42.03 ATOM 400 HB1 ARG 25 3.883 -12.095 22.612 1.00 39.32 ATOM 401 HB2 ARG 25 2.837 -12.505 21.267 1.00 41.22 ATOM 402 CG ARG 25 4.801 -13.300 21.137 1.00 20.21 ATOM 403 HG1 ARG 25 4.572 -14.182 20.561 1.00 39.32 ATOM 404 HG2 ARG 25 5.610 -13.520 21.818 1.00 62.54 ATOM 405 CD ARG 25 5.239 -12.194 20.190 1.00 15.42 ATOM 406 HD1 ARG 25 4.369 -11.700 19.782 1.00 39.32 ATOM 407 HD2 ARG 25 5.805 -12.637 19.384 1.00 24.50 ATOM 408 NE ARG 25 6.077 -11.202 20.858 1.00 50.42 ATOM 409 HE ARG 25 6.328 -11.366 21.797 1.00 12.34 ATOM 410 CZ ARG 25 6.519 -10.097 20.268 1.00 2.51 ATOM 411 NH1 ARG 25 6.204 -9.844 19.005 1.00 2.53 ATOM 412 HH11 ARG 25 5.635 -10.471 18.475 1.00 32.45 ATOM 413 HH12 ARG 25 6.541 -9.007 18.568 1.00 75.11 ATOM 414 NH2 ARG 25 7.278 -9.242 20.942 1.00 50.41 ATOM 415 HH21 ARG 25 7.520 -9.427 21.897 1.00 4.21 ATOM 416 HH22 ARG 25 7.613 -8.408 20.499 1.00 4.52 ATOM 417 C ARG 25 2.375 -13.497 24.051 1.00 12.21 ATOM 418 O ARG 25 3.073 -13.358 25.056 1.00 52.32 ATOM 419 N LYS 26 1.082 -13.193 24.022 1.00 34.03 ATOM 420 HN LYS 26 0.572 -13.280 23.186 1.00 39.32 ATOM 421 CA LYS 26 0.392 -12.668 25.195 1.00 21.41 ATOM 422 HA LYS 26 1.102 -12.112 25.799 1.00 60.23 ATOM 423 CB LYS 26 -0.738 -11.729 24.770 1.00 54.24 ATOM 424 HB1 LYS 26 -1.485 -11.693 25.557 1.00 39.32 ATOM 425 HB2 LYS 26 -1.200 -12.115 23.872 1.00 51.04 ATOM 426 CG LYS 26 -0.277 -10.308 24.493 1.00 32.34 ATOM 427 HG1 LYS 26 0.268 -10.296 23.559 1.00 39.32 ATOM 428 HG2 LYS 26 0.372 -9.982 25.296 1.00 3.44 ATOM 429 CD LYS 26 -1.452 -9.350 24.395 1.00 51.23 ATOM 430 HD1 LYS 26 -1.985 -9.349 25.335 1.00 39.32 ATOM 431 HD2 LYS 26 -2.112 -9.678 23.605 1.00 72.43 ATOM 432 CE LYS 26 -0.991 -7.932 24.091 1.00 31.42 ATOM 433 HE1 LYS 26 -0.127 -7.692 24.698 1.00 39.32 ATOM 434 HE2 LYS 26 -1.794 -7.252 24.334 1.00 41.54 ATOM 435 NZ LYS 26 -0.640 -7.759 22.654 1.00 23.14 ATOM 436 HZ1 LYS 26 -0.330 -6.781 22.480 1.00 33.43 ATOM 437 HZ2 LYS 26 -1.466 -7.958 22.053 1.00 25.32 ATOM 438 HZ3 LYS 26 0.132 -8.406 22.389 1.00 73.34 ATOM 439 C LYS 26 -0.168 -13.801 26.049 1.00 74.42 ATOM 440 O LYS 26 -0.323 -13.659 27.261 1.00 21.23 ATOM 441 N MET 27 -0.470 -14.926 25.408 1.00 43.13 ATOM 442 HN MET 27 -0.361 -14.981 24.439 1.00 39.32 ATOM 443 CA MET 27 -1.010 -16.084 26.110 1.00 74.11 ATOM 444 HA MET 27 -1.472 -15.755 27.034 1.00 3.53 ATOM 445 CB MET 27 -2.081 -16.770 25.258 1.00 3.34 ATOM 446 HB1 MET 27 -2.464 -17.624 25.800 1.00 39.32 ATOM 447 HB2 MET 27 -1.626 -17.112 24.338 1.00 21.35 ATOM 448 CG MET 27 -3.245 -15.861 24.899 1.00 70.24 ATOM 449 HG1 MET 27 -2.950 -15.231 24.073 1.00 39.32 ATOM 450 HG2 MET 27 -3.492 -15.242 25.752 1.00 54.13 ATOM 451 SD MET 27 -4.721 -16.780 24.422 1.00 74.01 ATOM 452 CE MET 27 -4.015 -18.013 23.331 1.00 34.15 ATOM 453 HE1 MET 27 -3.471 -18.742 23.913 1.00 40.21 ATOM 454 HE2 MET 27 -3.342 -17.534 22.635 1.00 63.04 ATOM 455 HE3 MET 27 -4.806 -18.506 22.786 1.00 42.35 ATOM 456 C MET 27 0.096 -17.077 26.454 1.00 54.35 ATOM 457 O MET 27 1.263 -16.855 26.133 1.00 35.13 ATOM 458 N ASN 28 -0.280 -18.171 27.107 1.00 22.34 ATOM 459 HN ASN 28 -1.227 -18.298 27.347 1.00 39.32 ATOM 460 CA ASN 28 0.681 -19.197 27.495 1.00 23.41 ATOM 461 HA ASN 28 1.677 -18.764 27.502 1.00 43.00 ATOM 462 CB ASN 28 0.370 -19.711 28.902 1.00 25.23 ATOM 463 HB1 ASN 28 1.022 -20.543 29.138 1.00 39.32 ATOM 464 HB2 ASN 28 -0.655 -20.042 28.935 1.00 31.10 ATOM 465 CG ASN 28 0.562 -18.644 29.963 1.00 64.32 ATOM 466 OD1 ASN 28 1.088 -17.566 29.686 1.00 21.04 ATOM 467 ND2 ASN 28 0.136 -18.942 31.185 1.00 51.42 ATOM 468 HD21 ASN 28 -0.270 -19.818 31.337 1.00 70.21 ATOM 469 HD22 ASN 28 0.247 -18.269 31.888 1.00 11.35 ATOM 470 C ASN 28 0.668 -20.357 26.504 1.00 64.12 ATOM 471 O ASN 28 -0.348 -20.630 25.864 1.00 51.03 ATOM 472 N LEU 29 1.803 -21.037 26.382 1.00 2.22 ATOM 473 HN LEU 29 2.591 -20.765 26.910 1.00 39.32 ATOM 474 CA LEU 29 1.923 -22.168 25.469 1.00 23.44 ATOM 475 HA LEU 29 0.946 -22.600 25.326 1.00 2.54 ATOM 476 CB LEU 29 2.452 -21.700 24.112 1.00 21.44 ATOM 477 HB1 LEU 29 2.299 -22.497 23.396 1.00 39.32 ATOM 478 HB2 LEU 29 3.522 -21.541 24.213 1.00 33.15 ATOM 479 CG LEU 29 1.833 -20.418 23.557 1.00 53.51 ATOM 480 HG LEU 29 1.793 -19.664 24.321 1.00 34.14 ATOM 481 CD1 LEU 29 2.691 -19.853 22.435 1.00 13.35 ATOM 482 HD11 LEU 29 3.721 -20.167 22.551 1.00 32.15 ATOM 483 HD12 LEU 29 2.659 -18.781 22.488 1.00 5.44 ATOM 484 HD13 LEU 29 2.329 -20.177 21.467 1.00 54.41 ATOM 485 CD2 LEU 29 0.416 -20.678 23.067 1.00 33.12 ATOM 486 HD21 LEU 29 -0.049 -21.444 23.658 1.00 63.25 ATOM 487 HD22 LEU 29 0.438 -20.998 22.037 1.00 63.13 ATOM 488 HD23 LEU 29 -0.161 -19.768 23.146 1.00 23.45 ATOM 489 C LEU 29 2.846 -23.238 26.046 1.00 14.31 ATOM 490 O LEU 29 3.668 -22.959 26.919 1.00 22.23 ATOM 491 N THR 30 2.705 -24.463 25.551 1.00 71.34 ATOM 492 HN THR 30 2.027 -24.626 24.852 1.00 39.32 ATOM 493 CA THR 30 3.526 -25.574 26.015 1.00 35.52 ATOM 494 HA THR 30 3.317 -25.732 27.064 1.00 71.14 ATOM 495 CB THR 30 3.192 -26.874 25.258 1.00 3.03 ATOM 496 HB THR 30 2.119 -27.005 25.254 1.00 13.02 ATOM 497 OG1 THR 30 3.799 -27.993 25.915 1.00 52.31 ATOM 498 HG1 THR 30 3.260 -28.258 26.665 1.00 55.42 ATOM 499 CG2 THR 30 3.677 -26.801 23.818 1.00 2.22 ATOM 500 HG21 THR 30 2.922 -27.222 23.170 1.00 64.44 ATOM 501 HG22 THR 30 4.588 -27.372 23.714 1.00 40.52 ATOM 502 HG23 THR 30 3.864 -25.783 23.529 1.00 33.43 ATOM 503 C THR 30 5.010 -25.269 25.849 1.00 73.12 ATOM 504 O THR 30 5.383 -24.201 25.362 1.00 34.44 ATOM 505 N ARG 31 5.852 -26.213 26.255 1.00 64.22 ATOM 506 HN ARG 31 5.499 -27.053 26.635 1.00 39.32 ATOM 507 CA ARG 31 7.297 -26.044 26.151 1.00 72.12 ATOM 508 HA ARG 31 7.530 -24.984 26.137 1.00 23.14 ATOM 509 CB ARG 31 7.994 -26.682 27.354 1.00 43.42 ATOM 510 HB1 ARG 31 9.050 -26.803 27.139 1.00 39.32 ATOM 511 HB2 ARG 31 7.561 -27.656 27.533 1.00 44.20 ATOM 512 CG ARG 31 7.876 -25.864 28.630 1.00 64.22 ATOM 513 HG1 ARG 31 6.832 -25.776 28.893 1.00 39.32 ATOM 514 HG2 ARG 31 8.289 -24.881 28.458 1.00 63.31 ATOM 515 CD ARG 31 8.621 -26.520 29.782 1.00 32.13 ATOM 516 HD1 ARG 31 8.438 -27.588 29.771 1.00 39.32 ATOM 517 HD2 ARG 31 8.247 -26.107 30.708 1.00 14.44 ATOM 518 NE ARG 31 10.060 -26.279 29.712 1.00 34.41 ATOM 519 HE ARG 31 10.399 -25.712 28.980 1.00 24.21 ATOM 520 CZ ARG 31 10.932 -26.781 30.580 1.00 53.43 ATOM 521 NH1 ARG 31 10.513 -27.546 31.578 1.00 23.20 ATOM 522 HH11 ARG 31 9.544 -27.759 31.698 1.00 1.21 ATOM 523 HH12 ARG 31 11.177 -27.921 32.228 1.00 22.43 ATOM 524 NH2 ARG 31 12.225 -26.516 30.449 1.00 25.54 ATOM 525 HH21 ARG 31 12.547 -25.938 29.697 1.00 54.21 ATOM 526 HH22 ARG 31 12.886 -26.893 31.102 1.00 51.22 ATOM 527 C ARG 31 7.824 -26.660 24.858 1.00 5.32 ATOM 528 O ARG 31 8.901 -27.255 24.836 1.00 31.13 ATOM 529 N GLY 32 7.058 -26.512 23.782 1.00 73.01 ATOM 530 HN GLY 32 6.246 -25.993 23.844 1.00 39.32 ATOM 531 CA GLY 32 7.464 -27.059 22.501 1.00 60.22 ATOM 532 HA1 GLY 32 7.774 -28.089 22.631 1.00 39.32 ATOM 533 HA2 GLY 32 8.302 -26.488 22.128 1.00 31.42 ATOM 534 C GLY 32 6.350 -27.018 21.473 1.00 24.12 ATOM 535 O GLY 32 6.223 -27.925 20.650 1.00 35.23 ATOM 536 N ILE 33 5.542 -25.965 21.521 1.00 10.31 ATOM 537 HN ILE 33 5.713 -25.246 22.167 1.00 39.32 ATOM 538 CA ILE 33 4.433 -25.810 20.587 1.00 24.14 ATOM 539 HA ILE 33 3.879 -26.745 20.571 1.00 34.14 ATOM 540 CB ILE 33 3.475 -24.690 21.032 1.00 34.05 ATOM 541 HB ILE 33 3.226 -24.832 22.061 1.00 12.43 ATOM 542 CG1 ILE 33 2.188 -24.732 20.206 1.00 35.42 ATOM 543 HG11 ILE 33 1.708 -25.684 20.349 1.00 39.32 ATOM 544 HG12 ILE 33 2.414 -24.599 19.161 1.00 71.23 ATOM 545 CG2 ILE 33 4.149 -23.333 20.903 1.00 43.42 ATOM 546 HG21 ILE 33 3.566 -22.597 21.436 1.00 13.13 ATOM 547 HG22 ILE 33 4.217 -23.041 19.863 1.00 4.35 ATOM 548 HG23 ILE 33 5.142 -23.367 21.329 1.00 4.22 ATOM 549 CD1 ILE 33 1.190 -23.660 20.586 1.00 63.23 ATOM 550 HD11 ILE 33 0.938 -23.751 21.632 1.00 33.14 ATOM 551 HD12 ILE 33 0.310 -23.792 19.991 1.00 1.31 ATOM 552 HD13 ILE 33 1.605 -22.682 20.395 1.00 34.03 ATOM 553 C ILE 33 4.938 -25.503 19.181 1.00 33.44 ATOM 554 O ILE 33 5.932 -24.801 19.007 1.00 3.34 ATOM 555 N ASN 34 4.243 -26.034 18.181 1.00 72.45 ATOM 556 HN ASN 34 3.455 -26.593 18.374 1.00 39.32 ATOM 557 CA ASN 34 4.619 -25.816 16.789 1.00 63.45 ATOM 558 HA ASN 34 5.467 -25.138 16.757 1.00 25.43 ATOM 559 CB ASN 34 5.020 -27.140 16.134 1.00 41.24 ATOM 560 HB1 ASN 34 4.180 -27.588 15.637 1.00 39.32 ATOM 561 HB2 ASN 34 5.371 -27.820 16.898 1.00 64.15 ATOM 562 CG ASN 34 6.140 -26.970 15.126 1.00 65.13 ATOM 563 OD1 ASN 34 7.271 -26.644 15.487 1.00 42.10 ATOM 564 ND2 ASN 34 5.830 -27.191 13.854 1.00 62.34 ATOM 565 HD21 ASN 34 4.912 -27.451 13.621 1.00 12.13 ATOM 566 HD22 ASN 34 6.541 -27.084 13.188 1.00 34.41 ATOM 567 C ASN 34 3.474 -25.177 16.009 1.00 3.41 ATOM 568 O ASN 34 2.615 -25.871 15.464 1.00 23.11 ATOM 569 N LEU 35 3.469 -23.849 15.960 1.00 72.12 ATOM 570 HN LEU 35 4.191 -23.347 16.410 1.00 39.32 ATOM 571 CA LEU 35 2.430 -23.114 15.246 1.00 31.34 ATOM 572 HA LEU 35 1.477 -23.460 15.592 1.00 34.34 ATOM 573 CB LEU 35 2.533 -21.619 15.553 1.00 63.23 ATOM 574 HB1 LEU 35 1.739 -21.106 15.023 1.00 39.32 ATOM 575 HB2 LEU 35 3.481 -21.273 15.153 1.00 41.42 ATOM 576 CG LEU 35 2.467 -21.231 17.030 1.00 4.32 ATOM 577 HG LEU 35 2.927 -22.002 17.632 1.00 54.31 ATOM 578 CD1 LEU 35 3.235 -19.941 17.278 1.00 60.42 ATOM 579 HD11 LEU 35 4.255 -20.053 16.936 1.00 24.41 ATOM 580 HD12 LEU 35 3.236 -19.719 18.336 1.00 63.52 ATOM 581 HD13 LEU 35 2.761 -19.132 16.743 1.00 73.41 ATOM 582 CD2 LEU 35 1.021 -21.087 17.480 1.00 72.02 ATOM 583 HD21 LEU 35 0.544 -20.303 16.923 1.00 31.42 ATOM 584 HD22 LEU 35 0.991 -20.847 18.534 1.00 54.31 ATOM 585 HD23 LEU 35 0.495 -22.017 17.313 1.00 71.42 ATOM 586 C LEU 35 2.535 -23.345 13.742 1.00 32.33 ATOM 587 O LEU 35 1.546 -23.235 13.017 1.00 21.40 ATOM 588 N ARG 36 3.739 -23.668 13.281 1.00 52.31 ATOM 589 HN ARG 36 4.504 -23.719 13.899 1.00 39.32 ATOM 590 CA ARG 36 3.973 -23.915 11.863 1.00 35.43 ATOM 591 HA ARG 36 3.770 -23.008 11.327 1.00 70.02 ATOM 592 CB ARG 36 5.429 -24.320 11.628 1.00 71.11 ATOM 593 HB1 ARG 36 5.622 -25.242 12.158 1.00 39.32 ATOM 594 HB2 ARG 36 6.074 -23.552 12.035 1.00 2.12 ATOM 595 CG ARG 36 5.771 -24.540 10.163 1.00 12.03 ATOM 596 HG1 ARG 36 4.911 -24.895 9.615 1.00 39.32 ATOM 597 HG2 ARG 36 6.554 -25.281 10.105 1.00 2.41 ATOM 598 CD ARG 36 6.274 -23.262 9.511 1.00 65.01 ATOM 599 HD1 ARG 36 5.601 -22.452 9.741 1.00 39.32 ATOM 600 HD2 ARG 36 6.282 -23.425 8.443 1.00 34.22 ATOM 601 NE ARG 36 7.619 -22.912 9.960 1.00 44.33 ATOM 602 HE ARG 36 7.940 -23.306 10.805 1.00 54.44 ATOM 603 CZ ARG 36 8.425 -22.090 9.296 1.00 13.41 ATOM 604 NH1 ARG 36 8.023 -21.536 8.160 1.00 13.04 ATOM 605 HH11 ARG 36 7.118 -21.711 7.782 1.00 0.15 ATOM 606 HH12 ARG 36 8.647 -20.933 7.660 1.00 34.33 ATOM 607 NH2 ARG 36 9.635 -21.820 9.769 1.00 52.53 ATOM 608 HH21 ARG 36 9.944 -22.235 10.627 1.00 42.13 ATOM 609 HH22 ARG 36 10.245 -21.201 9.270 1.00 60.03 ATOM 610 C ARG 36 3.040 -25.004 11.341 1.00 70.24 ATOM 611 O ARG 36 2.488 -24.892 10.246 1.00 43.43 ATOM 612 N LYS 37 2.869 -26.059 12.131 1.00 52.33 ATOM 613 HN LYS 37 3.335 -26.096 12.999 1.00 39.32 ATOM 614 CA LYS 37 2.003 -27.168 11.750 1.00 60.33 ATOM 615 HA LYS 37 2.255 -27.466 10.740 1.00 23.24 ATOM 616 CB LYS 37 2.228 -28.361 12.682 1.00 52.11 ATOM 617 HB1 LYS 37 2.157 -28.023 13.707 1.00 39.32 ATOM 618 HB2 LYS 37 3.226 -28.741 12.512 1.00 45.22 ATOM 619 CG LYS 37 1.249 -29.501 12.458 1.00 44.11 ATOM 620 HG1 LYS 37 1.768 -30.437 12.617 1.00 39.32 ATOM 621 HG2 LYS 37 0.884 -29.472 11.438 1.00 62.30 ATOM 622 CD LYS 37 0.061 -29.409 13.401 1.00 62.24 ATOM 623 HD1 LYS 37 -0.805 -29.798 12.895 1.00 39.32 ATOM 624 HD2 LYS 37 -0.124 -28.383 13.683 1.00 22.21 ATOM 625 CE LYS 37 0.292 -30.217 14.668 1.00 33.53 ATOM 626 HE1 LYS 37 -0.219 -29.722 15.477 1.00 39.32 ATOM 627 HE2 LYS 37 1.348 -30.274 14.885 1.00 14.15 ATOM 628 NZ LYS 37 -0.246 -31.601 14.549 1.00 22.13 ATOM 629 HZ1 LYS 37 0.219 -32.104 13.764 1.00 53.41 ATOM 630 HZ2 LYS 37 -1.272 -31.577 14.373 1.00 64.14 ATOM 631 HZ3 LYS 37 -0.072 -32.126 15.430 1.00 24.23 ATOM 632 C LYS 37 0.536 -26.751 11.785 1.00 23.13 ATOM 633 O LYS 37 -0.290 -27.290 11.048 1.00 2.10 ATOM 634 N ILE 38 0.220 -25.789 12.645 1.00 4.42 ATOM 635 HN ILE 38 0.922 -25.388 13.189 1.00 39.32 ATOM 636 CA ILE 38 -1.146 -25.298 12.774 1.00 72.31 ATOM 637 HA ILE 38 -1.792 -26.148 12.961 1.00 64.44 ATOM 638 CB ILE 38 -1.282 -24.312 13.949 1.00 31.21 ATOM 639 HB ILE 38 -0.758 -23.400 13.703 1.00 75.33 ATOM 640 CG1 ILE 38 -0.667 -24.908 15.217 1.00 42.00 ATOM 641 HG11 ILE 38 -0.794 -24.214 16.036 1.00 39.32 ATOM 642 HG12 ILE 38 0.380 -25.076 15.067 1.00 13.33 ATOM 643 CG2 ILE 38 -2.744 -23.960 14.179 1.00 53.15 ATOM 644 HG21 ILE 38 -3.133 -23.439 13.317 1.00 10.31 ATOM 645 HG22 ILE 38 -2.830 -23.314 15.041 1.00 14.34 ATOM 646 HG23 ILE 38 -3.323 -24.855 14.344 1.00 25.43 ATOM 647 CD1 ILE 38 -1.285 -26.226 15.627 1.00 73.10 ATOM 648 HD11 ILE 38 -2.225 -26.395 15.128 1.00 10.11 ATOM 649 HD12 ILE 38 -1.449 -26.224 16.694 1.00 53.03 ATOM 650 HD13 ILE 38 -0.604 -27.027 15.378 1.00 74.51 ATOM 651 C ILE 38 -1.607 -24.611 11.493 1.00 63.43 ATOM 652 O ILE 38 -2.616 -24.992 10.901 1.00 60.25 ATOM 653 N ALA 39 -0.859 -23.598 11.069 1.00 4.25 ATOM 654 HN ALA 39 -0.061 -23.338 11.590 1.00 39.32 ATOM 655 CA ALA 39 -1.188 -22.860 9.856 1.00 4.02 ATOM 656 HA ALA 39 -2.133 -22.364 10.011 1.00 10.54 ATOM 657 CB ALA 39 -0.136 -21.794 9.585 1.00 13.03 ATOM 658 HB1 ALA 39 0.822 -22.264 9.409 1.00 22.21 ATOM 659 HB2 ALA 39 -0.061 -21.140 10.441 1.00 32.44 ATOM 660 HB3 ALA 39 -0.419 -21.215 8.717 1.00 42.33 ATOM 661 C ALA 39 -1.313 -23.798 8.660 1.00 11.24 ATOM 662 O ALA 39 -2.083 -23.539 7.736 1.00 44.12 ATOM 663 N GLU 40 -0.551 -24.887 8.686 1.00 75.12 ATOM 664 HN GLU 40 0.078 -25.028 9.430 1.00 39.32 ATOM 665 CA GLU 40 -0.578 -25.862 7.602 1.00 64.11 ATOM 666 HA GLU 40 -0.329 -25.347 6.682 1.00 25.11 ATOM 667 CB GLU 40 0.447 -26.970 7.858 1.00 52.44 ATOM 668 HB1 GLU 40 0.081 -27.905 7.446 1.00 39.32 ATOM 669 HB2 GLU 40 0.584 -27.093 8.917 1.00 42.43 ATOM 670 CG GLU 40 1.807 -26.695 7.239 1.00 3.12 ATOM 671 HG1 GLU 40 2.215 -25.798 7.682 1.00 39.32 ATOM 672 HG2 GLU 40 1.683 -26.546 6.176 1.00 3.03 ATOM 673 CD GLU 40 2.787 -27.832 7.455 1.00 34.31 ATOM 674 OE1 GLU 40 3.415 -27.878 8.533 1.00 20.31 ATOM 675 OE2 GLU 40 2.924 -28.677 6.545 1.00 1.32 ATOM 676 C GLU 40 -1.970 -26.468 7.448 1.00 2.41 ATOM 677 O GLU 40 -2.336 -26.947 6.374 1.00 2.20 ATOM 678 N LEU 41 -2.742 -26.443 8.529 1.00 43.00 ATOM 679 HN LEU 41 -2.399 -26.089 9.373 1.00 39.32 ATOM 680 CA LEU 41 -4.094 -26.990 8.516 1.00 52.40 ATOM 681 HA LEU 41 -4.169 -27.730 7.728 1.00 74.41 ATOM 682 CB LEU 41 -4.401 -27.676 9.848 1.00 1.12 ATOM 683 HB1 LEU 41 -5.375 -28.145 9.773 1.00 39.32 ATOM 684 HB2 LEU 41 -4.462 -26.900 10.606 1.00 52.32 ATOM 685 CG LEU 41 -3.387 -28.721 10.314 1.00 63.21 ATOM 686 HG LEU 41 -2.387 -28.404 10.052 1.00 12.21 ATOM 687 CD1 LEU 41 -3.433 -28.873 11.826 1.00 20.13 ATOM 688 HD11 LEU 41 -2.744 -29.643 12.135 1.00 43.21 ATOM 689 HD12 LEU 41 -4.433 -29.146 12.135 1.00 30.54 ATOM 690 HD13 LEU 41 -3.156 -27.938 12.291 1.00 4.44 ATOM 691 CD2 LEU 41 -3.647 -30.057 9.634 1.00 72.25 ATOM 692 HD21 LEU 41 -2.908 -30.778 9.956 1.00 31.31 ATOM 693 HD22 LEU 41 -3.582 -29.936 8.561 1.00 12.12 ATOM 694 HD23 LEU 41 -4.634 -30.414 9.895 1.00 42.22 ATOM 695 C LEU 41 -5.121 -25.895 8.247 1.00 54.35 ATOM 696 O LEU 41 -6.286 -26.016 8.626 1.00 41.21 ATOM 697 N MET 42 -4.682 -24.828 7.588 1.00 51.55 ATOM 698 HN MET 42 -3.753 -24.761 7.306 1.00 39.32 ATOM 699 CA MET 42 -5.565 -23.713 7.264 1.00 1.32 ATOM 700 HA MET 42 -6.584 -24.018 7.400 1.00 25.54 ATOM 701 CB MET 42 -5.293 -22.532 8.198 1.00 41.42 ATOM 702 HB1 MET 42 -5.940 -21.710 7.920 1.00 39.32 ATOM 703 HB2 MET 42 -4.262 -22.227 8.075 1.00 75.24 ATOM 704 CG MET 42 -5.540 -22.847 9.664 1.00 12.52 ATOM 705 HG1 MET 42 -5.085 -23.791 9.912 1.00 39.32 ATOM 706 HG2 MET 42 -6.598 -22.900 9.812 1.00 10.13 ATOM 707 SD MET 42 -4.868 -21.589 10.768 1.00 63.23 ATOM 708 CE MET 42 -6.247 -20.451 10.865 1.00 35.33 ATOM 709 HE1 MET 42 -6.091 -19.770 11.684 1.00 25.54 ATOM 710 HE2 MET 42 -7.158 -21.006 11.023 1.00 53.31 ATOM 711 HE3 MET 42 -6.332 -19.900 9.953 1.00 45.42 ATOM 712 C MET 42 -5.385 -23.280 5.812 1.00 31.25 ATOM 713 O MET 42 -4.888 -22.192 5.521 1.00 60.32 ATOM 714 N PRO 43 -5.798 -24.151 4.879 1.00 11.42 ATOM 715 CA PRO 43 -5.693 -23.880 3.442 1.00 2.14 ATOM 716 HA PRO 43 -4.679 -23.620 3.165 1.00 45.51 ATOM 717 CB PRO 43 -6.065 -25.219 2.801 1.00 53.11 ATOM 718 HB1 PRO 43 -5.166 -25.786 2.614 1.00 39.32 ATOM 719 HB2 PRO 43 -6.595 -25.067 1.868 1.00 23.43 ATOM 720 CG PRO 43 -6.922 -25.898 3.813 1.00 72.24 ATOM 721 HG1 PRO 43 -6.838 -26.969 3.706 1.00 39.32 ATOM 722 HG2 PRO 43 -7.949 -25.587 3.692 1.00 60.21 ATOM 723 CD PRO 43 -6.400 -25.466 5.155 1.00 52.11 ATOM 724 HD1 PRO 43 -5.655 -26.163 5.511 1.00 39.32 ATOM 725 HD2 PRO 43 -7.206 -25.390 5.857 1.00 23.43 ATOM 726 C PRO 43 -6.652 -22.786 2.987 1.00 53.22 ATOM 727 O PRO 43 -7.870 -22.942 3.066 1.00 70.13 ATOM 728 N GLY 44 -6.095 -21.677 2.509 1.00 22.12 ATOM 729 HN GLY 44 -5.116 -21.596 2.465 1.00 39.32 ATOM 730 CA GLY 44 -6.916 -20.573 2.048 1.00 72.34 ATOM 731 HA1 GLY 44 -7.604 -20.929 1.292 1.00 39.32 ATOM 732 HA2 GLY 44 -6.273 -19.825 1.607 1.00 20.31 ATOM 733 C GLY 44 -7.708 -19.931 3.170 1.00 45.25 ATOM 734 O GLY 44 -8.927 -20.079 3.242 1.00 51.13 ATOM 735 N ALA 45 -7.012 -19.216 4.048 1.00 31.43 ATOM 736 HN ALA 45 -6.034 -19.140 3.949 1.00 39.32 ATOM 737 CA ALA 45 -7.658 -18.549 5.172 1.00 43.11 ATOM 738 HA ALA 45 -8.730 -18.521 5.000 1.00 75.43 ATOM 739 CB ALA 45 -7.420 -19.329 6.456 1.00 1.25 ATOM 740 HB1 ALA 45 -6.410 -19.699 6.466 1.00 55.13 ATOM 741 HB2 ALA 45 -8.103 -20.165 6.493 1.00 33.54 ATOM 742 HB3 ALA 45 -7.586 -18.698 7.320 1.00 20.32 ATOM 743 C ALA 45 -7.157 -17.116 5.320 1.00 35.13 ATOM 744 O ALA 45 -5.970 -16.842 5.147 1.00 10.01 ATOM 745 N SER 46 -8.071 -16.205 5.641 1.00 31.53 ATOM 746 HN SER 46 -9.006 -16.487 5.786 1.00 39.32 ATOM 747 CA SER 46 -7.723 -14.799 5.808 1.00 21.35 ATOM 748 HA SER 46 -6.948 -14.546 5.094 1.00 23.31 ATOM 749 CB SER 46 -8.941 -13.915 5.535 1.00 43.41 ATOM 750 HB1 SER 46 -9.534 -14.348 4.745 1.00 39.32 ATOM 751 HB2 SER 46 -8.610 -12.931 5.246 1.00 22.55 ATOM 752 OG SER 46 -9.757 -13.800 6.687 1.00 32.15 ATOM 753 HG SER 46 -10.542 -13.290 6.474 1.00 42.22 ATOM 754 C SER 46 -7.193 -14.534 7.214 1.00 31.34 ATOM 755 O SER 46 -7.173 -15.427 8.061 1.00 52.30 ATOM 756 N GLY 47 -6.764 -13.299 7.455 1.00 20.14 ATOM 757 HN GLY 47 -6.800 -12.618 6.746 1.00 39.32 ATOM 758 CA GLY 47 -6.239 -12.937 8.759 1.00 34.22 ATOM 759 HA1 GLY 47 -5.867 -11.924 8.713 1.00 39.32 ATOM 760 HA2 GLY 47 -5.419 -13.597 9.011 1.00 72.44 ATOM 761 C GLY 47 -7.289 -13.019 9.850 1.00 70.43 ATOM 762 O GLY 47 -7.002 -13.451 10.966 1.00 62.54 ATOM 763 N ALA 48 -8.509 -12.602 9.527 1.00 20.23 ATOM 764 HN ALA 48 -8.679 -12.251 8.621 1.00 39.32 ATOM 765 CA ALA 48 -9.605 -12.631 10.488 1.00 41.02 ATOM 766 HA ALA 48 -9.350 -11.975 11.310 1.00 54.23 ATOM 767 CB ALA 48 -10.882 -12.107 9.848 1.00 62.15 ATOM 768 HB1 ALA 48 -10.709 -11.110 9.470 1.00 71.55 ATOM 769 HB2 ALA 48 -11.673 -12.078 10.584 1.00 22.11 ATOM 770 HB3 ALA 48 -11.172 -12.754 9.032 1.00 61.35 ATOM 771 C ALA 48 -9.822 -14.039 11.031 1.00 73.44 ATOM 772 O ALA 48 -10.181 -14.217 12.194 1.00 12.21 ATOM 773 N GLU 49 -9.603 -15.037 10.180 1.00 51.03 ATOM 774 HN GLU 49 -9.326 -14.839 9.255 1.00 39.32 ATOM 775 CA GLU 49 -9.777 -16.430 10.575 1.00 11.44 ATOM 776 HA GLU 49 -10.744 -16.530 11.053 1.00 52.14 ATOM 777 CB GLU 49 -9.729 -17.342 9.348 1.00 40.44 ATOM 778 HB1 GLU 49 -9.566 -18.368 9.663 1.00 39.32 ATOM 779 HB2 GLU 49 -8.903 -17.039 8.723 1.00 54.53 ATOM 780 CG GLU 49 -10.994 -17.298 8.507 1.00 31.12 ATOM 781 HG1 GLU 49 -10.780 -17.735 7.542 1.00 39.32 ATOM 782 HG2 GLU 49 -11.298 -16.269 8.372 1.00 70.31 ATOM 783 CD GLU 49 -12.141 -18.064 9.139 1.00 43.52 ATOM 784 OE1 GLU 49 -12.405 -19.203 8.703 1.00 73.30 ATOM 785 OE2 GLU 49 -12.773 -17.522 10.070 1.00 52.13 ATOM 786 C GLU 49 -8.704 -16.849 11.576 1.00 34.04 ATOM 787 O GLU 49 -8.966 -17.626 12.495 1.00 61.35 ATOM 788 N VAL 50 -7.495 -16.329 11.392 1.00 51.24 ATOM 789 HN VAL 50 -7.350 -15.699 10.651 1.00 39.32 ATOM 790 CA VAL 50 -6.382 -16.648 12.278 1.00 51.13 ATOM 791 HA VAL 50 -6.241 -17.720 12.270 1.00 20.15 ATOM 792 CB VAL 50 -5.077 -15.984 11.800 1.00 24.24 ATOM 793 HB VAL 50 -5.204 -14.911 11.829 1.00 2.33 ATOM 794 CG1 VAL 50 -3.924 -16.349 12.723 1.00 3.11 ATOM 795 HG11 VAL 50 -3.961 -17.407 12.941 1.00 11.13 ATOM 796 HG12 VAL 50 -3.999 -15.788 13.642 1.00 73.41 ATOM 797 HG13 VAL 50 -2.985 -16.123 12.247 1.00 13.24 ATOM 798 CG2 VAL 50 -4.769 -16.385 10.366 1.00 73.05 ATOM 799 HG21 VAL 50 -5.551 -16.044 9.714 1.00 64.23 ATOM 800 HG22 VAL 50 -4.688 -17.461 10.298 1.00 22.35 ATOM 801 HG23 VAL 50 -3.833 -15.938 10.058 1.00 53.42 ATOM 802 C VAL 50 -6.672 -16.203 13.707 1.00 74.42 ATOM 803 O VAL 50 -6.401 -16.930 14.663 1.00 63.45 ATOM 804 N LYS 51 -7.227 -15.004 13.846 1.00 31.12 ATOM 805 HN LYS 51 -7.411 -14.458 13.044 1.00 39.32 ATOM 806 CA LYS 51 -7.557 -14.461 15.159 1.00 71.14 ATOM 807 HA LYS 51 -6.635 -14.371 15.720 1.00 73.51 ATOM 808 CB LYS 51 -8.198 -13.079 15.015 1.00 51.10 ATOM 809 HB1 LYS 51 -9.246 -13.183 14.754 1.00 39.32 ATOM 810 HB2 LYS 51 -7.698 -12.555 14.210 1.00 51.14 ATOM 811 CG LYS 51 -8.075 -12.219 16.261 1.00 52.01 ATOM 812 HG1 LYS 51 -8.027 -11.180 15.962 1.00 39.32 ATOM 813 HG2 LYS 51 -7.164 -12.475 16.789 1.00 71.21 ATOM 814 CD LYS 51 -9.254 -12.423 17.198 1.00 62.21 ATOM 815 HD1 LYS 51 -8.954 -12.125 18.192 1.00 39.32 ATOM 816 HD2 LYS 51 -9.557 -13.450 17.217 1.00 10.00 ATOM 817 CE LYS 51 -10.448 -11.577 16.784 1.00 71.22 ATOM 818 HE1 LYS 51 -10.922 -12.040 15.931 1.00 39.32 ATOM 819 HE2 LYS 51 -10.110 -10.584 16.513 1.00 43.22 ATOM 820 NZ LYS 51 -11.447 -11.452 17.882 1.00 64.25 ATOM 821 HZ1 LYS 51 -11.805 -12.391 18.155 1.00 50.43 ATOM 822 HZ2 LYS 51 -12.249 -10.870 17.567 1.00 1.32 ATOM 823 HZ3 LYS 51 -11.015 -11.001 18.715 1.00 54.12 ATOM 824 C LYS 51 -8.499 -15.394 15.912 1.00 34.32 ATOM 825 O LYS 51 -8.445 -15.490 17.138 1.00 53.25 ATOM 826 N GLY 52 -9.362 -16.082 15.170 1.00 31.45 ATOM 827 HN GLY 52 -9.390 -15.963 14.196 1.00 39.32 ATOM 828 CA GLY 52 -10.303 -17.000 15.786 1.00 22.02 ATOM 829 HA1 GLY 52 -11.008 -17.326 15.036 1.00 39.32 ATOM 830 HA2 GLY 52 -10.845 -16.488 16.571 1.00 54.52 ATOM 831 C GLY 52 -9.622 -18.221 16.373 1.00 54.02 ATOM 832 O GLY 52 -9.954 -18.656 17.476 1.00 73.04 ATOM 833 N VAL 53 -8.668 -18.777 15.633 1.00 20.13 ATOM 834 HN VAL 53 -8.443 -18.380 14.759 1.00 39.32 ATOM 835 CA VAL 53 -7.939 -19.956 16.086 1.00 12.03 ATOM 836 HA VAL 53 -8.655 -20.745 16.259 1.00 62.24 ATOM 837 CB VAL 53 -6.934 -20.437 15.023 1.00 21.12 ATOM 838 HB VAL 53 -6.229 -19.639 14.830 1.00 22.25 ATOM 839 CG1 VAL 53 -6.159 -21.644 15.529 1.00 61.44 ATOM 840 HG11 VAL 53 -5.490 -21.991 14.752 1.00 73.52 ATOM 841 HG12 VAL 53 -6.843 -22.436 15.781 1.00 13.33 ATOM 842 HG13 VAL 53 -5.575 -21.380 16.397 1.00 64.45 ATOM 843 CG2 VAL 53 -7.650 -20.760 13.721 1.00 73.33 ATOM 844 HG21 VAL 53 -8.532 -21.345 13.921 1.00 10.41 ATOM 845 HG22 VAL 53 -6.997 -21.327 13.092 1.00 12.41 ATOM 846 HG23 VAL 53 -7.928 -19.845 13.221 1.00 61.24 ATOM 847 C VAL 53 -7.193 -19.675 17.386 1.00 62.15 ATOM 848 O VAL 53 -7.082 -20.545 18.251 1.00 55.25 ATOM 849 N CYS 54 -6.683 -18.456 17.516 1.00 5.32 ATOM 850 HN CYS 54 -6.833 -17.794 16.803 1.00 39.32 ATOM 851 CA CYS 54 -5.945 -18.059 18.711 1.00 74.31 ATOM 852 HA CYS 54 -5.193 -18.811 18.912 1.00 54.42 ATOM 853 CB CYS 54 -5.246 -16.718 18.482 1.00 32.45 ATOM 854 HB1 CYS 54 -4.564 -16.536 19.298 1.00 39.32 ATOM 855 HB2 CYS 54 -5.983 -15.926 18.451 1.00 32.01 ATOM 856 SG CYS 54 -4.300 -16.632 16.944 1.00 24.14 ATOM 857 HG CYS 54 -4.461 -17.779 16.300 1.00 23.32 ATOM 858 C CYS 54 -6.875 -17.963 19.916 1.00 21.13 ATOM 859 O CYS 54 -6.607 -18.543 20.969 1.00 30.11 ATOM 860 N THR 55 -7.969 -17.225 19.756 1.00 10.01 ATOM 861 HN THR 55 -8.132 -16.786 18.887 1.00 39.32 ATOM 862 CA THR 55 -8.937 -17.050 20.831 1.00 10.14 ATOM 863 HA THR 55 -8.418 -16.623 21.682 1.00 65.20 ATOM 864 CB THR 55 -10.067 -16.088 20.419 1.00 1.40 ATOM 865 HB THR 55 -10.680 -16.565 19.663 1.00 3.45 ATOM 866 OG1 THR 55 -9.512 -14.887 19.871 1.00 1.53 ATOM 867 HG1 THR 55 -9.406 -14.982 18.921 1.00 30.22 ATOM 868 CG2 THR 55 -10.949 -15.747 21.610 1.00 35.13 ATOM 869 HG21 THR 55 -11.481 -16.628 21.936 1.00 35.21 ATOM 870 HG22 THR 55 -11.661 -14.989 21.320 1.00 22.23 ATOM 871 HG23 THR 55 -10.340 -15.372 22.422 1.00 64.01 ATOM 872 C THR 55 -9.547 -18.384 21.245 1.00 71.44 ATOM 873 O THR 55 -9.699 -18.666 22.433 1.00 53.42 ATOM 874 N GLU 56 -9.894 -19.203 20.256 1.00 0.21 ATOM 875 HN GLU 56 -9.757 -18.921 19.320 1.00 39.32 ATOM 876 CA GLU 56 -10.488 -20.508 20.519 1.00 62.31 ATOM 877 HA GLU 56 -11.375 -20.355 21.109 1.00 62.45 ATOM 878 CB GLU 56 -10.852 -21.202 19.204 1.00 1.34 ATOM 879 HB1 GLU 56 -10.903 -22.273 19.353 1.00 39.32 ATOM 880 HB2 GLU 56 -10.087 -20.981 18.480 1.00 34.32 ATOM 881 CG GLU 56 -12.182 -20.749 18.625 1.00 23.04 ATOM 882 HG1 GLU 56 -12.371 -21.301 17.716 1.00 39.32 ATOM 883 HG2 GLU 56 -12.122 -19.695 18.399 1.00 33.02 ATOM 884 CD GLU 56 -13.340 -20.974 19.578 1.00 3.43 ATOM 885 OE1 GLU 56 -13.280 -21.938 20.369 1.00 62.43 ATOM 886 OE2 GLU 56 -14.306 -20.184 19.533 1.00 0.44 ATOM 887 C GLU 56 -9.535 -21.388 21.324 1.00 42.45 ATOM 888 O GLU 56 -9.952 -22.099 22.237 1.00 63.01 ATOM 889 N ALA 57 -8.253 -21.333 20.976 1.00 11.33 ATOM 890 HN ALA 57 -7.978 -20.759 20.222 1.00 39.32 ATOM 891 CA ALA 57 -7.240 -22.122 21.666 1.00 34.11 ATOM 892 HA ALA 57 -7.438 -23.167 21.469 1.00 52.20 ATOM 893 CB ALA 57 -5.857 -21.794 21.125 1.00 63.41 ATOM 894 HB1 ALA 57 -5.849 -21.936 20.054 1.00 44.11 ATOM 895 HB2 ALA 57 -5.126 -22.449 21.577 1.00 21.40 ATOM 896 HB3 ALA 57 -5.609 -20.767 21.352 1.00 62.30 ATOM 897 C ALA 57 -7.291 -21.885 23.172 1.00 73.53 ATOM 898 O ALA 57 -7.154 -22.819 23.962 1.00 50.44 ATOM 899 N GLY 58 -7.489 -20.630 23.563 1.00 50.04 ATOM 900 HN GLY 58 -7.581 -19.911 22.899 1.00 39.32 ATOM 901 CA GLY 58 -7.554 -20.294 24.973 1.00 45.42 ATOM 902 HA1 GLY 58 -7.563 -19.218 25.071 1.00 39.32 ATOM 903 HA2 GLY 58 -6.676 -20.679 25.476 1.00 34.15 ATOM 904 C GLY 58 -8.791 -20.852 25.646 1.00 35.11 ATOM 905 O GLY 58 -8.780 -21.137 26.843 1.00 2.12 ATOM 906 N MET 59 -9.863 -21.008 24.875 1.00 10.45 ATOM 907 HN MET 59 -9.821 -20.754 23.929 1.00 39.32 ATOM 908 CA MET 59 -11.115 -21.535 25.406 1.00 61.35 ATOM 909 HA MET 59 -11.378 -20.959 26.278 1.00 44.44 ATOM 910 CB MET 59 -12.228 -21.408 24.364 1.00 15.12 ATOM 911 HB1 MET 59 -13.153 -21.771 24.793 1.00 39.32 ATOM 912 HB2 MET 59 -11.981 -22.028 23.514 1.00 14.51 ATOM 913 CG MET 59 -12.430 -19.988 23.861 1.00 13.31 ATOM 914 HG1 MET 59 -12.600 -20.028 22.798 1.00 39.32 ATOM 915 HG2 MET 59 -11.553 -19.388 24.054 1.00 62.41 ATOM 916 SD MET 59 -13.851 -19.178 24.620 1.00 54.45 ATOM 917 CE MET 59 -13.464 -19.371 26.357 1.00 21.34 ATOM 918 HE1 MET 59 -12.473 -18.986 26.550 1.00 25.44 ATOM 919 HE2 MET 59 -13.502 -20.417 26.621 1.00 63.55 ATOM 920 HE3 MET 59 -14.184 -18.824 26.948 1.00 73.44 ATOM 921 C MET 59 -10.957 -22.994 25.822 1.00 21.20 ATOM 922 O MET 59 -11.302 -23.371 26.942 1.00 10.23 ATOM 923 N TYR 60 -10.434 -23.811 24.914 1.00 0.40 ATOM 924 HN TYR 60 -10.178 -23.450 24.031 1.00 39.32 ATOM 925 CA TYR 60 -10.233 -25.229 25.187 1.00 51.23 ATOM 926 HA TYR 60 -11.197 -25.674 25.338 1.00 55.20 ATOM 927 CB TYR 60 -9.555 -25.908 23.995 1.00 12.43 ATOM 928 HB1 TYR 60 -9.161 -26.874 24.293 1.00 39.32 ATOM 929 HB2 TYR 60 -8.743 -25.280 23.668 1.00 22.24 ATOM 930 CG TYR 60 -10.477 -26.124 22.817 1.00 73.33 ATOM 931 CD1 TYR 60 -10.419 -25.296 21.703 1.00 63.04 ATOM 932 HD1 TYR 60 -9.701 -24.489 21.682 1.00 3.02 ATOM 933 CD2 TYR 60 -11.407 -27.156 22.817 1.00 34.35 ATOM 934 HD2 TYR 60 -11.469 -27.812 23.675 1.00 62.04 ATOM 935 CE1 TYR 60 -11.260 -25.490 20.624 1.00 44.44 ATOM 936 HE1 TYR 60 -11.199 -24.835 19.767 1.00 31.53 ATOM 937 CE2 TYR 60 -12.251 -27.358 21.742 1.00 31.35 ATOM 938 HE2 TYR 60 -12.967 -28.167 21.762 1.00 73.53 ATOM 939 CZ TYR 60 -12.174 -26.522 20.648 1.00 24.31 ATOM 940 OH TYR 60 -13.013 -26.719 19.576 1.00 73.31 ATOM 941 HH TYR 60 -12.519 -27.089 18.838 1.00 35.12 ATOM 942 C TYR 60 -9.394 -25.428 26.445 1.00 22.11 ATOM 943 O TYR 60 -9.650 -26.333 27.238 1.00 23.34 ATOM 944 N ALA 61 -8.390 -24.574 26.620 1.00 34.44 ATOM 945 HN ALA 61 -8.224 -23.871 25.948 1.00 39.32 ATOM 946 CA ALA 61 -7.514 -24.654 27.783 1.00 54.33 ATOM 947 HA ALA 61 -7.203 -25.685 27.909 1.00 52.15 ATOM 948 CB ALA 61 -6.264 -23.816 27.559 1.00 21.21 ATOM 949 HB1 ALA 61 -5.595 -23.927 28.402 1.00 4.04 ATOM 950 HB2 ALA 61 -6.537 -22.776 27.449 1.00 42.45 ATOM 951 HB3 ALA 61 -5.766 -24.151 26.661 1.00 63.22 ATOM 952 C ALA 61 -8.237 -24.201 29.047 1.00 73.41 ATOM 953 O ALA 61 -8.067 -24.790 30.116 1.00 54.43 ATOM 954 N LEU 62 -9.043 -23.153 28.919 1.00 73.22 ATOM 955 HN LEU 62 -9.134 -22.713 28.041 1.00 39.32 ATOM 956 CA LEU 62 -9.792 -22.621 30.052 1.00 73.10 ATOM 957 HA LEU 62 -9.095 -22.431 30.860 1.00 71.54 ATOM 958 CB LEU 62 -10.477 -21.309 29.665 1.00 3.12 ATOM 959 HB1 LEU 62 -11.329 -21.149 30.320 1.00 39.32 ATOM 960 HB2 LEU 62 -10.857 -21.427 28.656 1.00 33.24 ATOM 961 CG LEU 62 -9.601 -20.056 29.710 1.00 64.44 ATOM 962 HG LEU 62 -8.619 -20.291 29.321 1.00 10.21 ATOM 963 CD1 LEU 62 -10.193 -18.960 28.838 1.00 2.43 ATOM 964 HD11 LEU 62 -11.174 -18.691 29.205 1.00 54.23 ATOM 965 HD12 LEU 62 -10.276 -19.313 27.819 1.00 11.22 ATOM 966 HD13 LEU 62 -9.550 -18.091 28.861 1.00 73.43 ATOM 967 CD2 LEU 62 -9.436 -19.571 31.143 1.00 61.35 ATOM 968 HD21 LEU 62 -10.402 -19.314 31.555 1.00 22.03 ATOM 969 HD22 LEU 62 -8.795 -18.700 31.160 1.00 64.33 ATOM 970 HD23 LEU 62 -8.988 -20.353 31.741 1.00 23.51 ATOM 971 C LEU 62 -10.832 -23.626 30.538 1.00 62.11 ATOM 972 O LEU 62 -10.918 -23.917 31.731 1.00 11.10 ATOM 973 N ARG 63 -11.617 -24.155 29.605 1.00 14.43 ATOM 974 HN ARG 63 -11.502 -23.881 28.665 1.00 39.32 ATOM 975 CA ARG 63 -12.650 -25.128 29.938 1.00 34.05 ATOM 976 HA ARG 63 -13.350 -24.657 30.614 1.00 54.02 ATOM 977 CB ARG 63 -13.399 -25.561 28.677 1.00 51.04 ATOM 978 HB1 ARG 63 -13.805 -24.682 28.197 1.00 39.32 ATOM 979 HB2 ARG 63 -14.216 -26.211 28.966 1.00 61.33 ATOM 980 CG ARG 63 -12.525 -26.291 27.670 1.00 30.22 ATOM 981 HG1 ARG 63 -11.964 -27.070 28.154 1.00 39.32 ATOM 982 HG2 ARG 63 -11.868 -25.582 27.253 1.00 62.41 ATOM 983 CD ARG 63 -13.355 -26.905 26.553 1.00 2.42 ATOM 984 HD1 ARG 63 -12.766 -26.943 25.652 1.00 39.32 ATOM 985 HD2 ARG 63 -14.223 -26.282 26.368 1.00 64.25 ATOM 986 NE ARG 63 -13.815 -28.249 26.888 1.00 30.54 ATOM 987 HE ARG 63 -14.742 -28.343 27.200 1.00 4.22 ATOM 988 CZ ARG 63 -13.052 -29.332 26.793 1.00 23.43 ATOM 989 NH1 ARG 63 -11.798 -29.229 26.376 1.00 44.14 ATOM 990 HH11 ARG 63 -11.398 -28.350 26.130 1.00 1.32 ATOM 991 HH12 ARG 63 -11.233 -30.054 26.305 1.00 15.11 ATOM 992 NH2 ARG 63 -13.542 -30.522 27.117 1.00 74.02 ATOM 993 HH21 ARG 63 -14.489 -30.607 27.434 1.00 13.13 ATOM 994 HH22 ARG 63 -12.968 -31.340 27.046 1.00 74.32 ATOM 995 C ARG 63 -12.046 -26.348 30.628 1.00 40.31 ATOM 996 O ARG 63 -12.725 -27.049 31.377 1.00 54.22 ATOM 997 N GLU 64 -10.766 -26.594 30.369 1.00 44.24 ATOM 998 HN GLU 64 -10.270 -26.033 29.733 1.00 39.32 ATOM 999 CA GLU 64 -10.071 -27.730 30.963 1.00 0.44 ATOM 1000 HA GLU 64 -10.799 -28.485 31.241 1.00 54.34 ATOM 1001 CB GLU 64 -9.096 -28.343 29.957 1.00 64.50 ATOM 1002 HB1 GLU 64 -8.458 -29.056 30.468 1.00 39.32 ATOM 1003 HB2 GLU 64 -8.481 -27.557 29.545 1.00 52.21 ATOM 1004 CG GLU 64 -9.780 -29.063 28.807 1.00 11.00 ATOM 1005 HG1 GLU 64 -10.284 -28.342 28.199 1.00 39.32 ATOM 1006 HG2 GLU 64 -10.503 -29.759 29.209 1.00 60.44 ATOM 1007 CD GLU 64 -8.806 -29.837 27.941 1.00 62.15 ATOM 1008 OE1 GLU 64 -8.397 -29.306 26.887 1.00 61.31 ATOM 1009 OE2 GLU 64 -8.452 -30.974 28.317 1.00 72.30 ATOM 1010 C GLU 64 -9.321 -27.309 32.224 1.00 63.11 ATOM 1011 O GLU 64 -8.431 -28.018 32.695 1.00 43.43 ATOM 1012 N ARG 65 -9.686 -26.151 32.765 1.00 74.54 ATOM 1013 HN ARG 65 -10.397 -25.617 32.378 1.00 39.32 ATOM 1014 CA ARG 65 -9.047 -25.635 33.969 1.00 34.00 ATOM 1015 HA ARG 65 -9.390 -24.622 34.118 1.00 33.23 ATOM 1016 CB ARG 65 -9.442 -26.478 35.183 1.00 13.00 ATOM 1017 HB1 ARG 65 -9.186 -25.923 36.075 1.00 39.32 ATOM 1018 HB2 ARG 65 -8.874 -27.402 35.183 1.00 11.05 ATOM 1019 CG ARG 65 -10.927 -26.798 35.246 1.00 41.53 ATOM 1020 HG1 ARG 65 -11.490 -26.046 34.707 1.00 39.32 ATOM 1021 HG2 ARG 65 -11.231 -26.793 36.283 1.00 31.31 ATOM 1022 CD ARG 65 -11.228 -28.163 34.649 1.00 75.31 ATOM 1023 HD1 ARG 65 -10.368 -28.815 34.744 1.00 39.32 ATOM 1024 HD2 ARG 65 -11.462 -28.028 33.605 1.00 62.40 ATOM 1025 NE ARG 65 -12.370 -28.804 35.297 1.00 42.11 ATOM 1026 HE ARG 65 -12.732 -28.388 36.114 1.00 45.13 ATOM 1027 CZ ARG 65 -12.942 -29.915 34.847 1.00 21.20 ATOM 1028 NH1 ARG 65 -12.481 -30.506 33.753 1.00 21.13 ATOM 1029 HH11 ARG 65 -11.703 -30.136 33.249 1.00 74.00 ATOM 1030 HH12 ARG 65 -12.920 -31.343 33.421 1.00 3.54 ATOM 1031 NH2 ARG 65 -13.977 -30.438 35.492 1.00 51.21 ATOM 1032 HH21 ARG 65 -14.330 -29.997 36.320 1.00 72.31 ATOM 1033 HH22 ARG 65 -14.410 -31.276 35.154 1.00 41.14 ATOM 1034 C ARG 65 -7.529 -25.623 33.817 1.00 72.24 ATOM 1035 O ARG 65 -6.799 -25.961 34.749 1.00 73.35 ATOM 1036 N ARG 66 -7.061 -25.232 32.636 1.00 73.53 ATOM 1037 HN ARG 66 -7.684 -24.948 31.929 1.00 39.32 ATOM 1038 CA ARG 66 -5.631 -25.178 32.361 1.00 65.43 ATOM 1039 HA ARG 66 -5.090 -25.621 33.191 1.00 44.44 ATOM 1040 CB ARG 66 -5.303 -25.971 31.094 1.00 23.42 ATOM 1041 HB1 ARG 66 -4.261 -25.800 30.842 1.00 39.32 ATOM 1042 HB2 ARG 66 -5.915 -25.616 30.285 1.00 52.35 ATOM 1043 CG ARG 66 -5.520 -27.469 31.240 1.00 55.45 ATOM 1044 HG1 ARG 66 -6.557 -27.691 31.029 1.00 39.32 ATOM 1045 HG2 ARG 66 -5.283 -27.774 32.252 1.00 54.01 ATOM 1046 CD ARG 66 -4.639 -28.255 30.282 1.00 31.30 ATOM 1047 HD1 ARG 66 -3.669 -28.372 30.744 1.00 39.32 ATOM 1048 HD2 ARG 66 -4.533 -27.709 29.352 1.00 30.32 ATOM 1049 NE ARG 66 -5.194 -29.573 29.985 1.00 23.31 ATOM 1050 HE ARG 66 -6.138 -29.739 30.216 1.00 2.22 ATOM 1051 CZ ARG 66 -4.498 -30.553 29.418 1.00 10.41 ATOM 1052 NH1 ARG 66 -3.228 -30.363 29.089 1.00 62.32 ATOM 1053 HH11 ARG 66 -2.770 -29.493 29.253 1.00 3.42 ATOM 1054 HH12 ARG 66 -2.711 -31.110 28.665 1.00 2.21 ATOM 1055 NH2 ARG 66 -5.073 -31.725 29.180 1.00 41.53 ATOM 1056 HH21 ARG 66 -6.033 -31.875 29.427 1.00 73.02 ATOM 1057 HH22 ARG 66 -4.550 -32.465 28.752 1.00 43.31 ATOM 1058 C ARG 66 -5.161 -23.735 32.206 1.00 42.13 ATOM 1059 O ARG 66 -5.942 -22.851 31.853 1.00 30.22 ATOM 1060 N VAL 67 -3.879 -23.503 32.472 1.00 33.13 ATOM 1061 HN VAL 67 -3.303 -24.244 32.772 1.00 39.32 ATOM 1062 CA VAL 67 -3.305 -22.168 32.362 1.00 0.52 ATOM 1063 HA VAL 67 -4.105 -21.443 32.248 1.00 4.04 ATOM 1064 CB VAL 67 -2.508 -21.793 33.626 1.00 63.52 ATOM 1065 HB VAL 67 -1.667 -22.468 33.717 1.00 50.22 ATOM 1066 CG1 VAL 67 -1.968 -20.376 33.516 1.00 4.34 ATOM 1067 HG11 VAL 67 -1.684 -20.011 34.496 1.00 51.22 ATOM 1068 HG12 VAL 67 -2.716 -19.717 33.094 1.00 24.11 ATOM 1069 HG13 VAL 67 -1.103 -20.385 32.889 1.00 22.33 ATOM 1070 CG2 VAL 67 -3.373 -21.949 34.867 1.00 55.31 ATOM 1071 HG21 VAL 67 -4.241 -21.309 34.789 1.00 20.55 ATOM 1072 HG22 VAL 67 -2.803 -21.674 35.744 1.00 74.13 ATOM 1073 HG23 VAL 67 -3.693 -22.976 34.963 1.00 4.35 ATOM 1074 C VAL 67 -2.390 -22.061 31.147 1.00 32.23 ATOM 1075 O VAL 67 -2.179 -20.974 30.608 1.00 35.24 ATOM 1076 N HIS 68 -1.849 -23.197 30.720 1.00 63.52 ATOM 1077 HN HIS 68 -2.084 -24.039 31.150 1.00 39.32 ATOM 1078 CA HIS 68 -0.956 -23.233 29.567 1.00 53.24 ATOM 1079 HA HIS 68 -0.681 -22.220 29.304 1.00 2.22 ATOM 1080 CB HIS 68 0.325 -23.994 29.910 1.00 52.45 ATOM 1081 HB1 HIS 68 0.925 -23.382 30.568 1.00 39.32 ATOM 1082 HB2 HIS 68 0.889 -24.193 29.008 1.00 52.10 ATOM 1083 CG HIS 68 0.079 -25.298 30.603 1.00 3.14 ATOM 1084 ND1 HIS 68 -0.154 -25.397 31.959 1.00 75.13 ATOM 1085 HD1 HIS 68 -0.182 -24.649 32.592 1.00 72.32 ATOM 1086 CD2 HIS 68 0.030 -26.562 30.121 1.00 3.22 ATOM 1087 HD2 HIS 68 0.168 -26.861 29.091 1.00 42.21 ATOM 1088 CE1 HIS 68 -0.335 -26.666 32.280 1.00 1.45 ATOM 1089 HE1 HIS 68 -0.538 -27.044 33.271 1.00 30.24 ATOM 1090 NE2 HIS 68 -0.228 -27.393 31.183 1.00 33.02 ATOM 1091 HE2 HIS 68 -0.409 -28.354 31.123 1.00 39.32 ATOM 1092 C HIS 68 -1.642 -23.882 28.368 1.00 33.14 ATOM 1093 O HIS 68 -2.238 -24.953 28.486 1.00 22.12 ATOM 1094 N VAL 69 -1.555 -23.226 27.216 1.00 72.15 ATOM 1095 HN VAL 69 -1.047 -22.384 27.176 1.00 39.32 ATOM 1096 CA VAL 69 -2.167 -23.739 25.996 1.00 71.42 ATOM 1097 HA VAL 69 -3.103 -24.224 26.264 1.00 44.55 ATOM 1098 CB VAL 69 -2.485 -22.603 25.006 1.00 10.10 ATOM 1099 HB VAL 69 -1.565 -22.210 24.625 1.00 13.53 ATOM 1100 CG1 VAL 69 -3.290 -23.130 23.828 1.00 64.22 ATOM 1101 HG11 VAL 69 -4.144 -23.690 24.185 1.00 71.13 ATOM 1102 HG12 VAL 69 -2.670 -23.767 23.218 1.00 14.43 ATOM 1103 HG13 VAL 69 -3.637 -22.302 23.224 1.00 14.31 ATOM 1104 CG2 VAL 69 -3.229 -21.477 25.709 1.00 23.30 ATOM 1105 HG21 VAL 69 -4.160 -21.854 26.111 1.00 34.12 ATOM 1106 HG22 VAL 69 -3.441 -20.688 25.001 1.00 50.12 ATOM 1107 HG23 VAL 69 -2.631 -21.076 26.511 1.00 31.15 ATOM 1108 C VAL 69 -1.260 -24.756 25.311 1.00 2.44 ATOM 1109 O VAL 69 -0.035 -24.677 25.409 1.00 3.42 ATOM 1110 N THR 70 -1.869 -25.711 24.617 1.00 60.44 ATOM 1111 HN THR 70 -2.851 -25.736 24.574 1.00 39.32 ATOM 1112 CA THR 70 -1.117 -26.744 23.916 1.00 62.43 ATOM 1113 HA THR 70 -0.055 -26.580 24.064 1.00 41.32 ATOM 1114 CB THR 70 -1.451 -28.147 24.457 1.00 70.44 ATOM 1115 HB THR 70 -0.789 -28.866 23.993 1.00 62.52 ATOM 1116 OG1 THR 70 -2.805 -28.485 24.138 1.00 75.53 ATOM 1117 HG1 THR 70 -3.423 -27.863 24.544 1.00 34.34 ATOM 1118 CG2 THR 70 -1.249 -28.209 25.963 1.00 2.10 ATOM 1119 HG21 THR 70 -1.450 -29.212 26.309 1.00 1.32 ATOM 1120 HG22 THR 70 -1.925 -27.521 26.449 1.00 41.23 ATOM 1121 HG23 THR 70 -0.229 -27.945 26.205 1.00 33.41 ATOM 1122 C THR 70 -1.399 -26.709 22.418 1.00 64.20 ATOM 1123 O THR 70 -2.430 -26.196 21.984 1.00 65.12 ATOM 1124 N GLN 71 -0.476 -27.258 21.634 1.00 75.11 ATOM 1125 HN GLN 71 0.333 -27.650 22.043 1.00 39.32 ATOM 1126 CA GLN 71 -0.627 -27.289 20.184 1.00 53.20 ATOM 1127 HA GLN 71 -0.570 -26.273 19.822 1.00 0.15 ATOM 1128 CB GLN 71 0.501 -28.104 19.550 1.00 72.41 ATOM 1129 HB1 GLN 71 0.566 -29.055 20.060 1.00 39.32 ATOM 1130 HB2 GLN 71 1.432 -27.578 19.676 1.00 31.55 ATOM 1131 CG GLN 71 0.298 -28.373 18.067 1.00 4.33 ATOM 1132 HG1 GLN 71 0.224 -27.427 17.554 1.00 39.32 ATOM 1133 HG2 GLN 71 -0.615 -28.931 17.926 1.00 53.54 ATOM 1134 CD GLN 71 1.427 -29.183 17.462 1.00 61.54 ATOM 1135 OE1 GLN 71 1.671 -30.323 17.859 1.00 75.45 ATOM 1136 NE2 GLN 71 2.124 -28.599 16.494 1.00 14.51 ATOM 1137 HE21 GLN 71 1.892 -27.685 16.214 1.00 13.33 ATOM 1138 HE22 GLN 71 2.845 -29.119 16.084 1.00 60.25 ATOM 1139 C GLN 71 -1.979 -27.875 19.789 1.00 23.45 ATOM 1140 O GLN 71 -2.628 -27.392 18.863 1.00 74.21 ATOM 1141 N GLU 72 -2.395 -28.920 20.499 1.00 1.20 ATOM 1142 HN GLU 72 -1.824 -29.279 21.219 1.00 39.32 ATOM 1143 CA GLU 72 -3.669 -29.572 20.221 1.00 21.41 ATOM 1144 HA GLU 72 -3.596 -30.040 19.254 1.00 31.14 ATOM 1145 CB GLU 72 -3.960 -30.642 21.276 1.00 70.13 ATOM 1146 HB1 GLU 72 -5.032 -30.745 21.406 1.00 39.32 ATOM 1147 HB2 GLU 72 -3.531 -30.319 22.215 1.00 54.53 ATOM 1148 CG GLU 72 -3.407 -32.012 20.922 1.00 72.44 ATOM 1149 HG1 GLU 72 -2.431 -31.898 20.468 1.00 39.32 ATOM 1150 HG2 GLU 72 -4.076 -32.484 20.218 1.00 72.32 ATOM 1151 CD GLU 72 -3.266 -32.915 22.132 1.00 71.12 ATOM 1152 OE1 GLU 72 -3.454 -32.422 23.264 1.00 71.21 ATOM 1153 OE2 GLU 72 -2.968 -34.113 21.947 1.00 24.43 ATOM 1154 C GLU 72 -4.805 -28.555 20.186 1.00 53.32 ATOM 1155 O GLU 72 -5.672 -28.606 19.313 1.00 34.43 ATOM 1156 N ASP 73 -4.794 -27.631 21.141 1.00 70.14 ATOM 1157 HN ASP 73 -4.079 -27.645 21.821 1.00 39.32 ATOM 1158 CA ASP 73 -5.823 -26.600 21.220 1.00 62.54 ATOM 1159 HA ASP 73 -6.789 -27.089 21.253 1.00 51.31 ATOM 1160 CB ASP 73 -5.630 -25.753 22.478 1.00 50.20 ATOM 1161 HB1 ASP 73 -5.990 -24.746 22.304 1.00 39.32 ATOM 1162 HB2 ASP 73 -4.587 -25.708 22.734 1.00 4.53 ATOM 1163 CG ASP 73 -6.384 -26.307 23.671 1.00 61.43 ATOM 1164 OD1 ASP 73 -6.517 -25.582 24.678 1.00 13.44 ATOM 1165 OD2 ASP 73 -6.841 -27.467 23.596 1.00 12.21 ATOM 1166 C ASP 73 -5.795 -25.709 19.982 1.00 73.22 ATOM 1167 O ASP 73 -6.836 -25.249 19.512 1.00 73.41 ATOM 1168 N PHE 74 -4.598 -25.468 19.459 1.00 64.42 ATOM 1169 HN PHE 74 -3.797 -25.843 19.888 1.00 39.32 ATOM 1170 CA PHE 74 -4.434 -24.630 18.277 1.00 71.43 ATOM 1171 HA PHE 74 -4.971 -23.702 18.443 1.00 72.33 ATOM 1172 CB PHE 74 -2.953 -24.324 18.044 1.00 52.23 ATOM 1173 HB1 PHE 74 -2.767 -24.213 16.983 1.00 39.32 ATOM 1174 HB2 PHE 74 -2.351 -25.141 18.407 1.00 41.12 ATOM 1175 CG PHE 74 -2.486 -23.070 18.726 1.00 21.23 ATOM 1176 CD1 PHE 74 -2.123 -23.088 20.063 1.00 5.22 ATOM 1177 HD1 PHE 74 -2.176 -24.014 20.619 1.00 14.33 ATOM 1178 CD2 PHE 74 -2.411 -21.874 18.031 1.00 3.12 ATOM 1179 HD2 PHE 74 -2.690 -21.844 16.987 1.00 41.14 ATOM 1180 CE1 PHE 74 -1.692 -21.936 20.694 1.00 23.04 ATOM 1181 HE1 PHE 74 -1.427 -21.970 21.733 1.00 11.11 ATOM 1182 CE2 PHE 74 -1.980 -20.719 18.657 1.00 73.21 ATOM 1183 HE2 PHE 74 -1.926 -19.793 18.104 1.00 25.13 ATOM 1184 CZ PHE 74 -1.622 -20.750 19.990 1.00 5.04 ATOM 1185 HZ PHE 74 -1.286 -19.849 20.481 1.00 24.23 ATOM 1186 C PHE 74 -5.025 -25.308 17.044 1.00 41.13 ATOM 1187 O PHE 74 -5.879 -24.742 16.362 1.00 62.21 ATOM 1188 N GLU 75 -4.563 -26.523 16.765 1.00 43.34 ATOM 1189 HN GLU 75 -3.864 -26.904 17.343 1.00 39.32 ATOM 1190 CA GLU 75 -5.044 -27.277 15.613 1.00 13.42 ATOM 1191 HA GLU 75 -4.895 -26.673 14.727 1.00 30.52 ATOM 1192 CB GLU 75 -4.253 -28.577 15.460 1.00 63.13 ATOM 1193 HB1 GLU 75 -3.244 -28.332 15.166 1.00 39.32 ATOM 1194 HB2 GLU 75 -4.705 -29.175 14.676 1.00 44.45 ATOM 1195 CG GLU 75 -4.184 -29.402 16.734 1.00 53.11 ATOM 1196 HG1 GLU 75 -5.142 -29.408 17.214 1.00 39.32 ATOM 1197 HG2 GLU 75 -3.454 -28.973 17.387 1.00 21.25 ATOM 1198 CD GLU 75 -3.791 -30.843 16.475 1.00 30.44 ATOM 1199 OE1 GLU 75 -4.270 -31.730 17.214 1.00 45.22 ATOM 1200 OE2 GLU 75 -3.005 -31.085 15.536 1.00 72.14 ATOM 1201 C GLU 75 -6.532 -27.587 15.750 1.00 71.13 ATOM 1202 O GLU 75 -7.256 -27.658 14.757 1.00 64.12 ATOM 1203 N MET 76 -6.981 -27.772 16.987 1.00 1.50 ATOM 1204 HN MET 76 -6.358 -27.710 17.747 1.00 39.32 ATOM 1205 CA MET 76 -8.382 -28.074 17.254 1.00 13.21 ATOM 1206 HA MET 76 -8.649 -28.940 16.665 1.00 54.13 ATOM 1207 CB MET 76 -8.588 -28.368 18.741 1.00 32.32 ATOM 1208 HB1 MET 76 -9.558 -28.010 19.053 1.00 39.32 ATOM 1209 HB2 MET 76 -7.846 -27.836 19.314 1.00 35.15 ATOM 1210 CG MET 76 -8.488 -29.845 19.088 1.00 74.03 ATOM 1211 HG1 MET 76 -8.504 -29.948 20.163 1.00 39.32 ATOM 1212 HG2 MET 76 -7.555 -30.234 18.706 1.00 63.22 ATOM 1213 SD MET 76 -9.844 -30.814 18.397 1.00 4.45 ATOM 1214 CE MET 76 -11.255 -29.996 19.137 1.00 52.45 ATOM 1215 HE1 MET 76 -11.436 -29.060 18.630 1.00 71.33 ATOM 1216 HE2 MET 76 -11.054 -29.807 20.181 1.00 24.41 ATOM 1217 HE3 MET 76 -12.126 -30.629 19.047 1.00 45.55 ATOM 1218 C MET 76 -9.279 -26.918 16.824 1.00 54.42 ATOM 1219 O MET 76 -10.276 -27.118 16.130 1.00 31.05 ATOM 1220 N ALA 77 -8.919 -25.708 17.240 1.00 63.01 ATOM 1221 HN ALA 77 -8.112 -25.611 17.800 1.00 39.32 ATOM 1222 CA ALA 77 -9.690 -24.520 16.896 1.00 73.22 ATOM 1223 HA ALA 77 -10.681 -24.629 17.316 1.00 43.41 ATOM 1224 CB ALA 77 -9.054 -23.282 17.508 1.00 4.53 ATOM 1225 HB1 ALA 77 -9.534 -22.401 17.121 1.00 52.40 ATOM 1226 HB2 ALA 77 -8.006 -23.261 17.266 1.00 2.44 ATOM 1227 HB3 ALA 77 -9.169 -23.314 18.580 1.00 12.32 ATOM 1228 C ALA 77 -9.811 -24.363 15.384 1.00 43.22 ATOM 1229 O ALA 77 -10.840 -23.919 14.876 1.00 55.03 ATOM 1230 N VAL 78 -8.751 -24.729 14.669 1.00 12.41 ATOM 1231 HN VAL 78 -7.960 -25.089 15.129 1.00 39.32 ATOM 1232 CA VAL 78 -8.739 -24.628 13.215 1.00 65.24 ATOM 1233 HA VAL 78 -8.883 -23.588 12.948 1.00 23.13 ATOM 1234 CB VAL 78 -7.393 -25.098 12.631 1.00 23.13 ATOM 1235 HB VAL 78 -7.234 -26.126 12.914 1.00 5.30 ATOM 1236 CG1 VAL 78 -7.415 -25.027 11.112 1.00 1.11 ATOM 1237 HG11 VAL 78 -8.034 -25.820 10.719 1.00 61.42 ATOM 1238 HG12 VAL 78 -6.416 -25.153 10.740 1.00 23.51 ATOM 1239 HG13 VAL 78 -7.809 -24.075 10.793 1.00 24.41 ATOM 1240 CG2 VAL 78 -6.249 -24.268 13.195 1.00 32.45 ATOM 1241 HG21 VAL 78 -6.315 -23.259 12.821 1.00 42.04 ATOM 1242 HG22 VAL 78 -5.310 -24.699 12.883 1.00 33.21 ATOM 1243 HG23 VAL 78 -6.287 -24.252 14.262 1.00 74.31 ATOM 1244 C VAL 78 -9.863 -25.452 12.597 1.00 1.01 ATOM 1245 O VAL 78 -10.614 -24.962 11.755 1.00 74.24 ATOM 1246 N ALA 79 -9.973 -26.706 13.023 1.00 65.35 ATOM 1247 HN ALA 79 -9.339 -27.043 13.701 1.00 39.32 ATOM 1248 CA ALA 79 -11.007 -27.598 12.513 1.00 0.03 ATOM 1249 HA ALA 79 -10.902 -27.660 11.437 1.00 51.33 ATOM 1250 CB ALA 79 -10.824 -28.997 13.082 1.00 35.33 ATOM 1251 HB1 ALA 79 -9.834 -29.355 12.839 1.00 44.43 ATOM 1252 HB2 ALA 79 -11.560 -29.664 12.654 1.00 52.14 ATOM 1253 HB3 ALA 79 -10.942 -28.972 14.156 1.00 23.51 ATOM 1254 C ALA 79 -12.399 -27.069 12.842 1.00 3.51 ATOM 1255 O ALA 79 -13.371 -27.377 12.152 1.00 1.04 ATOM 1256 N LYS 80 -12.488 -26.270 13.901 1.00 71.25 ATOM 1257 HN LYS 80 -11.694 -26.082 14.443 1.00 39.32 ATOM 1258 CA LYS 80 -13.761 -25.697 14.322 1.00 42.35 ATOM 1259 HA LYS 80 -14.547 -26.417 14.128 1.00 45.24 ATOM 1260 CB LYS 80 -13.737 -25.398 15.822 1.00 14.42 ATOM 1261 HB1 LYS 80 -12.872 -24.788 16.040 1.00 39.32 ATOM 1262 HB2 LYS 80 -13.645 -26.337 16.353 1.00 43.34 ATOM 1263 CG LYS 80 -14.974 -24.667 16.316 1.00 31.22 ATOM 1264 HG1 LYS 80 -15.845 -25.038 15.789 1.00 39.32 ATOM 1265 HG2 LYS 80 -14.852 -23.613 16.106 1.00 30.14 ATOM 1266 CD LYS 80 -15.185 -24.873 17.807 1.00 51.12 ATOM 1267 HD1 LYS 80 -14.231 -25.031 18.293 1.00 39.32 ATOM 1268 HD2 LYS 80 -15.810 -25.742 17.952 1.00 44.41 ATOM 1269 CE LYS 80 -15.855 -23.666 18.447 1.00 64.42 ATOM 1270 HE1 LYS 80 -16.490 -23.171 17.721 1.00 39.32 ATOM 1271 HE2 LYS 80 -15.090 -22.980 18.776 1.00 54.11 ATOM 1272 NZ LYS 80 -16.689 -24.052 19.619 1.00 42.33 ATOM 1273 HZ1 LYS 80 -17.439 -24.713 19.328 1.00 63.52 ATOM 1274 HZ2 LYS 80 -17.132 -23.207 20.032 1.00 2.51 ATOM 1275 HZ3 LYS 80 -16.101 -24.509 20.347 1.00 24.34 ATOM 1276 C LYS 80 -14.067 -24.421 13.543 1.00 61.20 ATOM 1277 O LYS 80 -15.224 -24.131 13.238 1.00 43.24 ATOM 1278 N VAL 81 -13.023 -23.663 13.223 1.00 23.42 ATOM 1279 HN VAL 81 -12.117 -23.935 13.501 1.00 39.32 ATOM 1280 CA VAL 81 -13.180 -22.420 12.478 1.00 61.33 ATOM 1281 HA VAL 81 -13.988 -21.851 12.927 1.00 34.32 ATOM 1282 CB VAL 81 -11.900 -21.566 12.535 1.00 43.30 ATOM 1283 HB VAL 81 -11.088 -22.134 12.101 1.00 55.23 ATOM 1284 CG1 VAL 81 -12.073 -20.289 11.726 1.00 62.53 ATOM 1285 HG11 VAL 81 -12.983 -19.784 12.022 1.00 20.25 ATOM 1286 HG12 VAL 81 -12.117 -20.528 10.678 1.00 72.11 ATOM 1287 HG13 VAL 81 -11.231 -19.631 11.897 1.00 73.30 ATOM 1288 CG2 VAL 81 -11.537 -21.247 13.977 1.00 24.04 ATOM 1289 HG21 VAL 81 -11.544 -20.176 14.144 1.00 51.34 ATOM 1290 HG22 VAL 81 -10.551 -21.620 14.180 1.00 72.23 ATOM 1291 HG23 VAL 81 -12.234 -21.711 14.663 1.00 41.15 ATOM 1292 C VAL 81 -13.530 -22.695 11.019 1.00 1.54 ATOM 1293 O VAL 81 -14.412 -22.052 10.451 1.00 50.20 ATOM 1294 N MET 82 -12.833 -23.654 10.420 1.00 44.24 ATOM 1295 HN MET 82 -12.138 -24.139 10.925 1.00 39.32 ATOM 1296 CA MET 82 -13.071 -24.015 9.027 1.00 52.41 ATOM 1297 HA MET 82 -13.264 -23.109 8.464 1.00 61.41 ATOM 1298 CB MET 82 -11.837 -24.699 8.436 1.00 2.33 ATOM 1299 HB1 MET 82 -12.016 -24.867 7.382 1.00 39.32 ATOM 1300 HB2 MET 82 -11.695 -25.655 8.926 1.00 64.23 ATOM 1301 CG MET 82 -10.558 -23.894 8.602 1.00 11.23 ATOM 1302 HG1 MET 82 -10.096 -24.168 9.535 1.00 39.32 ATOM 1303 HG2 MET 82 -10.794 -22.838 8.617 1.00 72.40 ATOM 1304 SD MET 82 -9.375 -24.188 7.274 1.00 24.42 ATOM 1305 CE MET 82 -10.079 -23.189 5.965 1.00 4.34 ATOM 1306 HE1 MET 82 -10.123 -22.158 6.283 1.00 71.31 ATOM 1307 HE2 MET 82 -11.076 -23.540 5.741 1.00 44.14 ATOM 1308 HE3 MET 82 -9.463 -23.267 5.082 1.00 71.05 ATOM 1309 C MET 82 -14.284 -24.932 8.903 1.00 25.00 ATOM 1310 O MET 82 -14.965 -24.939 7.878 1.00 23.11 ATOM 1311 N GLN 83 -14.546 -25.704 9.953 1.00 43.22 ATOM 1312 HN GLN 83 -13.966 -25.683 10.745 1.00 39.32 ATOM 1313 CA GLN 83 -15.676 -26.625 9.960 1.00 63.45 ATOM 1314 HA GLN 83 -15.613 -27.220 10.859 1.00 64.30 ATOM 1315 CB GLN 83 -16.994 -25.849 9.969 1.00 62.43 ATOM 1316 HB1 GLN 83 -17.808 -26.556 10.067 1.00 39.32 ATOM 1317 HB2 GLN 83 -17.102 -25.317 9.033 1.00 3.30 ATOM 1318 CG GLN 83 -17.097 -24.838 11.099 1.00 23.32 ATOM 1319 HG1 GLN 83 -16.412 -24.025 10.909 1.00 39.32 ATOM 1320 HG2 GLN 83 -16.832 -25.329 12.023 1.00 32.53 ATOM 1321 CD GLN 83 -18.497 -24.278 11.255 1.00 5.41 ATOM 1322 OE1 GLN 83 -19.248 -24.691 12.138 1.00 14.23 ATOM 1323 NE2 GLN 83 -18.854 -23.331 10.396 1.00 53.43 ATOM 1324 HE21 GLN 83 -18.211 -23.039 9.710 1.00 13.24 ATOM 1325 HE22 GLN 83 -19.755 -22.956 10.480 1.00 75.10 ATOM 1326 C GLN 83 -15.627 -27.555 8.751 1.00 14.31 ATOM 1327 O GLN 83 -16.605 -27.684 8.014 1.00 34.35 ATOM 1328 N LYS 84 -14.483 -28.200 8.552 1.00 1.25 ATOM 1329 HN LYS 84 -13.728 -28.058 9.168 1.00 39.32 ATOM 1330 CA LYS 84 -14.306 -29.118 7.434 1.00 20.41 ATOM 1331 HA LYS 84 -15.245 -29.210 6.900 1.00 22.44 ATOM 1332 CB LYS 84 -13.238 -28.587 6.475 1.00 73.00 ATOM 1333 HB1 LYS 84 -12.261 -28.943 6.783 1.00 39.32 ATOM 1334 HB2 LYS 84 -13.239 -27.505 6.518 1.00 60.43 ATOM 1335 CG LYS 84 -13.465 -28.991 5.028 1.00 11.44 ATOM 1336 HG1 LYS 84 -14.390 -28.550 4.684 1.00 39.32 ATOM 1337 HG2 LYS 84 -13.538 -30.070 4.978 1.00 54.24 ATOM 1338 CD LYS 84 -12.330 -28.522 4.134 1.00 3.31 ATOM 1339 HD1 LYS 84 -11.381 -28.733 4.612 1.00 39.32 ATOM 1340 HD2 LYS 84 -12.425 -27.458 3.979 1.00 12.33 ATOM 1341 CE LYS 84 -12.362 -29.217 2.782 1.00 64.41 ATOM 1342 HE1 LYS 84 -11.831 -28.602 2.070 1.00 39.32 ATOM 1343 HE2 LYS 84 -13.387 -29.333 2.454 1.00 21.14 ATOM 1344 NZ LYS 84 -11.712 -30.556 2.832 1.00 64.35 ATOM 1345 HZ1 LYS 84 -12.201 -31.171 3.516 1.00 42.42 ATOM 1346 HZ2 LYS 84 -10.715 -30.465 3.116 1.00 65.31 ATOM 1347 HZ3 LYS 84 -11.750 -31.004 1.894 1.00 24.22 ATOM 1348 C LYS 84 -13.915 -30.508 7.928 1.00 40.44 ATOM 1349 O LYS 84 -13.266 -31.271 7.212 1.00 0.02 ATOM 1350 N ASP 85 -14.315 -30.829 9.153 1.00 61.41 ATOM 1351 HN ASP 85 -14.837 -30.190 9.688 1.00 39.32 ATOM 1352 CA ASP 85 -14.008 -32.128 9.741 1.00 74.21 ATOM 1353 HA ASP 85 -13.674 -32.805 8.963 1.00 35.23 ATOM 1354 CB ASP 85 -12.908 -31.988 10.794 1.00 33.13 ATOM 1355 HB1 ASP 85 -12.910 -32.846 11.454 1.00 39.32 ATOM 1356 HB2 ASP 85 -13.082 -31.097 11.378 1.00 60.14 ATOM 1357 CG ASP 85 -11.526 -31.890 10.179 1.00 74.33 ATOM 1358 OD1 ASP 85 -10.551 -31.700 10.936 1.00 73.42 ATOM 1359 OD2 ASP 85 -11.420 -32.004 8.940 1.00 63.51 ATOM 1360 C ASP 85 -15.253 -32.749 10.367 1.00 14.30 ATOM 1361 O ASP 85 -15.166 -33.473 11.359 1.00 55.24 ATOM 1362 N SER 86 -16.411 -32.459 9.782 1.00 51.22 ATOM 1363 HN SER 86 -16.435 -31.895 8.979 1.00 39.32 ATOM 1364 HA SER 86 -18.465 -32.612 9.649 1.00 0.14 ATOM 1365 CB SER 86 -17.673 -34.513 10.233 1.00 63.30 ATOM 1366 HB1 SER 86 -17.187 -34.925 11.107 1.00 39.32 ATOM 1367 HB2 SER 86 -17.140 -34.837 9.350 1.00 74.43 ATOM 1368 OG SER 86 -18.993 -35.023 10.159 1.00 1.23 ATOM 1369 HG SER 86 -18.963 -35.962 9.960 1.00 12.33 ATOM 1370 CA SER 86 -17.675 -32.984 10.285 1.00 22.32 ATOM 1371 C SER 86 -17.928 -32.513 11.714 1.00 33.31 ATOM 1372 OT1 SER 86 -18.679 -31.526 11.866 1.00 39.32 ATOM 1373 OT2 SER 86 -17.390 -33.106 12.682 1.00 39.32 ATOM 1374 OH2 TIP3 1 -19.263 -37.083 2.571 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -19.301 -37.729 3.276 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -19.586 -37.549 1.800 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.557 -34.144 0.873 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.998 -34.864 1.323 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -15.570 -33.423 1.503 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.446 -29.039 1.085 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -17.826 -29.716 0.812 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.654 -29.257 1.993 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.874 -34.650 2.977 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -20.570 -35.336 2.383 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -20.152 -34.532 3.595 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -23.199 -35.561 4.939 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -23.939 -34.963 5.042 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -22.485 -35.007 4.623 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -24.791 -33.597 5.726 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -24.797 -32.718 5.348 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -25.645 -33.680 6.151 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -16.793 -30.523 -0.154 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.368 -31.230 -0.639 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -16.476 -29.722 -0.571 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -15.634 -32.622 -1.645 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -15.891 -33.312 -2.257 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -15.563 -33.065 -0.800 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -12.106 -37.716 4.898 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -12.758 -37.021 4.987 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -11.641 -37.506 4.088 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.172 -38.710 6.624 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.092 -37.947 7.196 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.773 -38.431 5.933 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.748 -31.982 3.806 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.989 -31.320 4.454 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -17.946 -32.816 4.231 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -23.177 -33.086 7.789 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -23.489 -32.304 8.245 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -23.827 -33.239 7.103 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -24.938 -31.014 8.553 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -24.930 -31.150 7.605 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -25.854 -31.132 8.805 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -20.414 -31.801 7.285 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -20.327 -30.975 7.760 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -21.278 -32.131 7.534 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.229 -28.949 -3.157 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.164 -28.849 -2.978 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -16.949 -29.658 -2.579 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -14.241 -39.882 8.889 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -14.648 -39.401 8.169 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -14.200 -40.787 8.582 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -16.484 -41.550 7.110 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -16.998 -41.676 7.907 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -16.639 -40.638 6.865 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -19.747 -39.250 9.194 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.310 -39.954 9.514 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -18.921 -39.370 9.661 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.581 -38.341 5.191 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.257 -38.972 4.548 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -19.021 -38.876 5.852 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -26.513 -35.033 9.124 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -25.780 -34.779 9.685 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -27.293 -34.829 9.639 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -14.163 -35.892 4.747 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -13.521 -35.435 4.204 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -14.993 -35.779 4.285 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -22.163 -37.752 9.258 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -22.459 -37.918 8.363 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -21.232 -37.972 9.248 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -13.516 -31.348 -4.020 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -13.889 -32.174 -3.710 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -13.239 -31.531 -4.917 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -16.356 -36.540 3.002 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -17.284 -36.772 2.975 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -15.905 -37.317 2.672 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -21.871 -30.400 5.026 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -21.508 -29.545 4.793 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -21.339 -30.692 5.767 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.327 -34.301 4.727 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.753 -34.528 5.553 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -17.746 -35.039 4.544 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -20.291 -40.409 6.610 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -20.172 -39.835 7.367 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -19.636 -41.097 6.725 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -24.087 -29.905 11.011 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -23.319 -30.364 11.352 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -24.108 -30.131 10.081 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -23.998 -38.805 7.139 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -24.616 -38.130 7.420 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -23.654 -38.484 6.306 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -21.664 -37.641 5.954 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -20.913 -37.797 5.381 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -22.003 -36.789 5.678 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.248 -39.826 10.982 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -17.056 -40.757 10.871 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -16.391 -39.401 10.972 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.176 -41.302 9.709 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -21.412 -41.522 10.611 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -21.959 -41.509 9.200 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.460 -42.175 8.785 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -19.408 -42.143 8.917 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -18.148 -42.800 9.439 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.367 -35.231 -3.534 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -11.517 -34.810 -3.406 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.362 -35.971 -2.926 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.330 -36.687 8.492 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -12.747 -37.421 8.683 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -12.766 -35.915 8.538 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -11.833 -38.784 9.176 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -12.696 -39.163 9.011 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -11.229 -39.523 9.102 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -14.944 -28.755 -1.036 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -14.291 -29.102 -1.644 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -14.433 -28.266 -0.390 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.294 -29.452 8.725 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.109 -29.786 9.603 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.447 -29.143 8.403 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.025 -28.107 4.019 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -20.482 -27.578 3.365 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -19.862 -27.504 4.744 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -12.964 -28.975 -3.028 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -13.158 -29.723 -3.593 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.003 -28.217 -3.612 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -18.196 -36.338 18.008 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -18.107 -35.394 17.876 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -18.835 -36.613 17.350 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -15.557 -34.144 19.729 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -15.998 -34.864 20.179 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -15.570 -33.423 20.359 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -18.446 -29.039 19.941 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -17.826 -29.716 19.668 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -18.654 -29.257 20.849 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.399 -33.737 17.051 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -18.695 -34.059 16.200 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.723 -32.837 17.093 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -15.045 -32.304 22.077 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -15.987 -32.246 22.238 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -14.769 -31.398 21.940 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -16.793 -30.523 18.702 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -16.368 -31.230 18.217 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -16.476 -29.722 18.285 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -15.634 -32.622 17.211 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -15.891 -33.312 16.599 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.563 -33.065 18.056 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -19.475 -37.094 15.460 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -20.187 -36.559 15.109 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.784 -37.038 14.800 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.421 -38.636 12.499 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -18.720 -38.614 13.150 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -19.119 -39.264 11.843 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -16.069 -36.884 16.412 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -16.801 -36.656 16.985 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -15.622 -37.598 16.867 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -17.748 -31.982 22.662 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -17.989 -31.320 23.310 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -17.946 -32.816 23.087 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -17.198 -37.722 14.097 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -16.619 -37.572 14.844 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -16.784 -37.251 13.374 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -19.472 -30.985 17.532 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -18.998 -30.690 18.310 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -20.035 -30.247 17.299 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.414 -31.801 26.141 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.327 -30.975 26.616 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -21.278 -32.131 26.390 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -20.000 -28.029 15.947 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -20.075 -28.150 15.001 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -19.967 -27.079 16.066 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -17.229 -28.949 15.699 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -18.164 -28.849 15.878 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -16.949 -29.658 16.277 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -18.849 -39.425 16.562 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -19.258 -38.610 16.270 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -18.129 -39.565 15.947 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -24.648 -39.590 12.881 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -25.190 -39.970 12.190 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -23.814 -39.396 12.452 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -21.313 -35.025 14.817 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -22.057 -35.532 14.494 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -21.447 -34.976 15.763 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -14.163 -35.892 23.603 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -13.521 -35.435 23.060 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -14.993 -35.779 23.141 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -17.415 -42.211 13.016 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -18.353 -42.099 12.865 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -17.118 -41.354 13.322 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.793 -34.841 26.054 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.139 -35.222 26.860 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -19.993 -33.907 26.125 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -16.697 -40.344 14.677 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -15.805 -40.481 14.996 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -16.640 -39.553 14.140 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -17.543 -32.379 26.004 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.444 -32.196 25.736 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -17.509 -32.120 26.925 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -11.848 -34.334 27.208 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.700 -34.096 26.841 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -11.258 -34.351 26.455 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -22.386 -34.549 17.567 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -22.627 -33.624 17.609 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -23.126 -35.008 17.963 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -23.702 -29.527 17.112 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -24.652 -29.422 17.164 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -23.351 -28.707 17.457 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -18.327 -34.301 23.583 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.753 -34.528 24.409 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -17.746 -35.039 23.400 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -23.096 -32.690 13.560 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -22.949 -33.210 14.350 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -23.099 -31.783 13.866 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -23.020 -29.949 14.291 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -22.859 -29.149 13.790 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -23.217 -29.642 15.176 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -26.027 -32.823 12.967 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -25.435 -32.124 13.243 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -25.568 -33.256 12.248 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -17.510 -31.525 28.596 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -17.861 -32.381 28.839 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -16.784 -31.382 29.203 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -24.436 -34.670 11.333 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -24.372 -35.464 11.864 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -23.783 -34.789 10.644 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -16.387 -35.128 26.017 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.642 -34.540 25.897 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -17.144 -34.546 26.080 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -23.287 -36.698 13.639 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -23.746 -37.182 14.325 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -23.032 -37.366 13.003 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -22.216 -38.455 11.902 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -22.396 -38.609 10.974 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -21.265 -38.347 11.946 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -15.932 -37.037 27.916 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -16.213 -36.328 27.338 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -14.989 -37.110 27.765 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -22.318 -27.764 12.903 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -21.385 -27.606 13.047 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -22.582 -27.089 12.278 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.668 -33.488 29.808 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -14.534 -33.593 30.202 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -13.292 -32.729 30.255 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -12.367 -35.231 15.322 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -11.517 -34.810 15.450 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.362 -35.971 15.930 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -11.973 -37.178 17.146 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -12.699 -37.657 17.544 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -11.392 -36.972 17.878 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -12.214 -34.393 22.094 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -11.380 -34.771 21.813 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -12.102 -33.450 21.975 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -11.705 -37.277 13.537 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -12.226 -36.920 12.818 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -11.738 -36.602 14.215 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -13.356 -40.037 12.088 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -13.259 -39.370 11.408 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -13.496 -40.853 11.606 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -13.330 -36.687 27.348 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -12.747 -37.421 27.539 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -12.766 -35.915 27.394 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -20.294 -29.452 27.581 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -20.109 -29.786 28.459 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -19.447 -29.143 27.259 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -17.949 -28.167 26.825 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -17.272 -28.799 26.585 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -17.627 -27.765 27.633 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -20.025 -28.107 22.875 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -20.482 -27.578 22.221 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.862 -27.504 23.600 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.698 -29.229 23.820 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -18.602 -29.064 23.554 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -17.269 -28.376 23.754 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.196 -36.338 36.864 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -18.107 -35.394 36.732 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -18.835 -36.613 36.206 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.557 -34.144 38.585 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.998 -34.864 39.035 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -15.570 -33.423 39.215 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.446 -29.039 38.797 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -17.826 -29.716 38.524 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.654 -29.257 39.705 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -18.399 -33.737 35.907 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -18.695 -34.059 35.056 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -18.723 -32.837 35.949 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -15.045 -32.304 40.933 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -15.987 -32.246 41.094 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -14.769 -31.398 40.796 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -16.069 -36.884 35.268 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.801 -36.656 35.841 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.622 -37.598 35.723 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.748 -31.982 41.518 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -17.989 -31.320 42.166 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.946 -32.816 41.943 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -19.472 -30.985 36.388 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -18.998 -30.690 37.166 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -20.035 -30.247 36.155 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -20.000 -28.029 34.803 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -20.075 -28.150 33.857 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -19.967 -27.079 34.922 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -16.898 -28.875 31.806 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.523 -29.619 31.335 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.894 -29.145 32.724 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -15.721 -36.689 30.583 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -15.679 -36.912 29.653 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -14.872 -36.291 30.773 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -19.187 -33.566 32.698 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.482 -32.740 33.080 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -19.890 -34.186 32.894 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.124 -33.372 31.513 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -15.771 -33.752 32.317 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.073 -33.465 31.599 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -15.258 -34.699 33.739 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -15.535 -35.427 34.295 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.331 -34.580 33.945 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -20.358 -30.992 33.165 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -21.175 -30.495 33.218 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -19.829 -30.517 32.525 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -14.398 -29.495 40.875 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.554 -28.817 40.218 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -13.466 -29.423 41.078 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -19.995 -30.397 30.098 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -20.639 -31.028 30.420 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -19.233 -30.928 29.866 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -19.084 -33.623 29.925 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -19.352 -33.443 30.826 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -19.290 -34.549 29.794 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -12.826 -36.100 30.203 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -13.099 -36.525 29.390 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -12.786 -35.169 29.986 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -11.682 -28.845 41.104 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -11.704 -28.660 42.043 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -10.992 -28.276 40.763 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -12.367 -35.231 34.178 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -11.517 -34.810 34.306 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -12.362 -35.971 34.786 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -11.973 -37.178 36.002 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -12.699 -37.657 36.400 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -11.392 -36.972 36.734 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -12.214 -34.393 40.950 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -11.380 -34.771 40.669 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -12.102 -33.450 40.831 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -13.727 -31.515 43.257 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.375 -31.190 43.882 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.245 -31.955 42.582 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -11.705 -37.277 32.393 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.226 -36.920 31.674 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -11.738 -36.602 33.071 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -19.673 -28.538 32.004 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -18.807 -28.172 31.826 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -19.920 -28.978 31.191 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.045 -13.448 -15.635 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.987 -13.390 -15.474 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -14.769 -12.542 -15.772 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -13.948 -15.200 -12.024 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -13.808 -15.791 -12.763 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -13.780 -14.327 -12.380 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -12.106 -18.860 -13.958 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.758 -18.165 -13.869 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -11.641 -18.650 -14.768 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -20.414 -12.945 -11.571 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -20.327 -12.119 -11.096 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -21.278 -13.275 -11.322 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -14.163 -17.036 -14.109 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -13.521 -16.579 -14.652 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -14.993 -16.923 -14.571 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -17.543 -13.523 -11.708 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -18.444 -13.340 -11.976 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -17.509 -13.264 -10.787 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.668 -10.893 -11.660 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.270 -11.448 -12.155 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.387 -10.226 -12.286 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.398 -10.639 -15.693 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.554 -9.961 -16.350 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -13.466 -10.567 -15.490 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -24.087 -11.049 -7.845 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -23.319 -11.508 -7.504 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -24.108 -11.275 -8.775 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -17.510 -12.669 -9.116 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -17.861 -13.525 -8.873 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -16.784 -12.526 -8.509 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -16.387 -16.272 -11.695 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -15.642 -15.684 -11.815 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -17.144 -15.690 -11.632 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.932 -18.181 -9.796 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.213 -17.472 -10.374 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -14.989 -18.254 -9.947 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -12.214 -15.537 -15.618 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -11.380 -15.915 -15.899 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -12.102 -14.594 -15.737 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -13.727 -12.659 -13.311 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -14.375 -12.334 -12.686 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.245 -13.099 -13.986 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -13.330 -17.831 -10.364 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -12.747 -18.565 -10.173 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -12.766 -17.059 -10.318 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -11.833 -19.928 -9.680 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -12.696 -20.307 -9.845 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -11.229 -20.667 -9.754 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -20.294 -10.596 -10.131 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -20.109 -10.930 -9.253 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -19.447 -10.287 -10.453 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -17.949 -9.311 -10.887 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.272 -9.943 -11.127 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -17.627 -8.909 -10.079 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -20.025 -9.251 -14.837 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -20.482 -8.722 -15.491 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -19.862 -8.648 -14.112 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -17.698 -10.373 -13.892 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -18.602 -10.208 -14.158 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -17.269 -9.520 -13.958 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -15.093 -8.803 -13.597 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -15.275 -7.887 -13.808 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -14.917 -9.213 -14.444 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -15.557 -15.288 0.873 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -15.998 -16.008 1.323 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.570 -14.567 1.503 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -18.446 -10.183 1.085 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -17.826 -10.860 0.812 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -18.654 -10.401 1.993 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.733 -21.400 3.305 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.590 -22.347 3.325 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -17.839 -21.193 2.376 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.399 -14.881 -1.805 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -18.695 -15.203 -2.656 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -18.723 -13.981 -1.763 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -15.092 -23.877 0.959 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -15.307 -24.643 1.491 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -14.436 -23.405 1.472 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -15.045 -13.448 3.221 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -15.987 -13.390 3.382 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -14.769 -12.542 3.084 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -21.742 -27.075 2.104 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -21.859 -28.024 2.050 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -22.597 -26.743 2.377 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -16.793 -11.667 -0.154 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.368 -12.374 -0.639 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.476 -10.866 -0.571 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -15.634 -13.766 -1.645 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -15.891 -14.456 -2.257 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -15.563 -14.209 -0.800 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -16.172 -19.854 6.624 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -16.092 -19.091 7.196 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -16.773 -19.575 5.933 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -19.472 -12.129 -1.324 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -18.998 -11.834 -0.546 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -20.035 -11.391 -1.557 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.721 -17.833 -7.129 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -15.679 -18.056 -8.059 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -14.872 -17.435 -6.939 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.581 -19.485 5.191 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.257 -20.116 4.548 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -19.021 -20.020 5.852 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.398 -24.323 3.239 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -18.075 -24.192 3.903 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -17.884 -24.478 2.429 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -14.111 -8.651 9.516 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -13.911 -8.227 8.681 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -13.455 -8.308 10.123 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -21.857 -22.382 4.276 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -22.692 -21.928 4.386 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -21.333 -22.106 5.028 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -21.313 -16.169 -4.039 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -22.057 -16.676 -4.362 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -21.447 -16.120 -3.093 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -14.163 -17.036 4.747 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -13.521 -16.579 4.204 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -14.993 -16.923 4.285 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -19.793 -15.985 7.198 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -20.139 -16.366 8.004 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -19.993 -15.051 7.269 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -19.187 -14.710 -5.014 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -19.482 -13.884 -4.632 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.890 -15.330 -4.818 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -22.163 -18.896 9.258 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -22.459 -19.062 8.363 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -21.232 -19.116 9.248 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.543 -13.523 7.148 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -18.444 -13.340 6.880 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -17.509 -13.264 8.069 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.356 -17.684 3.002 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -17.284 -17.916 2.975 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.905 -18.461 2.672 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -23.702 -10.671 -1.744 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -24.652 -10.566 -1.692 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -23.351 -9.851 -1.399 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -18.327 -15.445 4.727 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -18.753 -15.672 5.553 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -17.746 -16.183 4.544 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.124 -14.516 -6.199 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -15.771 -14.896 -5.395 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.073 -14.609 -6.113 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -15.668 -10.893 7.196 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -16.270 -11.448 6.701 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -15.387 -10.226 6.570 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -15.258 -15.843 -3.973 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -15.535 -16.571 -3.417 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -14.331 -15.724 -3.767 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -22.033 -13.404 -7.752 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -21.794 -14.152 -8.300 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -22.302 -13.792 -6.920 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -23.096 -13.834 -5.296 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -22.949 -14.354 -4.506 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -23.099 -12.927 -4.990 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -18.811 -23.919 5.493 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.113 -23.845 6.143 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -19.192 -24.783 5.648 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -20.291 -21.553 6.610 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -20.172 -20.979 7.367 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -19.636 -22.241 6.725 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -23.020 -11.093 -4.565 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -22.859 -10.293 -5.066 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -23.217 -10.786 -3.680 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -15.485 -19.895 1.541 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.282 -20.310 1.212 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.040 -20.586 2.032 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -14.398 -10.639 3.163 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -14.554 -9.961 2.506 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -13.466 -10.567 3.366 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -17.510 -12.669 9.740 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -17.861 -13.525 9.983 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -16.784 -12.526 10.347 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -22.122 -16.188 9.778 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -22.450 -15.917 8.920 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -21.970 -17.129 9.690 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -19.084 -14.767 -7.787 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.352 -14.587 -6.886 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -19.290 -15.693 -7.918 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -16.387 -16.272 7.161 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -15.642 -15.684 7.041 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -17.144 -15.690 7.224 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -23.998 -19.949 7.139 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -24.616 -19.274 7.420 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -23.654 -19.628 6.306 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.978 -17.478 10.417 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -18.025 -17.394 10.389 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -19.138 -18.189 11.036 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -12.826 -17.244 -7.509 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -13.099 -17.669 -8.322 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -12.786 -16.313 -7.726 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -23.658 -22.594 8.222 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -23.508 -23.323 7.619 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -23.656 -21.817 7.663 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -23.246 -24.224 5.714 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -22.710 -23.773 5.062 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -24.098 -24.332 5.292 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -21.664 -18.785 5.954 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -20.913 -18.941 5.381 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -22.003 -17.933 5.678 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -25.180 -21.396 10.133 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -25.947 -21.928 9.923 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -24.501 -21.706 9.534 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -22.440 -26.768 6.146 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -22.538 -25.821 6.040 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -23.183 -27.140 5.670 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -22.218 -27.474 8.817 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -21.506 -28.114 8.803 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -22.319 -27.207 7.903 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -22.318 -8.908 -5.953 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.385 -8.750 -5.809 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -22.582 -8.233 -6.578 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -12.119 -10.422 6.314 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -12.606 -11.157 5.943 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -11.570 -10.815 6.992 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -12.367 -16.375 -3.534 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -11.517 -15.954 -3.406 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -12.362 -17.115 -2.926 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -11.973 -18.322 -1.710 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -12.699 -18.801 -1.312 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -11.392 -18.116 -0.978 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -12.214 -15.537 3.238 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -11.380 -15.915 2.957 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -12.102 -14.594 3.119 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -13.727 -12.659 5.545 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -14.375 -12.334 6.170 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -14.245 -13.099 4.870 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -11.705 -18.421 -5.319 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -12.226 -18.064 -6.038 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -11.738 -17.746 -4.641 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.186 -19.801 -1.147 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.336 -20.746 -1.167 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.540 -19.520 -0.303 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -13.864 -21.637 2.751 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -12.931 -21.425 2.717 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -14.099 -21.535 3.674 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -13.862 -24.955 -2.636 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -13.680 -25.404 -1.811 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.462 -25.540 -3.100 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -17.949 -9.311 7.969 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.272 -9.943 7.729 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -17.627 -8.909 8.777 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -15.093 -8.803 5.259 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.275 -7.887 5.048 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -14.917 -9.213 4.412 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -19.601 -25.272 1.372 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -20.276 -25.901 1.627 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -19.037 -25.756 0.769 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -12.732 -26.026 -0.182 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -12.120 -26.540 -0.709 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -12.349 -25.148 -0.159 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -17.138 -26.681 0.656 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.062 -26.586 -0.293 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -17.414 -27.589 0.785 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.785 -26.655 -3.651 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -16.488 -26.041 -3.861 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -16.230 -27.493 -3.520 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -25.344 -26.773 10.247 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -24.445 -27.047 10.062 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -25.730 -27.516 10.711 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.196 -17.482 18.008 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.107 -16.538 17.876 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -18.835 -17.757 17.350 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -19.263 -18.227 21.427 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -19.301 -18.873 22.132 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -19.586 -18.693 20.656 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.557 -15.288 19.729 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -15.998 -16.008 20.179 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -15.570 -14.567 20.359 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -18.446 -10.183 19.941 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.826 -10.860 19.668 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -18.654 -10.401 20.849 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -24.578 -23.299 19.433 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -24.535 -22.439 19.015 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -25.036 -23.851 18.800 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -22.802 -19.352 19.411 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -22.186 -19.878 19.920 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -23.388 -19.992 19.007 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.399 -14.881 17.051 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -18.695 -15.203 16.200 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -18.723 -13.981 17.093 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -15.045 -13.448 22.077 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -15.987 -13.390 22.238 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -14.769 -12.542 21.940 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -21.742 -27.075 20.960 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -21.859 -28.024 20.906 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -22.597 -26.743 21.233 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -16.793 -11.667 18.702 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -16.368 -12.374 18.217 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -16.476 -10.866 18.285 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.634 -13.766 17.211 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.891 -14.456 16.599 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -15.563 -14.209 18.056 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -13.948 -15.200 25.688 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -13.808 -15.791 24.949 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -13.780 -14.327 25.332 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -19.475 -18.238 15.460 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -20.187 -17.703 15.109 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.784 -18.182 14.800 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -19.421 -19.780 12.499 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -18.720 -19.758 13.150 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.119 -20.408 11.843 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.069 -18.028 16.412 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.801 -17.800 16.985 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.622 -18.742 16.867 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -17.748 -13.126 22.662 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -17.989 -12.464 23.310 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -17.946 -13.960 23.087 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.198 -18.866 14.097 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -16.619 -18.716 14.844 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -16.784 -18.395 13.374 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -11.393 -12.519 27.265 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -11.442 -13.474 27.228 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -12.219 -12.251 27.667 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -16.898 -10.019 12.950 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -16.523 -10.763 12.479 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -16.894 -10.289 13.868 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.229 -10.093 15.699 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -18.164 -9.993 15.878 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.949 -10.802 16.277 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -19.810 -26.450 25.112 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -19.390 -26.865 25.865 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -20.743 -26.628 25.229 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -16.484 -22.694 25.966 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.998 -22.820 26.763 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -16.639 -21.782 25.721 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.849 -20.569 16.562 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.258 -19.754 16.270 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.129 -20.709 15.947 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -19.747 -20.394 28.050 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -20.310 -21.098 28.370 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.921 -20.514 28.517 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -23.266 -23.512 11.498 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -23.697 -23.957 12.228 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -23.984 -23.140 10.986 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -18.581 -19.485 24.047 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.257 -20.116 23.404 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -19.021 -20.020 24.708 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -21.803 -23.558 18.831 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -22.714 -23.501 19.120 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -21.298 -23.618 19.642 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -23.322 -21.929 15.314 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -22.390 -21.800 15.492 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -23.537 -21.259 14.665 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -24.648 -20.734 12.881 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -25.190 -21.114 12.190 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -23.814 -20.540 12.452 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -20.483 -20.770 20.718 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -19.919 -21.317 20.171 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -20.631 -21.292 21.507 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -25.481 -24.634 17.136 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -25.798 -25.536 17.101 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -24.700 -24.632 16.584 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -21.857 -22.382 23.132 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -22.692 -21.928 23.242 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -21.333 -22.106 23.884 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -19.793 -15.985 26.054 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -20.139 -16.366 26.860 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -19.993 -15.051 26.125 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -19.187 -14.710 13.842 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -19.482 -13.884 14.224 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -19.890 -15.330 14.038 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.543 -13.523 26.004 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -18.444 -13.340 25.736 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -17.509 -13.264 26.925 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -11.848 -15.478 27.208 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.700 -15.240 26.841 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -11.258 -15.495 26.455 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.327 -15.445 23.583 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -18.753 -15.672 24.409 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.746 -16.183 23.400 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -16.124 -14.516 12.657 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.771 -14.896 13.461 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -17.073 -14.609 12.743 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -15.258 -15.843 14.883 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.535 -16.571 15.439 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.331 -15.724 15.089 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -18.811 -23.919 24.349 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -18.113 -23.845 24.999 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -19.192 -24.783 24.504 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -20.827 -22.539 16.281 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -20.015 -22.035 16.327 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -21.072 -22.684 17.195 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -20.291 -21.553 25.466 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.172 -20.979 26.223 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -19.636 -22.241 25.581 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -19.943 -25.458 17.219 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -20.290 -24.840 17.864 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -19.285 -24.957 16.738 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -24.286 -24.395 13.907 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -24.369 -23.506 14.253 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -23.396 -24.660 14.138 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -14.398 -10.639 22.019 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.554 -9.961 21.362 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.466 -10.567 22.222 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.391 -11.724 11.476 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.108 -12.518 11.929 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.651 -11.491 10.915 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -19.084 -14.767 11.069 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -19.352 -14.587 11.970 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -19.290 -15.693 10.938 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -16.387 -16.272 26.017 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -15.642 -15.684 25.897 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.144 -15.690 26.080 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -23.287 -17.842 13.639 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -23.746 -18.326 14.325 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -23.032 -18.510 13.003 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -22.216 -19.599 11.902 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -22.396 -19.753 10.974 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -21.265 -19.491 11.946 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -18.978 -17.478 29.273 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -18.025 -17.394 29.245 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -19.138 -18.189 29.892 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -21.664 -18.785 24.810 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -20.913 -18.941 24.237 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -22.003 -17.933 24.534 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -17.248 -20.970 29.838 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.056 -21.901 29.727 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -16.391 -20.545 29.828 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -18.460 -23.319 27.641 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -19.408 -23.287 27.773 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -18.148 -23.944 28.295 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -11.682 -9.989 22.248 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -11.704 -9.804 23.187 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -10.992 -9.420 21.907 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.119 -10.422 25.170 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -12.606 -11.157 24.799 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -11.570 -10.815 25.848 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.668 -14.632 29.808 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.534 -14.737 30.202 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -13.292 -13.873 30.255 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -13.727 -12.659 24.401 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.375 -12.334 25.026 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.245 -13.099 23.726 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.093 -8.803 24.115 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.275 -7.887 23.904 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -14.917 -9.213 23.268 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -22.695 -26.711 17.863 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -21.821 -26.323 17.833 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -22.831 -26.926 18.786 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -26.577 -24.924 12.296 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -26.086 -25.554 11.768 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -25.954 -24.628 12.959 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -16.922 -27.441 29.285 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -16.846 -27.867 30.139 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.029 -27.427 28.943 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.211 -24.193 41.550 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -12.162 -23.583 42.286 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -11.785 -23.732 40.827 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -16.856 -23.168 36.690 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -16.210 -23.497 37.315 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -16.346 -22.650 36.067 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.092 -23.877 38.671 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.307 -24.643 39.203 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -14.436 -23.405 39.184 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -19.421 -19.780 31.355 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -18.720 -19.758 32.006 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -19.119 -20.408 30.699 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -16.069 -18.028 35.268 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -16.801 -17.800 35.841 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -15.622 -18.742 35.723 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -17.198 -18.866 32.953 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.619 -18.716 33.700 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -16.784 -18.395 32.230 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -12.310 -12.750 31.143 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -12.237 -11.811 31.313 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -11.405 -13.055 31.086 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -15.721 -17.833 30.583 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -15.679 -18.056 29.653 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -14.872 -17.435 30.773 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -20.148 -23.957 31.253 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -20.402 -23.938 32.176 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -20.405 -24.829 30.952 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -17.415 -23.355 31.872 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -18.353 -23.243 31.721 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.118 -22.498 32.178 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.697 -21.488 33.533 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -15.805 -21.625 33.852 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -16.640 -20.697 32.996 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -16.124 -14.516 31.513 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -15.771 -14.896 32.317 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -17.073 -14.609 31.599 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.258 -15.843 33.739 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -15.535 -16.571 34.295 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.331 -15.724 33.945 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -18.027 -24.267 34.302 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -17.807 -23.795 33.499 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -17.469 -23.872 34.973 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -19.943 -25.458 36.075 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -20.290 -24.840 36.720 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -19.285 -24.957 35.594 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.367 -16.375 34.178 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -11.517 -15.954 34.306 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -12.362 -17.115 34.786 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -11.973 -18.322 36.002 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -12.699 -18.801 36.400 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -11.392 -18.116 36.734 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -14.186 -19.801 36.565 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -14.336 -20.746 36.545 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -14.540 -19.520 37.409 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -14.476 -22.218 35.027 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -14.196 -23.125 35.152 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.717 -21.784 34.638 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -13.864 -21.637 40.463 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -12.931 -21.425 40.429 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -14.099 -21.535 41.386 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -14.459 -27.165 39.196 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -13.855 -26.617 38.695 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -15.328 -26.845 38.956 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -17.138 -26.681 38.368 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -17.062 -26.586 37.419 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -17.414 -27.589 38.497 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -15.785 -26.655 34.061 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -16.488 -26.041 33.851 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -16.230 -27.493 34.192 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -19.263 0.629 -16.285 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -19.301 -0.017 -15.580 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -19.586 0.163 -17.056 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -17.733 -2.544 -15.551 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -17.590 -3.491 -15.531 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -17.839 -2.337 -16.480 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.092 -5.021 -17.897 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.307 -5.787 -17.365 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -14.436 -4.549 -17.384 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -14.745 -6.306 -14.218 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.481 -5.695 -14.256 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.061 -5.891 -14.744 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -13.948 3.656 -12.024 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -13.808 3.065 -12.763 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -13.780 4.529 -12.380 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -19.810 -7.594 -12.600 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -19.390 -8.009 -11.847 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -20.743 -7.772 -12.483 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -17.845 -2.267 -18.336 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -18.040 -1.662 -19.051 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -17.663 -3.101 -18.771 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -18.581 -0.629 -13.665 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -18.257 -1.260 -14.308 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -19.021 -1.164 -13.004 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -17.398 -5.467 -15.617 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.075 -5.336 -14.953 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -17.884 -5.622 -16.427 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -20.483 -1.914 -16.994 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -19.919 -2.461 -17.541 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -20.631 -2.436 -16.205 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -21.857 -3.526 -14.580 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -22.692 -3.072 -14.470 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -21.333 -3.250 -13.828 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -14.163 1.820 -14.109 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -13.521 2.277 -14.652 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -14.993 1.933 -14.571 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -19.793 2.871 -11.658 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -20.139 2.490 -10.852 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -19.993 3.805 -11.587 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -22.163 -0.040 -9.598 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -22.459 -0.206 -10.493 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -21.232 -0.260 -9.608 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -11.848 3.378 -10.504 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -12.700 3.616 -10.871 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -11.258 3.361 -11.257 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -16.356 1.172 -15.854 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -17.284 0.940 -15.881 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -15.905 0.395 -16.184 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -18.327 3.411 -14.129 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -18.753 3.184 -13.303 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -17.746 2.673 -14.312 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -15.485 -1.039 -17.315 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -16.282 -1.454 -17.644 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -15.040 -1.730 -16.824 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -22.122 2.668 -9.078 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -22.450 2.939 -9.936 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -21.970 1.727 -9.166 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -16.387 2.584 -11.695 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -15.642 3.172 -11.815 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -17.144 3.166 -11.632 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -23.998 -1.093 -11.717 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -24.616 -0.418 -11.436 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -23.654 -0.772 -12.550 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -18.978 1.378 -8.439 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -18.025 1.462 -8.467 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -19.138 0.667 -7.820 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -23.658 -3.738 -10.634 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -23.508 -4.467 -11.237 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -23.656 -2.961 -11.193 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -23.246 -5.368 -13.142 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -22.710 -4.917 -13.794 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -24.098 -5.476 -13.564 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -21.664 0.071 -12.902 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -20.913 -0.085 -13.475 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -22.003 0.923 -13.178 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -22.440 -7.912 -12.710 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -22.538 -6.965 -12.816 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -23.183 -8.284 -13.186 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -21.176 -3.590 -9.147 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -21.412 -3.810 -8.245 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -21.959 -3.797 -9.656 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -22.218 -8.618 -10.039 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -21.506 -9.258 -10.053 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -22.319 -8.351 -10.953 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -21.865 -6.935 -7.985 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -21.996 -7.411 -8.806 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -22.464 -6.191 -8.041 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -13.668 4.224 -7.904 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -14.534 4.119 -7.510 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -13.292 4.983 -7.457 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -12.214 3.319 -15.618 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -11.380 2.941 -15.899 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -12.102 4.262 -15.737 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -13.330 1.025 -10.364 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -12.747 0.291 -10.173 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -12.766 1.797 -10.318 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -13.864 -2.781 -16.105 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -12.931 -2.569 -16.139 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -14.099 -2.679 -15.182 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -19.601 -6.416 -17.484 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -20.276 -7.045 -17.229 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -19.037 -6.900 -18.087 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -14.459 -8.309 -17.372 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -13.855 -7.761 -17.873 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -15.328 -7.989 -17.612 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -12.732 -7.170 -19.038 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -12.120 -7.684 -19.565 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -12.349 -6.292 -19.015 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -12.211 -5.337 3.838 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -12.162 -4.727 4.574 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -11.785 -4.876 3.115 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -17.733 -2.544 3.305 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -17.590 -3.491 3.325 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -17.839 -2.337 2.376 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -16.856 -4.312 -1.022 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -16.210 -4.641 -0.397 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -16.346 -3.794 -1.645 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -11.819 -3.859 6.074 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -12.508 -3.201 5.979 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -11.804 -4.056 7.011 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -14.745 -6.306 4.638 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.481 -5.695 4.600 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.061 -5.891 4.112 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -19.475 0.618 -3.396 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -20.187 1.153 -3.747 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -18.784 0.674 -4.056 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -19.421 -0.924 -6.357 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -18.720 -0.902 -5.706 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -19.119 -1.552 -7.013 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -12.106 -0.004 4.898 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.758 0.691 4.987 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.641 0.206 4.088 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -16.069 0.828 -2.444 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -16.801 1.056 -1.871 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -15.622 0.114 -1.989 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -17.198 -0.010 -4.759 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -16.619 0.140 -4.012 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -16.784 0.461 -5.482 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -15.721 1.023 -7.129 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -15.679 0.800 -8.059 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -14.872 1.421 -6.939 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -20.148 -5.101 -6.459 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -20.402 -5.082 -5.536 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -20.405 -5.973 -6.760 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -18.849 -1.713 -2.294 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -19.258 -0.898 -2.586 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -18.129 -1.853 -2.909 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -17.845 -2.267 0.520 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -18.040 -1.662 -0.195 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -17.663 -3.101 0.085 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -23.266 -4.656 -7.358 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -23.697 -5.101 -6.628 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -23.984 -4.284 -7.870 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -17.398 -5.467 3.239 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -18.075 -5.336 3.903 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -17.884 -5.622 2.429 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -16.124 4.340 -6.199 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -15.771 3.960 -5.395 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -17.073 4.247 -6.113 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -18.027 -5.411 -3.410 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -17.807 -4.939 -4.213 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -17.469 -5.016 -2.739 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -20.827 -3.683 -2.575 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -20.015 -3.179 -2.529 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -21.072 -3.828 -1.661 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -19.943 -6.602 -1.637 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -20.290 -5.984 -0.992 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -19.285 -6.101 -2.118 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -15.485 -1.039 1.541 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -16.282 -1.454 1.212 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -15.040 -1.730 2.032 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -19.084 4.089 -7.787 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -19.352 4.269 -6.886 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -19.290 3.163 -7.918 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -22.216 -0.743 -6.954 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -22.396 -0.897 -7.882 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -21.265 -0.635 -6.910 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -12.826 1.612 -7.509 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -13.099 1.187 -8.322 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -12.786 2.543 -7.726 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -12.367 2.481 -3.534 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -11.517 2.902 -3.406 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -12.362 1.741 -2.926 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -11.973 0.534 -1.710 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -12.699 0.055 -1.312 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.392 0.740 -0.978 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -11.705 0.435 -5.319 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -12.226 0.792 -6.038 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -11.738 1.110 -4.641 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -14.186 -0.945 -1.147 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -14.336 -1.890 -1.167 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -14.540 -0.664 -0.303 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -13.864 -2.781 2.751 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -12.931 -2.569 2.717 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -14.099 -2.679 3.674 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -13.835 -2.044 5.527 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -14.678 -1.776 5.893 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -13.392 -1.222 5.316 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -11.552 -8.064 10.881 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -11.202 -8.718 10.275 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -11.405 -7.227 10.441 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -12.032 -5.955 9.230 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -12.949 -5.684 9.194 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -11.909 -6.490 8.446 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -13.031 -7.865 7.049 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -13.844 -7.540 6.661 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -12.798 -8.625 6.516 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -19.601 -6.416 1.372 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -20.276 -7.045 1.627 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -19.037 -6.900 0.769 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -14.459 -8.309 1.484 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -13.855 -7.761 0.983 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -15.328 -7.989 1.244 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -22.695 -7.855 -0.993 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -21.821 -7.467 -1.023 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -22.831 -8.070 -0.070 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -17.138 -7.825 0.656 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -17.062 -7.730 -0.293 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -17.414 -8.733 0.785 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -21.551 -5.775 -4.103 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -21.373 -6.421 -3.420 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -21.605 -4.941 -3.636 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -16.922 -8.585 10.429 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -16.846 -9.011 11.283 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -16.029 -8.571 10.087 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -12.211 -5.337 22.694 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -12.162 -4.727 23.430 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -11.785 -4.876 21.971 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -15.092 -5.021 19.815 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -15.307 -5.787 20.347 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -14.436 -4.549 20.328 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.500 -8.260 13.910 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -14.399 -8.121 14.205 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -13.248 -7.429 13.508 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -14.108 -4.917 11.205 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -13.498 -5.289 11.842 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -14.945 -5.339 11.401 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -13.862 -6.099 16.220 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -13.680 -6.548 17.045 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -14.462 -6.684 15.756 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -11.996 -6.032 12.748 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.583 -6.753 12.272 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -11.314 -5.362 12.806 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -14.459 -8.309 20.340 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -13.855 -7.761 19.839 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -15.328 -7.989 20.100 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -12.732 -7.170 18.674 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -12.120 -7.684 18.147 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -12.349 -6.292 18.697 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -17.138 -7.825 19.512 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -17.062 -7.730 18.563 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -17.414 -8.733 19.641 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -15.785 -7.799 15.205 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -16.488 -7.185 14.995 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -16.230 -8.637 15.336 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -8.039 -37.468 4.164 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -7.997 -38.094 4.888 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -7.336 -36.845 4.346 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 3.299 -34.144 0.873 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 2.858 -34.864 1.323 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 3.286 -33.423 1.503 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -7.115 -33.018 2.699 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -7.485 -33.820 2.330 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -6.174 -33.187 2.746 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -9.795 -37.196 0.218 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -9.581 -37.966 0.745 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -9.057 -37.107 -0.385 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 0.410 -29.039 1.085 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 1.030 -29.716 0.812 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 0.202 -29.257 1.993 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -4.343 -35.561 4.939 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -5.083 -34.963 5.042 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -3.629 -35.007 4.623 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -5.935 -33.597 5.726 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -5.941 -32.718 5.348 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -6.789 -33.680 6.151 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -9.814 -33.926 -3.492 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -10.086 -33.697 -4.381 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -9.769 -33.088 -3.032 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 3.811 -32.304 3.221 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.869 -32.246 3.382 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 4.087 -31.398 3.084 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 2.063 -30.523 -0.154 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 2.488 -31.230 -0.639 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 2.380 -29.722 -0.571 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 4.908 -34.056 6.832 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 5.048 -34.647 6.093 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 5.076 -33.183 6.476 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -4.201 -32.826 2.120 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -4.296 -33.404 1.363 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -3.472 -33.197 2.616 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 1.108 -31.982 3.806 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 0.867 -31.320 4.454 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 0.910 -32.816 4.231 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -7.401 -36.888 7.018 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -7.331 -36.237 7.716 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -8.292 -36.785 6.683 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -10.485 -34.821 5.843 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -10.986 -34.849 5.028 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -10.479 -35.727 6.153 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 7.463 -31.375 8.409 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 7.414 -32.330 8.372 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 6.637 -31.107 8.811 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -7.490 -29.240 -1.128 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -7.338 -29.588 -0.249 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -8.341 -29.596 -1.383 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -8.236 -33.498 6.886 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -8.019 -33.859 7.746 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -9.091 -33.872 6.676 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -7.657 -35.033 9.124 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -6.924 -34.779 9.685 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -8.437 -34.829 9.639 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 4.693 -35.892 4.747 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 5.335 -35.435 4.204 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 3.863 -35.779 4.285 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -0.937 -34.841 7.198 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -1.283 -35.222 8.004 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -1.137 -33.907 7.269 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -7.332 -35.730 1.730 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -6.587 -35.732 1.129 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -7.254 -36.554 2.212 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -10.324 -37.269 7.045 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.101 -37.687 7.877 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -10.926 -37.882 6.623 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -3.307 -37.752 9.258 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -3.603 -37.918 8.363 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -2.376 -37.972 9.248 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 1.313 -32.379 7.148 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 0.412 -32.196 6.880 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 1.347 -32.120 8.069 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 7.008 -34.334 8.352 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 6.156 -34.096 7.985 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 7.598 -34.351 7.599 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -4.957 -32.212 -0.865 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -4.430 -31.439 -1.066 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -5.837 -31.987 -1.167 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -4.846 -29.527 -1.744 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -5.796 -29.422 -1.692 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -4.495 -28.707 -1.399 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 0.529 -34.301 4.727 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 0.103 -34.528 5.553 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 1.110 -35.039 4.544 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -9.117 -31.437 -1.939 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -9.949 -30.964 -1.912 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -8.571 -30.927 -2.538 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -3.266 -35.044 9.778 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -3.594 -34.773 8.920 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -3.114 -35.985 9.690 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 2.469 -35.128 7.161 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 3.214 -34.540 7.041 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 1.712 -34.546 7.224 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -9.089 -37.814 9.765 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -8.681 -38.671 9.644 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -9.349 -37.799 10.686 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -0.122 -36.334 10.417 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 0.831 -36.250 10.389 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -0.282 -37.045 11.036 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -11.245 -27.735 -1.393 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -11.892 -28.197 -1.926 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -10.890 -28.407 -0.810 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 7.174 -28.845 3.392 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 7.152 -28.660 4.331 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 7.864 -28.276 3.051 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 5.188 -33.488 10.952 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 4.322 -33.593 11.346 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 5.564 -32.729 11.399 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 6.642 -34.393 3.238 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 7.476 -34.771 2.957 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 6.754 -33.450 3.119 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -10.295 -36.579 2.863 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -10.111 -36.661 1.928 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -9.446 -36.703 3.287 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 3.912 -28.755 -1.036 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 4.565 -29.102 -1.644 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 4.423 -28.266 -0.390 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -5.749 -30.851 5.766 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -6.174 -30.042 5.483 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -4.844 -30.766 5.464 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -6.791 -30.262 1.379 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -7.010 -31.178 1.548 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -5.967 -30.122 1.845 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -4.254 -29.792 2.227 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -4.041 -30.680 1.940 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -4.189 -29.826 3.182 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -9.681 -29.748 -4.105 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -10.366 -29.786 -4.773 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -9.678 -28.835 -3.817 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 0.660 -36.338 18.008 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 0.749 -35.394 17.876 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 0.021 -36.613 17.350 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -8.039 -37.468 23.020 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -7.997 -38.094 23.744 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -7.336 -36.845 23.202 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 3.299 -34.144 19.729 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 2.858 -34.864 20.179 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 3.286 -33.423 20.359 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -9.795 -37.196 19.074 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -9.581 -37.966 19.601 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -9.057 -37.107 18.471 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 1.123 -40.256 22.161 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 1.266 -41.203 22.181 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 1.017 -40.049 21.232 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -3.946 -38.208 19.411 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -3.330 -38.734 19.920 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -4.532 -38.848 19.007 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -9.814 -33.926 15.364 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -10.086 -33.697 14.475 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -9.769 -33.088 15.824 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 3.811 -32.304 22.077 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 2.869 -32.246 22.238 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 4.087 -31.398 21.940 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 4.908 -34.056 25.688 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 5.048 -34.647 24.949 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 5.076 -33.183 25.332 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -0.619 -37.094 15.460 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -1.331 -36.559 15.109 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 0.072 -37.038 14.800 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -0.565 -38.636 12.499 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 0.136 -38.614 13.150 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -0.263 -39.264 11.843 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 2.787 -36.884 16.412 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 2.055 -36.656 16.985 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 3.234 -37.598 16.867 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -5.568 -36.254 18.295 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -5.898 -36.624 17.476 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -4.980 -36.924 18.641 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -5.201 -37.485 21.928 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -4.636 -37.364 21.165 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -4.882 -36.848 22.567 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 1.108 -31.982 22.662 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 0.867 -31.320 23.310 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 0.910 -32.816 23.087 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 1.658 -37.722 14.097 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 2.237 -37.572 14.844 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 2.072 -37.251 13.374 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -7.401 -36.888 25.874 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -7.331 -36.237 26.572 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -8.292 -36.785 25.539 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -6.578 -37.184 15.884 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -6.870 -36.416 15.393 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.252 -37.844 15.721 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 6.546 -31.606 12.287 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 6.619 -30.667 12.457 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 7.451 -31.911 12.230 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -10.485 -34.821 24.699 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -10.986 -34.849 23.884 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -10.479 -35.727 25.009 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 7.463 -31.375 27.265 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 7.414 -32.330 27.228 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 6.637 -31.107 27.667 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 3.135 -36.689 11.727 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 3.177 -36.912 10.797 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 3.984 -36.291 11.917 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -5.526 -40.062 22.833 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -6.168 -40.103 23.542 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -5.489 -39.136 22.595 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -5.529 -39.841 17.745 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -6.422 -40.182 17.686 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -5.078 -40.218 16.989 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.011 -39.979 19.376 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 0.816 -39.374 18.661 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 1.193 -40.813 18.941 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -7.776 -39.742 24.700 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -7.814 -39.342 25.568 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -8.267 -40.559 24.790 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 0.275 -38.341 24.047 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 0.599 -38.972 23.404 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -0.165 -38.876 24.708 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -7.657 -35.033 27.980 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -6.924 -34.779 28.541 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -8.437 -34.829 28.495 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.627 -39.626 20.718 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -1.063 -40.173 20.171 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -1.775 -40.148 21.507 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -3.001 -41.238 23.132 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -3.836 -40.784 23.242 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -2.477 -40.962 23.884 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -2.457 -35.025 14.817 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -3.201 -35.532 14.494 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -2.591 -34.976 15.763 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -0.937 -34.841 26.054 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -1.283 -35.222 26.860 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -1.137 -33.907 26.125 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -7.332 -35.730 20.586 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.587 -35.732 19.985 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -7.254 -36.554 21.068 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -10.324 -37.269 25.901 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -10.101 -37.687 26.733 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -10.926 -37.882 25.479 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -3.307 -37.752 28.114 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -3.603 -37.918 27.219 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -2.376 -37.972 28.104 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 1.313 -32.379 26.004 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 0.412 -32.196 25.736 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 1.347 -32.120 26.925 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 7.008 -34.334 27.208 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 6.156 -34.096 26.841 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 7.598 -34.351 26.455 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 5.340 -31.348 14.836 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 4.967 -32.174 15.146 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 5.617 -31.531 13.939 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 2.500 -36.540 21.858 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 1.572 -36.772 21.831 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 2.951 -37.317 21.528 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -9.202 -37.350 12.578 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -8.586 -36.723 12.957 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -10.064 -37.034 12.849 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 3.598 -34.699 14.883 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 3.321 -35.427 15.439 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 4.525 -34.580 15.089 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -7.787 -35.437 14.070 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -8.473 -35.085 14.637 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -7.264 -34.674 13.824 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -1.435 -40.409 25.466 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -1.316 -39.835 26.223 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -0.780 -41.097 25.581 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -7.171 -32.823 12.967 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -6.579 -32.124 13.243 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -6.712 -33.256 12.248 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.346 -31.525 28.596 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 0.995 -32.381 28.839 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 2.072 -31.382 29.203 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -9.921 -35.014 29.201 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -9.777 -35.916 28.915 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -10.694 -34.728 28.713 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -5.580 -34.670 11.333 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -5.516 -35.464 11.864 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -4.927 -34.789 10.644 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -0.228 -33.623 11.069 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -0.496 -33.443 11.970 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -0.434 -34.549 10.938 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 2.469 -35.128 26.017 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 3.214 -34.540 25.897 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 1.712 -34.546 26.080 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -9.089 -37.814 28.621 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -8.681 -38.671 28.500 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -9.349 -37.799 29.542 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -4.431 -36.698 13.639 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -4.890 -37.182 14.325 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -4.176 -37.366 13.003 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -5.142 -38.805 25.995 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -5.760 -38.130 26.276 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -4.798 -38.484 25.162 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -3.360 -38.455 11.902 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -3.540 -38.609 10.974 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -2.409 -38.347 11.946 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -0.122 -36.334 29.273 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 0.831 -36.250 29.245 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -0.282 -37.045 29.892 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -2.808 -37.641 24.810 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -2.057 -37.797 24.237 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -3.147 -36.789 24.534 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 5.188 -33.488 29.808 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 4.322 -33.593 30.202 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 5.564 -32.729 30.255 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 6.489 -35.231 15.322 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 7.339 -34.810 15.450 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 6.494 -35.971 15.930 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 6.642 -34.393 22.094 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 7.476 -34.771 21.813 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 6.754 -33.450 21.975 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 5.129 -31.515 24.401 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 4.481 -31.190 25.026 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 4.611 -31.955 23.726 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -10.295 -36.579 21.719 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -10.111 -36.661 20.784 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -9.446 -36.703 22.143 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 0.410 -29.039 38.797 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 1.030 -29.716 38.524 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 0.202 -29.257 39.705 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 0.457 -33.737 35.907 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 0.161 -34.059 35.056 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 0.133 -32.837 35.949 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -9.814 -33.926 34.220 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -10.086 -33.697 33.331 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -9.769 -33.088 34.680 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 2.063 -30.523 37.558 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 2.488 -31.230 37.073 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 2.380 -29.722 37.141 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 3.222 -32.622 36.067 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 2.965 -33.312 35.455 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 3.293 -33.065 36.912 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.616 -30.985 36.388 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.142 -30.690 37.166 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -1.179 -30.247 36.155 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -6.578 -37.184 34.740 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.870 -36.416 34.249 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.252 -37.844 34.577 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 6.546 -31.606 31.143 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 6.619 -30.667 31.313 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 7.451 -31.911 31.086 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -10.734 -32.041 40.439 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -9.788 -32.185 40.420 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -10.847 -31.257 40.976 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -2.457 -35.025 33.673 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -3.201 -35.532 33.350 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -2.591 -34.976 34.619 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -0.331 -33.566 32.698 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -0.626 -32.740 33.080 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.034 -34.186 32.894 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 5.340 -31.348 33.692 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 4.967 -32.174 34.002 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 5.617 -31.531 32.795 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -4.957 -32.212 36.847 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -4.430 -31.439 36.646 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -5.837 -31.987 36.545 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -9.202 -37.350 31.434 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -8.586 -36.723 31.813 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -10.064 -37.034 31.705 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -3.530 -34.549 36.423 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -3.771 -33.624 36.465 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -4.270 -35.008 36.819 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -4.846 -29.527 35.968 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -5.796 -29.422 36.020 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -4.495 -28.707 36.313 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 2.732 -33.372 31.513 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 3.085 -33.752 32.317 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 1.783 -33.465 31.599 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -7.787 -35.437 32.926 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -8.473 -35.085 33.493 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -7.264 -34.674 32.680 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -1.502 -30.992 33.165 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -2.319 -30.495 33.218 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -0.973 -30.517 32.525 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -9.117 -31.437 35.773 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -9.949 -30.964 35.800 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.571 -30.927 35.174 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 3.465 -30.580 30.332 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 3.748 -31.374 30.785 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 4.205 -30.347 29.771 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.228 -33.623 29.925 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -0.496 -33.443 30.826 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -0.434 -34.549 29.794 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -4.431 -36.698 32.495 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -4.890 -37.182 33.181 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -4.176 -37.366 31.859 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -3.360 -38.455 30.758 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -3.540 -38.609 29.830 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -2.409 -38.347 30.802 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 3.912 -28.755 36.676 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 4.565 -29.102 36.068 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 4.423 -28.266 37.322 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -8.932 -28.972 40.436 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -8.951 -29.397 41.293 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -8.127 -29.290 40.027 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -6.791 -30.262 39.091 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -7.010 -31.178 39.260 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -5.967 -30.122 39.557 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -4.254 -29.792 39.939 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.041 -30.680 39.652 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -4.189 -29.826 40.894 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 5.892 -28.975 34.684 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 5.698 -29.723 34.119 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 5.853 -28.217 34.100 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -0.407 -18.227 -16.285 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -0.445 -18.873 -15.580 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -0.730 -18.693 -17.056 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -8.039 -18.612 -14.692 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -7.997 -19.238 -13.968 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -7.336 -17.989 -14.510 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.795 -18.340 -18.638 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.581 -19.110 -18.111 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -9.057 -18.251 -19.241 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 0.410 -10.183 -17.771 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 1.030 -10.860 -18.044 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 0.202 -10.401 -16.863 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -3.946 -19.352 -18.301 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -3.330 -19.878 -17.792 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -4.532 -19.992 -18.705 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -9.814 -15.070 -22.348 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -10.086 -14.841 -23.237 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -9.769 -14.232 -21.888 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.684 -19.854 -12.232 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 2.764 -19.091 -11.660 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 2.083 -19.575 -12.923 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -5.568 -17.398 -19.417 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -5.898 -17.768 -20.236 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -4.980 -18.068 -19.071 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -5.201 -18.629 -15.784 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -4.636 -18.508 -16.547 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -4.882 -17.992 -15.145 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 1.108 -13.126 -15.050 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 0.867 -12.464 -14.402 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 0.910 -13.960 -14.625 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.401 -18.032 -11.838 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -7.331 -17.381 -11.140 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -8.292 -17.929 -12.173 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -0.616 -12.129 -20.180 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -0.142 -11.834 -19.402 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -1.179 -11.391 -20.413 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -10.485 -15.965 -13.013 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -10.986 -15.993 -13.828 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -10.479 -16.871 -12.703 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -7.490 -10.384 -19.984 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -7.338 -10.732 -19.105 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -8.341 -10.740 -20.239 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -5.526 -21.206 -14.879 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -6.168 -21.247 -14.170 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -5.489 -20.280 -15.117 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -0.891 -20.394 -9.662 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -1.454 -21.098 -9.342 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -0.065 -20.514 -9.195 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -7.776 -20.886 -13.012 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -7.814 -20.486 -12.144 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -8.267 -21.703 -12.922 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 0.275 -19.485 -13.665 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 0.599 -20.116 -14.308 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -0.165 -20.020 -13.004 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -7.657 -16.177 -9.732 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -6.924 -15.923 -9.171 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -8.437 -15.973 -9.217 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -1.627 -20.770 -16.994 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -1.063 -21.317 -17.541 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -1.775 -21.292 -16.205 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -3.001 -22.382 -14.580 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -3.836 -21.928 -14.470 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -2.477 -22.106 -13.828 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -7.332 -16.874 -17.126 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -6.587 -16.876 -17.727 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -7.254 -17.698 -16.644 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -10.324 -18.413 -11.811 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -10.101 -18.831 -10.979 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -10.926 -19.026 -12.233 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 1.313 -13.523 -11.708 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 0.412 -13.340 -11.976 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 1.347 -13.264 -10.787 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 2.500 -17.684 -15.854 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 1.572 -17.916 -15.881 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 2.951 -18.461 -16.184 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -4.957 -13.356 -19.721 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -4.430 -12.583 -19.922 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -5.837 -13.131 -20.023 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -3.530 -15.693 -20.145 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -3.771 -14.768 -20.103 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -4.270 -16.152 -19.749 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -4.846 -10.671 -20.600 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -5.796 -10.566 -20.548 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -4.495 -9.851 -20.255 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 0.529 -15.445 -14.129 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 0.103 -15.672 -13.303 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 1.110 -16.183 -14.312 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -1.435 -21.553 -12.246 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -1.316 -20.979 -11.489 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.780 -22.241 -12.131 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -9.117 -12.581 -20.795 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.949 -12.108 -20.768 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -8.571 -12.071 -21.394 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -5.231 -11.049 -7.845 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -4.463 -11.508 -7.504 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -5.252 -11.275 -8.775 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 1.346 -12.669 -9.116 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 0.995 -13.525 -8.873 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 2.072 -12.526 -8.509 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 2.469 -16.272 -11.695 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 3.214 -15.684 -11.815 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 1.712 -15.690 -11.632 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.089 -18.958 -9.091 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -8.681 -19.815 -9.212 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -9.349 -18.943 -8.170 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -5.142 -19.949 -11.717 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -5.760 -19.274 -11.436 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -4.798 -19.628 -12.550 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -0.122 -17.478 -8.439 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 0.831 -17.394 -8.467 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -0.282 -18.189 -7.820 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -4.802 -22.594 -10.634 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -4.652 -23.323 -11.237 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -4.800 -21.817 -11.193 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 1.608 -20.970 -7.874 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 1.800 -21.901 -7.985 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 2.465 -20.545 -7.884 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 2.924 -18.181 -9.796 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 2.643 -17.472 -10.374 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 3.867 -18.254 -9.947 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -6.324 -21.396 -8.723 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -7.091 -21.928 -8.933 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -5.645 -21.706 -9.322 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -2.320 -22.446 -9.147 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -2.556 -22.666 -8.245 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -3.103 -22.653 -9.656 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -11.245 -8.879 -20.249 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -11.892 -9.341 -20.782 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -10.890 -9.551 -19.666 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -10.375 -10.798 -18.444 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -10.709 -11.679 -18.272 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -10.153 -10.453 -17.580 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -10.295 -17.723 -15.993 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -10.111 -17.805 -16.928 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.446 -17.847 -15.569 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.438 -10.596 -10.131 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -1.253 -10.930 -9.253 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -0.591 -10.287 -10.453 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 0.907 -9.311 -10.887 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 1.584 -9.943 -11.127 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 1.229 -8.909 -10.079 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -1.169 -9.251 -14.837 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -1.626 -8.722 -15.491 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -1.006 -8.648 -14.112 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 1.158 -10.373 -13.892 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 0.254 -10.208 -14.158 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 1.587 -9.520 -13.958 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -9.681 -10.892 -22.961 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -10.366 -10.930 -23.629 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -9.678 -9.979 -22.673 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -10.505 -20.502 -1.908 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -10.953 -19.656 -1.926 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -11.066 -21.082 -2.423 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 0.410 -10.183 1.085 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 1.030 -10.860 0.812 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 0.202 -10.401 1.993 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 2.000 -23.168 -1.022 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.646 -23.497 -0.397 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 2.510 -22.650 -1.645 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 3.764 -23.877 0.959 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 3.549 -24.643 1.491 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 4.420 -23.405 1.472 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -9.814 -15.070 -3.492 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -10.086 -14.841 -4.381 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -9.769 -14.232 -3.032 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -0.565 -19.780 -6.357 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 0.136 -19.758 -5.706 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -0.263 -20.408 -7.013 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 1.658 -18.866 -4.759 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 2.237 -18.716 -4.012 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 2.072 -18.395 -5.482 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -6.578 -18.328 -2.972 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -6.870 -17.560 -3.463 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -7.252 -18.988 -3.135 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -1.144 -9.173 -2.909 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -1.219 -9.294 -3.855 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.111 -8.223 -2.790 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 1.627 -10.093 -3.157 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 0.692 -9.993 -2.978 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 1.907 -10.802 -2.579 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 3.135 -17.833 -7.129 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 3.177 -18.056 -8.059 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 3.984 -17.435 -6.939 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -1.292 -23.957 -6.459 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -1.546 -23.938 -5.536 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -1.549 -24.829 -6.760 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 1.011 -21.123 0.520 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 0.816 -20.518 -0.195 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 1.193 -21.957 0.085 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -11.168 -23.770 -0.306 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.537 -23.799 0.414 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -10.718 -24.195 -1.036 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -9.893 -23.024 -4.882 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -9.419 -22.433 -5.467 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -10.611 -22.493 -4.535 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -2.947 -23.558 -0.025 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -3.858 -23.501 0.264 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -2.442 -23.618 0.786 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -4.466 -21.929 -3.542 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -3.534 -21.800 -3.364 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -4.681 -21.259 -4.191 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -5.792 -20.734 -5.975 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -6.334 -21.114 -6.666 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -4.958 -20.540 -6.404 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 4.745 -8.651 9.516 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 4.945 -8.227 8.681 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 5.401 -8.308 10.123 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -1.627 -20.770 1.862 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -1.063 -21.317 1.315 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -1.775 -21.292 2.651 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -6.625 -24.634 -1.720 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -6.942 -25.536 -1.755 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -5.844 -24.632 -2.272 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 1.441 -23.355 -5.840 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 0.503 -23.243 -5.991 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 1.738 -22.498 -5.534 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 2.159 -21.488 -4.179 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 3.051 -21.625 -3.860 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.216 -20.697 -4.716 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 7.044 -21.278 -4.485 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 6.490 -21.674 -5.157 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 7.145 -20.368 -4.762 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 5.340 -12.492 -4.020 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 4.967 -13.318 -3.710 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 5.617 -12.675 -4.917 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -9.202 -18.494 -6.278 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -8.586 -17.867 -5.899 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -10.064 -18.178 -6.007 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 2.732 -14.516 -6.199 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 3.085 -14.896 -5.395 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 1.783 -14.609 -6.113 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 3.598 -15.843 -3.973 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 3.321 -16.571 -3.417 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 4.525 -15.724 -3.767 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -3.177 -13.404 -7.752 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -2.938 -14.152 -8.300 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -3.446 -13.792 -6.920 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -4.240 -13.834 -5.296 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -4.093 -14.354 -4.506 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -4.243 -12.927 -4.990 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -7.787 -16.581 -4.786 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -8.473 -16.229 -4.219 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -7.264 -15.818 -5.032 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 0.829 -24.267 -3.410 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 1.049 -23.795 -4.213 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 1.387 -23.872 -2.739 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -1.502 -12.136 -4.547 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -2.319 -11.639 -4.494 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -0.973 -11.661 -5.187 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.971 -22.539 -2.575 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -1.159 -22.035 -2.529 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -2.216 -22.684 -1.661 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -1.087 -25.458 -1.637 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -1.434 -24.840 -0.992 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -0.429 -24.957 -2.118 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -4.164 -11.093 -4.565 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -4.003 -10.293 -5.066 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -4.361 -10.786 -3.680 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -5.430 -24.395 -4.949 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -5.513 -23.506 -4.603 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -4.540 -24.660 -4.718 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -7.171 -13.967 -5.889 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -6.579 -13.268 -5.613 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -6.712 -14.400 -6.608 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 4.458 -10.639 3.163 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 4.302 -9.961 2.506 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 5.390 -10.567 3.366 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -1.139 -11.541 -7.614 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -1.783 -12.172 -7.292 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.377 -12.072 -7.846 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -5.580 -15.814 -7.523 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -5.516 -16.608 -6.992 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -4.927 -15.933 -8.212 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -0.228 -14.767 -7.787 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -0.496 -14.587 -6.886 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -0.434 -15.693 -7.918 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -3.360 -19.599 -6.954 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -3.540 -19.753 -7.882 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -2.409 -19.491 -6.910 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -3.462 -8.908 -5.953 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -2.529 -8.750 -5.809 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -3.726 -8.233 -6.578 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 7.174 -9.989 3.392 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 7.152 -9.804 4.331 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 7.864 -9.420 3.051 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 6.737 -10.422 6.314 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 6.250 -11.157 5.943 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 7.286 -10.815 6.992 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 6.489 -16.375 -3.534 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 7.339 -15.954 -3.406 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 6.494 -17.115 -2.926 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 6.883 -18.322 -1.710 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 6.157 -18.801 -1.312 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 7.464 -18.116 -0.978 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 7.151 -18.421 -5.319 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 6.630 -18.064 -6.038 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 7.118 -17.746 -4.641 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 4.380 -22.218 -2.685 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.660 -23.125 -2.560 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 5.139 -21.784 -3.074 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -10.859 -24.883 -2.981 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -11.784 -24.674 -3.111 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -10.405 -24.399 -3.671 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 3.912 -9.899 -1.036 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 4.565 -10.246 -1.644 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 4.423 -9.410 -0.390 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.907 -9.311 7.969 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.584 -9.943 7.729 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.229 -8.909 8.777 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -8.347 -8.739 5.813 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -9.067 -8.299 5.362 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -8.713 -8.990 6.662 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -1.169 -9.251 4.019 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -1.626 -8.722 3.365 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -1.006 -8.648 4.744 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 3.763 -8.803 5.259 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 3.581 -7.887 5.048 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 3.939 -9.213 4.412 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -0.745 -25.272 1.372 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -1.420 -25.901 1.627 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -0.181 -25.756 0.769 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 4.397 -27.165 1.484 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 5.001 -26.617 0.983 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 3.528 -26.845 1.244 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 6.124 -26.026 -0.182 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 6.736 -26.540 -0.709 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 6.507 -25.148 -0.159 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -8.419 -26.638 -0.806 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -9.196 -26.872 -1.314 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -7.888 -27.435 -0.798 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -3.839 -26.711 -0.993 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -2.965 -26.323 -1.023 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -3.975 -26.926 -0.070 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 1.718 -26.681 0.656 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 1.794 -26.586 -0.293 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 1.442 -27.589 0.785 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -2.695 -24.631 -4.103 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -2.517 -25.277 -3.420 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -2.749 -23.797 -3.636 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -0.817 -9.682 -5.708 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 0.049 -9.316 -5.886 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.064 -10.122 -6.521 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 5.892 -10.119 -3.028 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 5.698 -10.867 -3.593 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 5.853 -9.361 -3.612 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 6.750 -18.860 23.754 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 6.098 -18.165 23.843 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 7.215 -18.650 22.944 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -6.082 -12.158 27.409 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -6.074 -12.294 26.461 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -6.998 -12.276 27.661 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 7.463 -12.519 27.265 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 7.414 -13.474 27.228 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 6.637 -12.251 27.667 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -8.236 -14.642 25.742 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -8.019 -15.003 26.602 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -9.091 -15.016 25.532 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 4.745 -8.651 28.372 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 4.945 -8.227 27.537 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 5.401 -8.308 28.979 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 7.008 -15.478 27.208 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 6.156 -15.240 26.841 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 7.598 -15.495 26.455 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -9.039 -11.855 23.894 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -8.822 -12.787 23.863 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -8.792 -11.581 24.778 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -5.231 -11.049 29.867 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -4.463 -11.508 30.208 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -5.252 -11.275 28.937 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -3.462 -8.908 12.903 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -2.529 -8.750 13.047 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -3.726 -8.233 12.278 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 6.737 -10.422 25.170 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 6.250 -11.157 24.799 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 7.286 -10.815 25.848 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 5.188 -14.632 29.808 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 4.322 -14.737 30.202 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 5.564 -13.873 30.255 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 5.526 -17.831 27.348 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 6.109 -18.565 27.539 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 6.090 -17.059 27.394 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 7.023 -19.928 28.032 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 6.160 -20.307 27.867 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 7.627 -20.667 27.958 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -8.703 -12.970 28.363 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -9.524 -12.795 27.903 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -8.955 -13.043 29.284 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -5.749 -11.995 24.622 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -6.174 -11.186 24.339 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -4.844 -11.910 24.320 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -8.347 -8.739 24.669 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.067 -8.299 24.218 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -8.713 -8.990 25.518 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -5.880 -9.139 23.699 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -6.745 -9.067 24.103 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -5.935 -8.592 22.915 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.763 -8.803 24.115 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.581 -7.887 23.904 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 3.939 -9.213 23.268 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -8.932 -10.116 21.580 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -8.951 -10.541 22.437 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -8.127 -10.434 21.171 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 5.110 -11.368 27.978 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 4.328 -11.554 27.458 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 5.038 -10.439 28.195 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 0.660 -17.482 36.864 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 0.749 -16.538 36.732 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 0.021 -17.757 36.206 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -0.407 -18.227 40.283 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -0.445 -18.873 40.988 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -0.730 -18.693 39.512 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -10.505 -20.502 35.804 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -10.953 -19.656 35.786 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -11.066 -21.082 35.289 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -9.795 -18.340 37.930 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -9.581 -19.110 38.457 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -9.057 -18.251 37.327 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.123 -21.400 41.017 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 1.266 -22.347 41.037 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 1.017 -21.193 40.088 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -5.722 -23.299 38.289 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -5.679 -22.439 37.871 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -6.180 -23.851 37.656 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 2.000 -23.168 36.690 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 2.646 -23.497 37.315 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 2.510 -22.650 36.067 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -9.102 -20.902 39.051 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -8.448 -21.452 39.483 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -9.078 -21.176 38.135 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -3.946 -19.352 38.267 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -3.330 -19.878 38.776 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -4.532 -19.992 37.863 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -6.912 -24.381 42.363 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -7.131 -23.851 41.597 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -7.580 -24.154 43.011 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 0.457 -14.881 35.907 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 0.161 -15.203 35.056 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 0.133 -13.981 35.949 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 3.764 -23.877 38.671 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 3.549 -24.643 39.203 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 4.420 -23.405 39.184 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -7.318 -22.489 40.316 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -6.705 -21.856 40.689 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -6.806 -22.961 39.659 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.814 -15.070 34.220 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -10.086 -14.841 33.331 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -9.769 -14.232 34.680 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -2.886 -27.075 39.816 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -3.003 -28.024 39.762 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -3.741 -26.743 40.089 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 3.222 -13.766 36.067 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 2.965 -14.456 35.455 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 3.293 -14.209 36.912 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 2.787 -18.028 35.268 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 2.055 -17.800 35.841 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 3.234 -18.742 35.723 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -5.568 -17.398 37.151 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -5.898 -17.768 36.332 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -4.980 -18.068 37.497 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -5.201 -18.629 40.784 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -4.636 -18.508 40.021 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -4.882 -17.992 41.423 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.356 -27.116 32.766 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 4.457 -26.977 33.061 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.608 -26.285 32.364 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -6.578 -18.328 34.740 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -6.870 -17.560 34.249 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -7.252 -18.988 34.577 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 6.546 -12.750 31.143 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 6.619 -11.811 31.313 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 7.451 -13.055 31.086 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 1.958 -10.019 31.806 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 2.333 -10.763 31.335 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 1.962 -10.289 32.724 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -5.617 -26.172 40.594 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -6.478 -26.259 40.186 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -5.639 -25.316 41.021 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -5.526 -21.206 41.689 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -6.168 -21.247 42.398 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -5.489 -20.280 41.451 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 1.011 -21.123 38.232 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 0.816 -20.518 37.517 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 1.193 -21.957 37.797 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -8.119 -21.929 36.514 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -9.008 -21.829 36.174 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -7.823 -22.771 36.168 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -1.627 -20.770 39.574 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -1.063 -21.317 39.027 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -1.775 -21.292 40.363 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -3.001 -22.382 41.988 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -3.836 -21.928 42.098 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -2.477 -22.106 42.740 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.457 -16.169 33.673 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -3.201 -16.676 33.350 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -2.591 -16.120 34.619 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 2.159 -21.488 33.533 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 3.051 -21.625 33.852 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 2.216 -20.697 32.996 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -7.332 -16.874 39.442 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -6.587 -16.876 38.841 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -7.254 -17.698 39.924 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -0.331 -14.710 32.698 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -0.626 -13.884 33.080 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -1.034 -15.330 32.894 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 7.044 -21.278 33.227 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 6.490 -21.674 32.555 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 7.145 -20.368 32.950 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 5.340 -12.492 33.692 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 4.967 -13.318 34.002 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 5.617 -12.675 32.795 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -3.530 -15.693 36.423 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -3.771 -14.768 36.465 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -4.270 -16.152 36.819 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 3.598 -15.843 33.739 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 3.321 -16.571 34.295 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 4.525 -15.724 33.945 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -4.240 -13.834 32.416 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -4.093 -14.354 33.206 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -4.243 -12.927 32.722 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -1.502 -12.136 33.165 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -2.319 -11.639 33.218 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -0.973 -11.661 32.525 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -1.087 -25.458 36.075 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -1.434 -24.840 36.720 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.429 -24.957 35.594 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -4.164 -11.093 33.147 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -4.003 -10.293 32.646 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -4.361 -10.786 34.032 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.371 -19.895 39.253 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 2.574 -20.310 38.924 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.816 -20.586 39.744 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -7.171 -13.967 31.823 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -6.579 -13.268 32.099 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -6.712 -14.400 31.104 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -8.047 -26.521 39.612 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -8.276 -26.462 38.685 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -8.490 -27.313 39.919 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 3.465 -11.724 30.332 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 3.748 -12.518 30.785 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 4.205 -11.491 29.771 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -5.580 -15.814 30.189 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -5.516 -16.608 30.720 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -4.927 -15.933 29.500 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 6.030 -17.244 30.203 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 5.757 -17.669 29.390 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 6.070 -16.313 29.986 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -3.462 -8.908 31.759 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -2.529 -8.750 31.903 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -3.726 -8.233 31.134 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -9.894 -14.272 31.242 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -8.980 -14.193 31.515 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -9.887 -14.959 30.575 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 6.489 -16.375 34.178 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 7.339 -15.954 34.306 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 6.494 -17.115 34.786 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 7.151 -18.421 32.393 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 6.630 -18.064 31.674 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 7.118 -17.746 33.071 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 5.500 -21.181 30.944 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 5.597 -20.514 30.264 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 5.360 -21.997 30.462 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 4.670 -19.801 36.565 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 4.520 -20.746 36.545 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 4.316 -19.520 37.409 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 4.380 -22.218 35.027 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 4.660 -23.125 35.152 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 5.139 -21.784 34.638 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 4.994 -24.955 35.076 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 5.176 -25.404 35.901 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 4.394 -25.540 34.612 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -9.476 -24.140 39.607 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -9.031 -24.932 39.909 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -9.010 -23.424 40.038 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -11.172 -21.141 40.676 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -10.680 -21.362 39.886 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -10.810 -20.300 40.957 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -10.895 -26.145 43.075 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -11.560 -26.391 43.718 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -11.338 -25.523 42.498 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -0.745 -25.272 39.084 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -1.420 -25.901 39.339 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -0.181 -25.756 38.481 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 6.124 -26.026 37.530 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 6.736 -26.540 37.003 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 6.507 -25.148 37.553 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 1.718 -26.681 38.368 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 1.794 -26.586 37.419 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 1.442 -27.589 38.497 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.817 -9.682 32.004 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 0.049 -9.316 31.826 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -1.064 -10.122 31.191 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -8.039 0.244 -14.692 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -7.997 -0.382 -13.968 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -7.336 0.867 -14.510 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -10.505 -1.646 -20.764 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -10.953 -0.800 -20.782 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -11.066 -2.226 -21.279 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -9.795 0.516 -18.638 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -9.581 -0.254 -18.111 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -9.057 0.605 -19.241 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -5.722 -4.443 -18.279 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -5.679 -3.583 -18.697 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -6.180 -4.995 -18.912 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -9.102 -2.046 -17.517 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -8.448 -2.596 -17.085 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.078 -2.320 -18.433 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -3.946 -0.496 -18.301 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.330 -1.022 -17.792 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.532 -1.136 -18.705 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -4.343 2.151 -13.917 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -5.083 2.749 -13.814 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -3.629 2.705 -14.233 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -2.886 -8.219 -16.752 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -3.003 -9.168 -16.806 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -3.741 -7.887 -16.479 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -5.201 0.227 -15.784 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -4.636 0.348 -16.547 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -4.882 0.864 -15.145 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -7.401 0.824 -11.838 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -7.331 1.475 -11.140 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -8.292 0.927 -12.173 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.485 2.891 -13.013 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.986 2.863 -13.828 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -10.479 1.985 -12.703 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -8.236 4.214 -11.970 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -8.019 3.853 -11.110 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -9.091 3.840 -12.180 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -5.617 -7.316 -15.974 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -6.478 -7.403 -16.382 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -5.639 -6.460 -15.547 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -0.954 -7.594 -12.600 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -0.534 -8.009 -11.847 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -1.887 -7.772 -12.483 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -5.526 -2.350 -14.879 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -6.168 -2.391 -14.170 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -5.489 -1.424 -15.117 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.529 -2.129 -19.967 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.422 -2.470 -20.026 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -5.078 -2.506 -20.723 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -11.168 -4.914 -19.162 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -10.537 -4.943 -18.442 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -10.718 -5.339 -19.892 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -8.119 -3.073 -20.054 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -9.008 -2.973 -20.394 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -7.823 -3.915 -20.400 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -7.657 2.679 -9.732 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -6.924 2.933 -9.171 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -8.437 2.883 -9.217 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -6.625 -5.778 -20.576 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -6.942 -6.680 -20.611 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -5.844 -5.776 -21.128 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -3.001 -3.526 -14.580 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -3.836 -3.072 -14.470 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -2.477 -3.250 -13.828 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -7.332 1.982 -17.126 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -6.587 1.980 -17.727 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -7.254 1.158 -16.644 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -8.047 -7.665 -16.956 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -8.276 -7.606 -17.883 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.490 -8.457 -16.649 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -9.921 2.698 -8.511 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -9.777 1.796 -8.797 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -10.694 2.984 -8.999 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -9.089 -0.102 -9.091 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -8.681 -0.959 -9.212 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -9.349 -0.087 -8.170 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -5.142 -1.093 -11.717 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -5.760 -0.418 -11.436 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -4.798 -0.772 -12.550 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -4.802 -3.738 -10.634 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -4.652 -4.467 -11.237 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -4.800 -2.961 -11.193 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -4.390 -5.368 -13.142 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -3.854 -4.917 -13.794 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -5.242 -5.476 -13.564 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -2.808 0.071 -12.902 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -2.057 -0.085 -13.475 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -3.147 0.923 -13.178 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -6.324 -2.540 -8.723 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -7.091 -3.072 -8.933 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.645 -2.850 -9.322 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -2.320 -3.590 -9.147 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -2.556 -3.810 -8.245 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -3.103 -3.797 -9.656 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -3.362 -8.618 -10.039 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -2.650 -9.258 -10.053 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -3.463 -8.351 -10.953 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -3.009 -6.935 -7.985 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -3.140 -7.411 -8.806 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -3.608 -6.191 -8.041 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -10.295 1.133 -15.993 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -10.111 1.051 -16.928 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.446 1.009 -15.569 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -10.859 -6.027 -21.837 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -11.784 -5.818 -21.967 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -10.405 -5.543 -22.527 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -0.745 -6.416 -17.484 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -1.420 -7.045 -17.229 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -0.181 -6.900 -18.087 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -8.419 -7.782 -19.662 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -9.196 -8.016 -20.170 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -7.888 -8.579 -19.654 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -3.839 -7.855 -19.849 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -2.965 -7.467 -19.879 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -3.975 -8.070 -18.926 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -8.039 0.244 4.164 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.997 -0.382 4.888 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -7.336 0.867 4.346 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -9.795 0.516 0.218 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -9.581 -0.254 0.745 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -9.057 0.605 -0.385 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.722 -4.443 0.577 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -5.679 -3.583 0.159 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -6.180 -4.995 -0.056 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -3.946 -0.496 0.555 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -3.330 -1.022 1.064 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -4.532 -1.136 0.151 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -6.912 -5.525 4.651 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -7.131 -4.995 3.885 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.580 -5.298 5.299 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.318 -3.633 2.604 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -6.705 -3.000 2.977 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.806 -4.105 1.947 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 4.111 -6.306 4.638 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.375 -5.695 4.600 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 4.795 -5.891 4.112 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -6.578 0.528 -2.972 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -6.870 1.296 -3.463 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -7.252 -0.132 -3.135 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -0.954 -7.594 6.256 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.534 -8.009 7.009 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.887 -7.772 6.373 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -5.526 -2.350 3.977 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -6.168 -2.391 4.686 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -5.489 -1.424 3.739 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -5.529 -2.129 -1.111 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -6.422 -2.470 -1.170 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -5.078 -2.506 -1.867 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -7.776 -2.030 5.844 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -7.814 -1.630 6.712 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -8.267 -2.847 5.934 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -4.410 -4.656 -7.358 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -4.841 -5.101 -6.628 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.128 -4.284 -7.870 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -2.947 -4.702 -0.025 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -3.858 -4.645 0.264 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -2.442 -4.762 0.786 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -4.466 -3.073 -3.542 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -3.534 -2.944 -3.364 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -4.681 -2.403 -4.191 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 1.458 -5.467 3.239 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 0.781 -5.336 3.903 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 0.972 -5.622 2.429 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -5.792 -1.878 -5.975 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -6.334 -2.258 -6.666 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -4.958 -1.684 -6.404 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -3.001 -3.526 4.276 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -3.836 -3.072 4.386 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -2.477 -3.250 5.028 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -7.332 1.982 1.730 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -6.587 1.980 1.129 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -7.254 1.158 2.212 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -9.202 0.362 -6.278 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -8.586 0.989 -5.899 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -10.064 0.678 -6.007 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -8.690 -4.804 6.603 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -9.583 -4.465 6.536 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -8.789 -5.659 7.021 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -7.787 2.275 -4.786 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -8.473 2.627 -4.219 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -7.264 3.038 -5.032 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 0.045 -5.063 5.493 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 0.743 -4.989 6.143 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -0.336 -5.927 5.648 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -1.971 -3.683 -2.575 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -1.159 -3.179 -2.529 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -2.216 -3.828 -1.661 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -1.087 -6.602 -1.637 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -1.434 -5.984 -0.992 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -0.429 -6.101 -2.118 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -5.430 -5.539 -4.949 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -5.513 -4.650 -4.603 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.540 -5.804 -4.718 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -4.390 -5.368 5.714 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -3.854 -4.917 5.062 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -5.242 -5.476 5.292 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -3.584 -7.912 6.146 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.682 -6.965 6.040 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.327 -8.284 5.670 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 2.030 -5.829 10.790 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 1.933 -6.781 10.784 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 1.708 -5.560 11.651 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -8.143 -4.619 9.838 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -7.932 -5.326 9.227 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -8.255 -5.057 10.682 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -3.362 -8.618 8.817 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.650 -9.258 8.803 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -3.463 -8.351 7.903 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -3.009 -6.935 10.871 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -3.140 -7.411 10.050 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -3.608 -6.191 10.815 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -10.295 1.133 2.863 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -10.111 1.051 1.928 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -9.446 1.009 3.287 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.304 -8.064 10.881 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 7.654 -8.718 10.275 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 7.451 -7.227 10.441 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 6.824 -5.955 9.230 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 5.907 -5.684 9.194 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 6.947 -6.490 8.446 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -10.895 -7.289 5.363 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -11.560 -7.535 6.006 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -11.338 -6.667 4.786 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 5.825 -7.865 7.049 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 5.012 -7.540 6.661 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 6.058 -8.625 6.516 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -0.745 -6.416 1.372 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -1.420 -7.045 1.627 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -0.181 -6.900 0.769 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 4.397 -8.309 1.484 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 5.001 -7.761 0.983 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 3.528 -7.989 1.244 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 1.718 -7.825 0.656 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 1.794 -7.730 -0.293 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 1.442 -8.733 0.785 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -2.695 -5.775 -4.103 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -2.517 -6.421 -3.420 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -2.749 -4.941 -3.636 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -8.461 -7.268 8.711 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -8.827 -8.033 9.154 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -7.548 -7.239 8.998 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -6.488 -7.917 10.247 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -5.589 -8.191 10.062 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.874 -8.660 10.711 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 1.934 -8.585 10.429 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 2.010 -9.011 11.283 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 2.827 -8.571 10.087 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 6.645 -5.337 22.694 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 6.694 -4.727 23.430 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 7.071 -4.876 21.971 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 1.123 -2.544 22.161 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 1.266 -3.491 22.181 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 1.017 -2.337 21.232 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -5.722 -4.443 19.433 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -5.679 -3.583 19.015 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -6.180 -4.995 18.800 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 2.000 -4.312 17.834 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 2.646 -4.641 18.459 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 2.510 -3.794 17.211 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 7.037 -3.859 24.930 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 6.348 -3.201 24.835 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 7.052 -4.056 25.867 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -6.912 -5.525 23.507 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -7.131 -4.995 22.741 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -7.580 -5.298 24.155 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 3.764 -5.021 19.815 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 3.549 -5.787 20.347 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 4.420 -4.549 20.328 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -7.318 -3.633 21.460 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -6.705 -3.000 21.833 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -6.806 -4.105 20.803 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 4.111 -6.306 23.494 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 3.375 -5.695 23.456 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 4.795 -5.891 22.968 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 2.684 -0.998 25.480 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 2.764 -0.235 26.052 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 2.083 -0.719 24.789 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -5.617 -7.316 21.738 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -6.478 -7.403 21.330 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -5.639 -6.460 22.165 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 2.372 -3.838 25.966 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 1.858 -3.964 26.763 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 2.217 -2.926 25.721 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -1.292 -5.101 12.397 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -1.546 -5.082 13.320 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -1.549 -5.973 12.096 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -5.526 -2.350 22.833 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -6.168 -2.391 23.542 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -5.489 -1.424 22.595 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -0.891 -1.538 28.050 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -1.454 -2.242 28.370 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -0.065 -1.658 28.517 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 1.011 -2.267 19.376 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 0.816 -1.662 18.661 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 1.193 -3.101 18.941 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -11.168 -4.914 18.550 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -10.537 -4.943 19.270 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -10.718 -5.339 17.820 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -9.893 -4.168 13.974 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -9.419 -3.577 13.389 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -10.611 -3.637 14.321 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 0.275 -0.629 24.047 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 0.599 -1.260 23.404 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -0.165 -1.164 24.708 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -2.947 -4.702 18.831 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -3.858 -4.645 19.120 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -2.442 -4.762 19.642 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -1.627 -1.914 20.718 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -1.063 -2.461 20.171 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -1.775 -2.436 21.507 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -6.625 -5.778 17.136 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -6.942 -6.680 17.101 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -5.844 -5.776 16.584 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.001 -3.526 23.132 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -3.836 -3.072 23.242 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -2.477 -3.250 23.884 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.441 -4.499 13.016 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 0.503 -4.387 12.865 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 1.738 -3.642 13.322 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 2.159 -2.632 14.677 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 3.051 -2.769 14.996 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 2.216 -1.841 14.140 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 0.829 -5.411 15.446 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 1.049 -4.939 14.643 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 1.387 -5.016 16.117 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -1.971 -3.683 16.281 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -1.159 -3.179 16.327 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -2.216 -3.828 17.195 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -1.435 -2.697 25.466 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -1.316 -2.123 26.223 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -0.780 -3.385 25.581 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -1.087 -6.602 17.219 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -1.434 -5.984 17.864 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -0.429 -6.101 16.738 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -5.430 -5.539 13.907 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -5.513 -4.650 14.253 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -4.540 -5.804 14.138 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 4.769 -4.790 26.301 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 3.853 -4.527 26.213 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 5.105 -4.793 25.404 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -8.047 -7.665 20.756 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -8.276 -7.606 19.829 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -8.490 -8.457 21.063 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -4.802 -3.738 27.078 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -4.652 -4.467 26.475 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -4.800 -2.961 26.519 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -4.390 -5.368 24.570 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -3.854 -4.917 23.918 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -5.242 -5.476 24.148 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -2.320 -3.590 28.565 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -2.556 -3.810 29.467 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -3.103 -3.797 28.056 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 0.396 -4.463 27.641 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -0.552 -4.431 27.773 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 0.708 -5.088 28.295 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 2.030 -5.829 29.646 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 1.933 -6.781 29.640 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 1.708 -5.560 30.507 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -3.009 -6.935 29.727 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -3.140 -7.411 28.906 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -3.608 -6.191 29.671 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 4.748 -4.917 11.205 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 5.358 -5.289 11.842 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 3.911 -5.339 11.401 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 4.380 -3.362 16.171 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 4.660 -4.269 16.296 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 5.139 -2.928 15.782 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 4.992 -2.781 21.607 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 5.925 -2.569 21.573 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 4.757 -2.679 22.530 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 4.994 -6.099 16.220 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 5.176 -6.548 17.045 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 4.394 -6.684 15.756 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -9.476 -5.284 20.751 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -9.031 -6.076 21.053 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -9.010 -4.568 21.182 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 6.824 -5.955 28.086 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 5.907 -5.684 28.050 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 6.947 -6.490 27.302 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 6.860 -6.032 12.748 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 7.273 -6.753 12.272 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.542 -5.362 12.806 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -10.859 -6.027 15.875 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -11.784 -5.818 15.745 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -10.405 -5.543 15.185 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -10.895 -7.289 24.219 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -11.560 -7.535 24.862 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -11.338 -6.667 23.642 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 5.825 -7.865 25.905 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 5.012 -7.540 25.517 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 6.058 -8.625 25.372 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -8.419 -7.782 18.050 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -9.196 -8.016 17.542 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -7.888 -8.579 18.058 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -9.582 -7.984 13.853 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -9.143 -7.373 13.262 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -10.216 -7.446 14.327 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -7.721 -6.068 12.296 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -7.230 -6.698 11.768 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -7.098 -5.772 12.959 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -2.695 -5.775 14.753 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -2.517 -6.421 15.436 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -2.749 -4.941 15.220 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -8.461 -7.268 27.567 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -8.827 -8.033 28.010 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -7.548 -7.239 27.854 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -6.488 -7.917 29.103 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -5.589 -8.191 28.918 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -6.874 -8.660 29.567 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 1.934 -8.585 29.285 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 2.010 -9.011 30.139 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 2.827 -8.571 28.943 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -1.292 -5.101 31.253 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -1.546 -5.082 32.176 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -1.549 -5.973 30.952 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -4.410 -4.656 30.354 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -4.841 -5.101 31.084 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -5.128 -4.284 29.842 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 8.122 -32.041 2.727 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 9.068 -32.185 2.708 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 8.009 -31.257 3.264 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 9.817 -30.711 5.038 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 10.034 -31.643 5.007 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 10.064 -30.437 5.922 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 9.028 -28.824 9.391 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 9.568 -29.041 10.150 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.547 -29.630 9.201 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.153 -31.826 9.507 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.332 -31.651 9.047 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 9.901 -31.899 10.428 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 10.509 -27.595 5.813 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 9.789 -27.155 5.362 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 10.143 -27.846 6.662 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.924 -28.972 2.724 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 9.905 -29.397 3.581 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.729 -29.290 2.315 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.741 -33.018 21.555 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.371 -33.820 21.186 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 12.682 -33.187 21.602 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 12.921 -33.597 24.582 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 12.915 -32.718 24.204 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 12.067 -33.680 25.007 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 9.042 -33.926 15.364 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 8.770 -33.697 14.475 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 9.087 -33.088 15.824 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 14.535 -33.086 26.645 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 14.223 -32.304 27.101 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 13.885 -33.239 25.959 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 12.774 -31.014 27.409 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 12.782 -31.150 26.461 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 11.858 -31.132 27.661 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 8.371 -34.821 24.699 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 7.870 -34.849 23.884 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.377 -35.727 25.009 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 8.122 -32.041 21.583 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 9.068 -32.185 21.564 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 8.009 -31.257 22.120 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 11.366 -29.240 17.728 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 11.518 -29.588 18.607 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 10.515 -29.596 17.473 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 10.620 -33.498 25.742 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.837 -33.859 26.602 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 9.765 -33.872 25.532 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 15.841 -30.400 23.882 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 16.204 -29.545 23.649 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 16.373 -30.692 24.623 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 14.010 -29.527 17.112 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 13.060 -29.422 17.164 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 14.361 -28.707 17.457 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.739 -31.437 16.917 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 8.907 -30.964 16.944 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.285 -30.927 16.318 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.935 -35.014 29.201 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.079 -35.916 28.915 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.162 -34.728 28.713 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 8.962 -33.128 12.386 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 9.876 -33.049 12.659 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 8.969 -33.815 11.719 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 10.153 -31.826 28.363 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 9.332 -31.651 27.903 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.901 -31.899 29.284 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 13.107 -30.851 24.622 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 12.682 -30.042 24.339 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 14.012 -30.766 24.320 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 17.418 -29.452 27.581 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 17.603 -29.786 28.459 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 18.265 -29.143 27.259 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 12.976 -27.995 23.699 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 12.111 -27.923 24.103 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.921 -27.448 22.915 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 12.065 -30.262 20.235 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.846 -31.178 20.404 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 12.889 -30.122 20.701 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 14.602 -29.792 21.083 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 14.815 -30.680 20.796 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 14.667 -29.826 22.038 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 10.993 -28.828 11.776 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 10.725 -28.541 12.649 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 11.764 -29.374 11.928 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.042 -33.926 34.220 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.770 -33.697 33.331 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 9.087 -33.088 34.680 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 17.712 -28.029 34.803 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 17.637 -28.150 33.857 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 17.745 -27.079 34.922 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 11.366 -29.240 36.584 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 11.518 -29.588 37.463 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 10.515 -29.596 36.329 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 13.899 -32.212 36.847 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 14.426 -31.439 36.646 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.019 -31.987 36.545 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 14.010 -29.527 35.968 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 13.060 -29.422 36.020 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 14.361 -28.707 36.313 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 15.679 -32.260 29.960 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 15.918 -33.008 29.412 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 15.410 -32.648 30.792 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 14.616 -32.690 32.416 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 14.763 -33.210 33.206 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 14.613 -31.783 32.722 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 17.354 -30.992 33.165 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 16.537 -30.495 33.218 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 17.883 -30.517 32.525 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 14.692 -29.949 33.147 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 14.853 -29.149 32.646 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 14.495 -29.642 34.032 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 11.685 -32.823 31.823 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 12.277 -32.124 32.099 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.144 -33.256 31.104 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 9.739 -31.437 35.773 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 8.907 -30.964 35.800 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.285 -30.927 35.174 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 17.717 -30.397 30.098 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 17.073 -31.028 30.420 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 18.479 -30.928 29.866 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.276 -34.670 30.189 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.340 -35.464 30.720 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.929 -34.789 29.500 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.962 -33.128 31.242 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.876 -33.049 31.515 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.969 -33.815 30.575 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 7.611 -27.735 36.319 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 6.964 -28.197 35.786 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.966 -28.407 36.902 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.481 -29.654 38.124 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.147 -30.535 38.296 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.703 -29.309 38.988 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 18.039 -28.538 32.004 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 18.905 -28.172 31.826 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 17.792 -28.978 31.191 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.817 -18.612 4.164 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.859 -19.238 4.888 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.520 -17.989 4.346 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 11.741 -14.162 2.699 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 11.371 -14.964 2.330 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 12.682 -14.331 2.746 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 8.351 -20.502 -1.908 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 7.903 -19.656 -1.926 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 7.790 -21.082 -2.423 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 9.061 -18.340 0.218 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 9.275 -19.110 0.745 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 9.799 -18.251 -0.385 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 9.754 -20.902 1.339 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 10.408 -21.452 1.771 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 9.778 -21.176 0.423 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 11.944 -24.381 4.651 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.725 -23.851 3.885 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.276 -24.154 5.299 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 14.513 -16.705 4.939 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 13.773 -16.107 5.042 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 15.227 -16.151 4.623 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 11.538 -22.489 2.604 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.151 -21.856 2.977 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 12.050 -22.961 1.947 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 12.921 -14.741 5.726 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 12.915 -13.862 5.348 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 12.067 -14.824 6.151 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 9.042 -15.070 -3.492 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 8.770 -14.841 -4.381 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 9.087 -14.232 -3.032 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 13.655 -18.629 3.072 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 14.220 -18.508 2.309 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.974 -17.992 3.711 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 14.535 -14.230 7.789 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.223 -13.448 8.245 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.885 -14.383 7.103 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.455 -18.032 7.018 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.525 -17.381 7.716 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.564 -17.929 6.683 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 12.774 -12.158 8.553 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 12.782 -12.294 7.605 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 11.858 -12.276 8.805 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 8.122 -13.185 2.727 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.068 -13.329 2.708 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 8.009 -12.401 3.264 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.620 -14.642 6.886 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 10.837 -15.003 7.746 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 9.765 -15.016 6.676 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.330 -21.206 3.977 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 12.688 -21.247 4.686 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 13.367 -20.280 3.739 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 7.688 -23.770 -0.306 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 8.319 -23.799 0.414 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.138 -24.195 -1.036 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.199 -16.177 9.124 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.932 -15.923 9.685 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 10.419 -15.973 9.639 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 11.524 -16.874 1.730 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 12.269 -16.876 1.129 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 11.602 -17.698 2.212 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 15.549 -18.896 9.258 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.253 -19.062 8.363 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 16.480 -19.116 9.248 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 9.817 -11.855 5.038 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.034 -12.787 5.007 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.064 -11.581 5.922 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 9.739 -12.581 -1.939 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.907 -12.108 -1.912 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 10.285 -12.071 -2.538 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 9.028 -9.968 9.391 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.568 -10.185 10.150 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.547 -10.774 9.201 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 13.714 -19.949 7.139 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 13.096 -19.274 7.420 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 14.058 -19.628 6.306 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 14.054 -22.594 8.222 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 14.204 -23.323 7.619 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.056 -21.817 7.663 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 14.466 -24.224 5.714 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 15.002 -23.773 5.062 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 13.614 -24.332 5.292 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 16.536 -22.446 9.709 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 16.300 -22.666 10.611 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 15.753 -22.653 9.200 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 15.847 -25.791 10.871 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 15.716 -26.267 10.050 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 15.248 -25.047 10.815 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 7.611 -8.879 -1.393 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 6.964 -9.341 -1.926 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 7.966 -9.551 -0.810 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 8.481 -10.798 0.412 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 8.147 -11.679 0.584 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 8.703 -10.453 1.276 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.561 -17.723 2.863 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.745 -17.805 1.928 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.410 -17.847 3.287 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 9.380 -24.140 1.895 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 9.825 -24.932 2.197 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 9.846 -23.424 2.326 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 7.684 -21.141 2.964 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.176 -21.362 2.174 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.046 -20.300 3.245 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 7.961 -26.145 5.363 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.296 -26.391 6.006 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 7.518 -25.523 4.786 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 10.153 -12.970 9.507 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.332 -12.795 9.047 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 9.901 -13.043 10.428 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 10.395 -26.124 8.711 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.029 -26.889 9.154 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.308 -26.095 8.998 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.368 -26.773 10.247 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.267 -27.047 10.062 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 11.982 -27.516 10.711 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 11.741 -14.162 21.555 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 11.371 -14.964 21.186 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 12.682 -14.331 21.602 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.061 -18.340 19.074 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.275 -19.110 19.601 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.799 -18.251 18.471 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 13.134 -23.299 19.433 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 13.177 -22.439 19.015 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 12.676 -23.851 18.800 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.754 -20.902 20.195 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 10.408 -21.452 20.627 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.778 -21.176 19.279 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.944 -24.381 23.507 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 11.725 -23.851 22.741 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.276 -24.154 24.155 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 11.538 -22.489 21.460 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 12.151 -21.856 21.833 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 12.050 -22.961 20.803 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 13.288 -17.398 18.295 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 12.958 -17.768 17.476 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 13.876 -18.068 18.641 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.278 -18.328 15.884 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 11.986 -17.560 15.393 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.604 -18.988 15.721 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.371 -15.965 24.699 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.870 -15.993 23.884 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 8.377 -16.871 25.009 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 11.366 -10.384 17.728 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 11.518 -10.732 18.607 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 10.515 -10.740 17.473 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 10.620 -14.642 25.742 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.837 -15.003 26.602 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 9.765 -15.016 25.532 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 13.239 -26.172 21.738 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 12.378 -26.259 21.330 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 13.217 -25.316 22.165 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 17.902 -26.450 25.112 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 18.322 -26.865 25.865 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 16.969 -26.628 25.229 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 13.330 -21.206 22.833 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 12.688 -21.247 23.542 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 13.367 -20.280 22.595 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 13.327 -20.985 17.745 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 12.434 -21.326 17.686 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 13.778 -21.362 16.989 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 11.080 -20.886 24.700 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.042 -20.486 25.568 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 10.589 -21.703 24.790 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 14.446 -23.512 11.498 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 14.015 -23.957 12.228 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 13.728 -23.140 10.986 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 8.963 -23.024 13.974 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 9.437 -22.433 13.389 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.245 -22.493 14.321 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 10.737 -21.929 17.658 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.848 -21.829 17.318 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 11.033 -22.771 17.312 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 14.390 -21.929 15.314 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 15.322 -21.800 15.492 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 14.175 -21.259 14.665 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.064 -20.734 12.881 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 12.522 -21.114 12.190 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.898 -20.540 12.452 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 12.231 -24.634 17.136 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 11.914 -25.536 17.101 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 13.012 -24.632 16.584 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 11.524 -16.874 20.586 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 12.269 -16.876 19.985 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 11.602 -17.698 21.068 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 8.532 -18.413 25.901 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 8.755 -18.831 26.733 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.930 -19.026 25.479 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 14.010 -10.671 17.112 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 13.060 -10.566 17.164 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 14.361 -9.851 17.457 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 9.817 -11.855 23.894 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 10.034 -12.787 23.863 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.064 -11.581 24.778 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 11.069 -16.581 14.070 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 10.383 -16.229 14.637 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 11.592 -15.818 13.824 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 13.426 -24.395 13.907 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 13.343 -23.506 14.253 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 14.316 -24.660 14.138 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 11.685 -13.967 12.967 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.277 -13.268 13.243 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 12.144 -14.400 12.248 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 9.739 -12.581 16.917 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 8.907 -12.108 16.944 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 10.285 -12.071 16.318 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 9.028 -9.968 28.247 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 9.568 -10.185 29.006 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 8.547 -10.774 28.057 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.935 -16.158 29.201 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.079 -17.060 28.915 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.162 -15.872 28.713 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 13.276 -15.814 11.333 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 13.340 -16.608 11.864 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 13.929 -15.933 10.644 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.767 -18.958 28.621 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 10.175 -19.815 28.500 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 9.507 -18.943 29.542 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 14.425 -17.842 13.639 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.966 -18.326 14.325 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.680 -18.510 13.003 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 15.496 -19.599 11.902 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 15.316 -19.753 10.974 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 16.447 -19.491 11.946 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 14.054 -22.594 27.078 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 14.204 -23.323 26.475 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 14.056 -21.817 26.519 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 14.466 -24.224 24.570 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 15.002 -23.773 23.918 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 13.614 -24.332 24.148 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 12.532 -21.396 28.989 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 11.765 -21.928 28.779 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 13.211 -21.706 28.390 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 15.272 -26.768 25.002 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 15.174 -25.821 24.896 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 14.529 -27.140 24.526 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 16.536 -22.446 28.565 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 16.300 -22.666 29.467 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 15.753 -22.653 28.056 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 15.494 -27.474 27.673 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 16.206 -28.114 27.659 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 15.393 -27.207 26.759 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.561 -17.723 21.719 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.745 -17.805 20.784 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 9.410 -17.847 22.143 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 7.684 -21.141 21.820 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.176 -21.362 21.030 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 8.046 -20.300 22.101 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 10.153 -12.970 28.363 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 9.332 -12.795 27.903 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.901 -13.043 29.284 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 13.107 -11.995 24.622 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 12.682 -11.186 24.339 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 14.012 -11.910 24.320 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.509 -8.739 24.669 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.789 -8.299 24.218 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 10.143 -8.990 25.518 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 12.976 -9.139 23.699 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 12.111 -9.067 24.103 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 12.921 -8.592 22.915 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.065 -11.406 20.235 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 11.846 -12.322 20.404 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 12.889 -11.266 20.701 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 14.602 -10.936 21.083 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 14.815 -11.824 20.796 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 14.667 -10.970 22.038 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.437 -26.638 18.050 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.660 -26.872 17.542 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 10.968 -27.435 18.058 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 9.175 -10.892 14.751 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 8.490 -10.930 14.083 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 9.178 -9.979 15.039 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 11.135 -24.924 12.296 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 11.626 -25.554 11.768 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 11.758 -24.628 12.959 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 10.993 -9.972 11.776 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 10.725 -9.685 12.649 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 11.764 -10.518 11.928 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 17.564 -23.957 31.253 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 17.310 -23.938 32.176 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 17.307 -24.829 30.952 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 7.688 -23.770 37.406 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 8.319 -23.799 38.126 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 8.138 -24.195 36.676 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.963 -23.024 32.830 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.437 -22.433 32.245 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.245 -22.493 33.177 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 10.737 -21.929 36.514 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.848 -21.829 36.174 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 11.033 -22.771 36.168 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 14.390 -21.929 34.170 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 15.322 -21.800 34.348 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 14.175 -21.259 33.521 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.064 -20.734 31.737 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 12.522 -21.114 31.046 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.898 -20.540 31.308 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 12.231 -24.634 35.992 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 11.914 -25.536 35.957 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 13.012 -24.632 35.440 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.654 -18.494 31.434 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 10.270 -17.867 31.813 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.792 -18.178 31.705 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 16.885 -22.539 35.137 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 17.697 -22.035 35.183 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 16.640 -22.684 36.051 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 17.769 -25.458 36.075 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 17.422 -24.840 36.720 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 18.427 -24.957 35.594 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 10.001 -21.303 30.939 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 9.956 -20.364 31.118 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 9.113 -21.539 30.669 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 15.496 -19.599 30.758 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 15.316 -19.753 29.830 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 16.447 -19.491 30.802 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 7.997 -24.883 34.731 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 7.072 -24.674 34.601 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 8.451 -24.399 34.041 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 10.437 -26.638 36.906 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 9.660 -26.872 36.398 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 10.968 -27.435 36.914 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 15.017 -26.711 36.719 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 15.891 -26.323 36.689 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 14.881 -26.926 37.642 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 16.161 -24.631 33.609 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 16.339 -25.277 34.292 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 16.107 -23.797 34.076 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 10.395 -7.268 8.711 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 10.029 -8.033 9.154 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 11.308 -7.239 8.998 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 13.134 -4.443 19.433 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 13.177 -3.583 19.015 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 12.676 -4.995 18.800 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 9.754 -2.046 20.195 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 10.408 -2.596 20.627 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 9.778 -2.320 19.279 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 11.944 -5.525 23.507 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 11.725 -4.995 22.741 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 11.276 -5.298 24.155 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 11.538 -3.633 21.460 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 12.151 -3.000 21.833 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 12.050 -4.105 20.803 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 13.239 -7.316 21.738 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 12.378 -7.403 21.330 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 13.217 -6.460 22.165 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 7.688 -4.914 18.550 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 8.319 -4.943 19.270 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 8.138 -5.339 17.820 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 10.737 -3.073 17.658 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 9.848 -2.973 17.318 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 11.033 -3.915 17.312 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 12.231 -5.778 17.136 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 11.914 -6.680 17.101 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 13.012 -5.776 16.584 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 10.166 -4.804 25.459 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 9.273 -4.465 25.392 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 10.067 -5.659 25.877 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 9.380 -5.284 20.751 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 9.825 -6.076 21.053 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 9.846 -4.568 21.182 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 7.684 -2.285 21.820 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 8.176 -2.506 21.030 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 8.046 -1.444 22.101 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 7.997 -6.027 15.875 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.072 -5.818 15.745 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 8.451 -5.543 15.185 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 10.437 -7.782 18.050 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 9.660 -8.016 17.542 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 10.968 -8.579 18.058 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 9.274 -7.984 13.853 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 9.713 -7.373 13.262 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 8.640 -7.446 14.327 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 10.395 -7.268 27.567 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 10.029 -8.033 28.010 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 11.308 -7.239 27.854 0.00 0.00 WAT1 END