REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.572 -16.101 -6.170 1.00 65.23 ATOM 2 CB MET 1 6.996 -15.878 -4.115 1.00 43.34 ATOM 3 HB1 MET 1 7.664 -15.099 -3.770 1.00 37.60 ATOM 4 HB2 MET 1 6.800 -16.553 -3.294 1.00 64.33 ATOM 5 CG MET 1 5.684 -15.220 -4.511 1.00 43.22 ATOM 6 HG1 MET 1 4.985 -15.990 -4.804 1.00 37.60 ATOM 7 HG2 MET 1 5.864 -14.562 -5.349 1.00 44.20 ATOM 8 SD MET 1 4.957 -14.258 -3.170 1.00 62.24 ATOM 9 CE MET 1 3.278 -14.067 -3.763 1.00 50.42 ATOM 10 HE1 MET 1 3.288 -13.549 -4.711 1.00 2.52 ATOM 11 HE2 MET 1 2.706 -13.496 -3.046 1.00 22.23 ATOM 12 HE3 MET 1 2.828 -15.041 -3.890 1.00 23.42 ATOM 13 C MET 1 9.133 -16.877 -4.949 1.00 40.41 ATOM 14 O MET 1 9.607 -18.010 -4.884 1.00 42.11 ATOM 15 N MET 1 6.974 -17.941 -5.441 1.00 75.15 ATOM 16 HT1 MET 1 7.035 -18.527 -4.579 1.00 37.60 ATOM 17 HT2 MET 1 7.407 -18.466 -6.231 1.00 37.60 ATOM 18 HT3 MET 1 5.968 -17.786 -5.666 1.00 37.60 ATOM 19 CA MET 1 7.653 -16.665 -5.251 1.00 51.21 ATOM 20 N GLY 2 9.858 -15.777 -4.766 1.00 25.43 ATOM 21 HN GLY 2 9.445 -14.890 -4.851 1.00 37.60 ATOM 22 CA GLY 2 11.277 -15.865 -4.473 1.00 63.24 ATOM 23 HA1 GLY 2 11.467 -16.710 -3.821 1.00 37.60 ATOM 24 HA2 GLY 2 11.578 -14.962 -3.962 1.00 71.14 ATOM 25 C GLY 2 12.119 -16.013 -5.725 1.00 41.43 ATOM 26 O GLY 2 12.802 -17.021 -5.908 1.00 2.11 ATOM 27 N HIS 3 12.070 -15.006 -6.592 1.00 12.32 ATOM 28 HN HIS 3 11.505 -14.222 -6.393 1.00 37.60 ATOM 29 CA HIS 3 12.833 -15.028 -7.834 1.00 64.33 ATOM 30 HA HIS 3 13.125 -16.049 -8.055 1.00 74.32 ATOM 31 CB HIS 3 11.981 -14.507 -8.991 1.00 54.13 ATOM 32 HB1 HIS 3 12.607 -14.351 -9.862 1.00 37.60 ATOM 33 HB2 HIS 3 11.534 -13.567 -8.704 1.00 71.41 ATOM 34 CG HIS 3 10.878 -15.439 -9.391 1.00 25.24 ATOM 35 ND1 HIS 3 9.544 -15.100 -9.321 1.00 33.33 ATOM 36 HD1 HIS 3 9.187 -14.241 -9.012 1.00 33.20 ATOM 37 CD2 HIS 3 10.919 -16.705 -9.868 1.00 22.11 ATOM 38 HD2 HIS 3 11.808 -17.292 -10.052 1.00 63.42 ATOM 39 CE1 HIS 3 8.811 -16.118 -9.736 1.00 50.11 ATOM 40 HE1 HIS 3 7.733 -16.140 -9.791 1.00 31.33 ATOM 41 NE2 HIS 3 9.622 -17.104 -10.074 1.00 74.35 ATOM 42 HE2 HIS 3 9.338 -18.006 -10.330 1.00 37.60 ATOM 43 C HIS 3 14.104 -14.193 -7.707 1.00 32.14 ATOM 44 O HIS 3 15.140 -14.529 -8.281 1.00 41.42 ATOM 45 N HIS 4 14.016 -13.103 -6.950 1.00 64.34 ATOM 46 HN HIS 4 13.166 -12.870 -6.515 1.00 37.60 ATOM 47 CA HIS 4 15.159 -12.220 -6.748 1.00 1.24 ATOM 48 HA HIS 4 15.913 -12.432 -7.499 1.00 73.01 ATOM 49 CB HIS 4 14.732 -10.759 -6.890 1.00 44.50 ATOM 50 HB1 HIS 4 15.549 -10.112 -6.593 1.00 37.60 ATOM 51 HB2 HIS 4 13.885 -10.576 -6.247 1.00 22.00 ATOM 52 CG HIS 4 14.337 -10.383 -8.285 1.00 64.21 ATOM 53 ND1 HIS 4 13.078 -10.612 -8.798 1.00 62.42 ATOM 54 HD1 HIS 4 12.333 -11.031 -8.320 1.00 45.15 ATOM 55 CD2 HIS 4 15.043 -9.789 -9.276 1.00 23.43 ATOM 56 HD2 HIS 4 16.073 -9.466 -9.224 1.00 10.11 ATOM 57 CE1 HIS 4 13.027 -10.178 -10.045 1.00 2.54 ATOM 58 HE1 HIS 4 12.167 -10.226 -10.697 1.00 73.33 ATOM 59 NE2 HIS 4 14.207 -9.673 -10.358 1.00 72.05 ATOM 60 HE2 HIS 4 14.470 -9.361 -11.249 1.00 37.60 ATOM 61 C HIS 4 15.785 -12.448 -5.375 1.00 42.20 ATOM 62 O HIS 4 17.003 -12.580 -5.251 1.00 62.22 ATOM 63 N HIS 5 14.944 -12.492 -4.346 1.00 45.13 ATOM 64 HN HIS 5 13.976 -12.384 -4.505 1.00 37.60 ATOM 65 CA HIS 5 15.416 -12.704 -2.982 1.00 51.33 ATOM 66 HA HIS 5 16.331 -12.138 -2.842 1.00 21.33 ATOM 67 CB HIS 5 14.372 -12.214 -1.978 1.00 4.22 ATOM 68 HB1 HIS 5 14.618 -12.579 -0.988 1.00 37.60 ATOM 69 HB2 HIS 5 13.402 -12.592 -2.262 1.00 3.54 ATOM 70 CG HIS 5 14.275 -10.722 -1.895 1.00 3.43 ATOM 71 ND1 HIS 5 13.514 -10.068 -0.948 1.00 65.51 ATOM 72 HD1 HIS 5 12.973 -10.497 -0.252 1.00 43.44 ATOM 73 CD2 HIS 5 14.850 -9.754 -2.646 1.00 43.32 ATOM 74 HD2 HIS 5 15.516 -9.904 -3.484 1.00 3.23 ATOM 75 CE1 HIS 5 13.624 -8.764 -1.122 1.00 42.51 ATOM 76 HE1 HIS 5 13.139 -8.004 -0.527 1.00 71.44 ATOM 77 NE2 HIS 5 14.430 -8.546 -2.146 1.00 53.00 ATOM 78 HE2 HIS 5 14.761 -7.668 -2.427 1.00 37.60 ATOM 79 C HIS 5 15.723 -14.178 -2.736 1.00 43.34 ATOM 80 O HIS 5 15.376 -15.038 -3.546 1.00 63.31 ATOM 81 N HIS 6 16.377 -14.462 -1.614 1.00 50.14 ATOM 82 HN HIS 6 16.601 -13.735 -0.990 1.00 37.60 ATOM 83 CA HIS 6 16.731 -15.832 -1.262 1.00 63.32 ATOM 84 HA HIS 6 16.518 -16.483 -2.102 1.00 70.23 ATOM 85 CB HIS 6 18.225 -15.931 -0.951 1.00 30.21 ATOM 86 HB1 HIS 6 18.779 -15.801 -1.870 1.00 37.60 ATOM 87 HB2 HIS 6 18.450 -16.908 -0.543 1.00 63.11 ATOM 88 CG HIS 6 18.703 -14.901 0.026 1.00 52.14 ATOM 89 ND1 HIS 6 18.132 -14.719 1.267 1.00 14.23 ATOM 90 HD1 HIS 6 17.386 -15.221 1.635 1.00 64.52 ATOM 91 CD2 HIS 6 19.705 -13.996 -0.062 1.00 43.32 ATOM 92 HD2 HIS 6 20.369 -13.855 -0.903 1.00 3.13 ATOM 93 CE1 HIS 6 18.761 -13.745 1.900 1.00 11.14 ATOM 94 HE1 HIS 6 18.531 -13.383 2.891 1.00 0.32 ATOM 95 NE2 HIS 6 19.721 -13.290 1.115 1.00 14.54 ATOM 96 HE2 HIS 6 20.401 -12.634 1.376 1.00 37.60 ATOM 97 C HIS 6 15.917 -16.313 -0.065 1.00 21.40 ATOM 98 O HIS 6 15.455 -15.511 0.747 1.00 23.44 ATOM 99 N HIS 7 15.744 -17.627 0.037 1.00 21.44 ATOM 100 HN HIS 7 16.149 -18.222 -0.639 1.00 37.60 ATOM 101 CA HIS 7 14.985 -18.215 1.136 1.00 62.34 ATOM 102 HA HIS 7 14.134 -17.575 1.347 1.00 11.33 ATOM 103 CB HIS 7 14.461 -19.596 0.740 1.00 40.15 ATOM 104 HB1 HIS 7 15.294 -20.219 0.444 1.00 37.60 ATOM 105 HB2 HIS 7 13.786 -19.489 -0.096 1.00 31.34 ATOM 106 CG HIS 7 13.721 -20.294 1.839 1.00 52.52 ATOM 107 ND1 HIS 7 12.502 -19.861 2.318 1.00 61.32 ATOM 108 HD1 HIS 7 12.008 -19.076 2.001 1.00 5.31 ATOM 109 CD2 HIS 7 14.033 -21.401 2.552 1.00 14.45 ATOM 110 HD2 HIS 7 14.923 -22.005 2.442 1.00 53.41 ATOM 111 CE1 HIS 7 12.097 -20.671 3.280 1.00 62.23 ATOM 112 HE1 HIS 7 11.177 -20.579 3.838 1.00 62.22 ATOM 113 NE2 HIS 7 13.008 -21.614 3.441 1.00 31.23 ATOM 114 HE2 HIS 7 13.000 -22.293 4.148 1.00 37.60 ATOM 115 C HIS 7 15.844 -18.325 2.392 1.00 71.22 ATOM 116 O HIS 7 16.518 -19.333 2.610 1.00 54.15 ATOM 117 N HIS 8 15.816 -17.282 3.215 1.00 32.13 ATOM 118 HN HIS 8 15.256 -16.501 2.997 1.00 37.60 ATOM 119 CA HIS 8 16.592 -17.262 4.450 1.00 10.31 ATOM 120 HA HIS 8 17.203 -18.160 4.490 1.00 43.12 ATOM 121 CB HIS 8 17.517 -16.045 4.476 1.00 52.51 ATOM 122 HB1 HIS 8 16.965 -15.161 4.770 1.00 37.60 ATOM 123 HB2 HIS 8 17.919 -15.896 3.492 1.00 73.04 ATOM 124 CG HIS 8 18.685 -16.199 5.400 1.00 22.51 ATOM 125 ND1 HIS 8 19.813 -16.923 5.073 1.00 14.02 ATOM 126 HD1 HIS 8 19.964 -17.397 4.229 1.00 70.02 ATOM 127 CD2 HIS 8 18.898 -15.717 6.647 1.00 73.50 ATOM 128 HD2 HIS 8 18.219 -15.102 7.221 1.00 41.22 ATOM 129 CE1 HIS 8 20.667 -16.881 6.080 1.00 43.24 ATOM 130 HE1 HIS 8 21.636 -17.358 6.107 1.00 14.43 ATOM 131 NE2 HIS 8 20.136 -16.155 7.047 1.00 23.00 ATOM 132 HE2 HIS 8 20.519 -16.038 7.941 1.00 37.60 ATOM 133 C HIS 8 15.674 -17.244 5.669 1.00 50.14 ATOM 134 O HIS 8 14.720 -16.469 5.728 1.00 53.53 ATOM 135 N SER 9 15.969 -18.104 6.638 1.00 11.34 ATOM 136 HN SER 9 16.756 -18.693 6.540 1.00 37.60 ATOM 137 CA SER 9 15.167 -18.190 7.854 1.00 44.25 ATOM 138 HA SER 9 14.121 -18.228 7.570 1.00 33.34 ATOM 139 CB SER 9 15.506 -19.468 8.624 1.00 51.43 ATOM 140 HB1 SER 9 15.354 -20.322 7.981 1.00 37.60 ATOM 141 HB2 SER 9 14.863 -19.552 9.489 1.00 25.24 ATOM 142 OG SER 9 16.855 -19.459 9.057 1.00 21.52 ATOM 143 HG SER 9 17.066 -20.302 9.464 1.00 25.02 ATOM 144 C SER 9 15.396 -16.971 8.743 1.00 71.15 ATOM 145 O SER 9 16.280 -16.970 9.600 1.00 61.43 ATOM 146 N HIS 10 14.592 -15.934 8.532 1.00 40.43 ATOM 147 HN HIS 10 13.891 -16.017 7.850 1.00 37.60 ATOM 148 CA HIS 10 14.705 -14.708 9.314 1.00 42.53 ATOM 149 HA HIS 10 15.653 -14.248 9.076 1.00 21.13 ATOM 150 CB HIS 10 13.579 -13.739 8.949 1.00 22.53 ATOM 151 HB1 HIS 10 13.750 -12.795 9.446 1.00 37.60 ATOM 152 HB2 HIS 10 12.632 -14.147 9.279 1.00 65.32 ATOM 153 CG HIS 10 13.472 -13.471 7.480 1.00 44.23 ATOM 154 ND1 HIS 10 14.224 -12.512 6.833 1.00 21.43 ATOM 155 HD1 HIS 10 14.886 -11.924 7.253 1.00 52.14 ATOM 156 CD2 HIS 10 12.697 -14.043 6.529 1.00 11.12 ATOM 157 HD2 HIS 10 11.981 -14.839 6.679 1.00 54.21 ATOM 158 CE1 HIS 10 13.914 -12.505 5.549 1.00 23.41 ATOM 159 HE1 HIS 10 14.344 -11.858 4.799 1.00 44.43 ATOM 160 NE2 HIS 10 12.990 -13.425 5.338 1.00 22.33 ATOM 161 HE2 HIS 10 12.652 -13.695 4.459 1.00 37.60 ATOM 162 C HIS 10 14.667 -15.011 10.808 1.00 22.14 ATOM 163 O HIS 10 15.424 -14.433 11.588 1.00 21.40 ATOM 164 N MET 11 13.781 -15.920 11.200 1.00 33.34 ATOM 165 HN MET 11 13.179 -16.337 10.541 1.00 37.60 ATOM 166 CA MET 11 13.645 -16.300 12.602 1.00 71.32 ATOM 167 HA MET 11 14.513 -15.943 13.149 1.00 71.23 ATOM 168 CB MET 11 12.395 -15.660 13.207 1.00 15.43 ATOM 169 HB1 MET 11 12.222 -16.086 14.190 1.00 37.60 ATOM 170 HB2 MET 11 11.550 -15.884 12.574 1.00 70.45 ATOM 171 CG MET 11 12.495 -14.150 13.353 1.00 51.14 ATOM 172 HG1 MET 11 12.522 -13.708 12.368 1.00 37.60 ATOM 173 HG2 MET 11 13.407 -13.908 13.880 1.00 43.52 ATOM 174 SD MET 11 11.107 -13.446 14.263 1.00 1.04 ATOM 175 CE MET 11 9.742 -13.874 13.185 1.00 45.41 ATOM 176 HE1 MET 11 9.632 -14.948 13.152 1.00 25.02 ATOM 177 HE2 MET 11 9.939 -13.502 12.190 1.00 53.21 ATOM 178 HE3 MET 11 8.833 -13.430 13.562 1.00 5.12 ATOM 179 C MET 11 13.576 -17.817 12.750 1.00 52.14 ATOM 180 O MET 11 12.763 -18.476 12.103 1.00 62.21 ATOM 181 N ASN 12 14.434 -18.363 13.605 1.00 61.43 ATOM 182 HN ASN 12 15.053 -17.783 14.110 1.00 37.60 ATOM 183 CA ASN 12 14.470 -19.803 13.836 1.00 3.12 ATOM 184 HA ASN 12 14.252 -20.297 12.892 1.00 42.42 ATOM 185 CB ASN 12 15.860 -20.229 14.313 1.00 44.12 ATOM 186 HB1 ASN 12 15.917 -20.174 15.393 1.00 37.60 ATOM 187 HB2 ASN 12 16.597 -19.556 13.894 1.00 63.11 ATOM 188 CG ASN 12 16.218 -21.634 13.869 1.00 45.05 ATOM 189 OD1 ASN 12 16.331 -21.909 12.674 1.00 64.40 ATOM 190 ND2 ASN 12 16.399 -22.531 14.831 1.00 14.11 ATOM 191 HD21 ASN 12 16.299 -22.256 15.757 1.00 30.11 ATOM 192 HD22 ASN 12 16.629 -23.446 14.565 1.00 15.21 ATOM 193 C ASN 12 13.420 -20.215 14.863 1.00 71.40 ATOM 194 O ASN 12 13.192 -19.514 15.849 1.00 73.33 ATOM 195 N SER 13 12.784 -21.358 14.625 1.00 51.14 ATOM 196 HN SER 13 13.012 -21.877 13.816 1.00 37.60 ATOM 197 CA SER 13 11.755 -21.863 15.527 1.00 43.25 ATOM 198 HA SER 13 10.926 -21.174 15.500 1.00 53.00 ATOM 199 CB SER 13 11.271 -23.238 15.063 1.00 24.23 ATOM 200 HB1 SER 13 10.975 -23.837 15.914 1.00 37.60 ATOM 201 HB2 SER 13 12.066 -23.747 14.536 1.00 70.14 ATOM 202 OG SER 13 10.157 -23.121 14.195 1.00 24.22 ATOM 203 HG SER 13 10.458 -22.899 13.310 1.00 65.25 ATOM 204 C SER 13 12.282 -21.951 16.956 1.00 72.12 ATOM 205 O SER 13 11.533 -21.774 17.917 1.00 64.25 ATOM 206 N ALA 14 13.575 -22.226 17.087 1.00 23.32 ATOM 207 HN ALA 14 14.124 -22.396 16.287 1.00 37.60 ATOM 208 CA ALA 14 14.204 -22.336 18.398 1.00 74.52 ATOM 209 HA ALA 14 13.652 -23.057 18.982 1.00 63.32 ATOM 210 CB ALA 14 15.632 -22.840 18.257 1.00 23.55 ATOM 211 HB1 ALA 14 16.245 -22.079 17.797 1.00 45.44 ATOM 212 HB2 ALA 14 15.642 -23.728 17.643 1.00 32.31 ATOM 213 HB3 ALA 14 16.030 -23.073 19.230 1.00 53.54 ATOM 214 C ALA 14 14.182 -21.000 19.131 1.00 12.31 ATOM 215 O ALA 14 14.131 -20.957 20.360 1.00 40.22 ATOM 216 N GLU 15 14.221 -19.911 18.369 1.00 22.11 ATOM 217 HN GLU 15 14.285 -20.000 17.395 1.00 37.60 ATOM 218 CA GLU 15 14.208 -18.573 18.948 1.00 15.05 ATOM 219 HA GLU 15 14.980 -18.523 19.707 1.00 31.24 ATOM 220 CB GLU 15 14.504 -17.525 17.874 1.00 41.21 ATOM 221 HB1 GLU 15 14.371 -16.540 18.310 1.00 37.60 ATOM 222 HB2 GLU 15 13.805 -17.640 17.065 1.00 3.25 ATOM 223 CG GLU 15 15.913 -17.611 17.312 1.00 62.21 ATOM 224 HG1 GLU 15 15.920 -18.327 16.507 1.00 37.60 ATOM 225 HG2 GLU 15 16.593 -17.938 18.088 1.00 1.53 ATOM 226 CD GLU 15 16.410 -16.282 16.777 1.00 24.22 ATOM 227 OE1 GLU 15 15.585 -15.507 16.252 1.00 74.14 ATOM 228 OE2 GLU 15 17.626 -16.018 16.885 1.00 43.30 ATOM 229 C GLU 15 12.862 -18.278 19.605 1.00 53.04 ATOM 230 O GLU 15 12.803 -17.704 20.692 1.00 70.42 ATOM 231 N GLN 16 11.784 -18.674 18.935 1.00 41.11 ATOM 232 HN GLN 16 11.893 -19.125 18.065 1.00 37.60 ATOM 233 CA GLN 16 10.439 -18.451 19.452 1.00 2.21 ATOM 234 HA GLN 16 10.397 -17.459 19.885 1.00 40.25 ATOM 235 CB GLN 16 9.415 -18.529 18.319 1.00 73.12 ATOM 236 HB1 GLN 16 9.699 -17.829 17.547 1.00 37.60 ATOM 237 HB2 GLN 16 8.446 -18.245 18.710 1.00 1.25 ATOM 238 CG GLN 16 9.305 -19.910 17.692 1.00 12.24 ATOM 239 HG1 GLN 16 9.244 -20.668 18.454 1.00 37.60 ATOM 240 HG2 GLN 16 10.177 -20.073 17.091 1.00 21.02 ATOM 241 CD GLN 16 8.089 -20.049 16.797 1.00 24.41 ATOM 242 OE1 GLN 16 7.431 -19.063 16.466 1.00 44.20 ATOM 243 NE2 GLN 16 7.785 -21.279 16.400 1.00 73.33 ATOM 244 HE21 GLN 16 8.347 -22.031 16.695 1.00 15.21 ATOM 245 HE22 GLN 16 7.002 -21.390 15.821 1.00 12.33 ATOM 246 C GLN 16 10.096 -19.469 20.535 1.00 44.14 ATOM 247 O GLN 16 9.285 -19.200 21.421 1.00 3.24 ATOM 248 N THR 17 10.719 -20.641 20.457 1.00 42.15 ATOM 249 HN THR 17 11.349 -20.814 19.721 1.00 37.60 ATOM 250 CA THR 17 10.479 -21.700 21.428 1.00 21.23 ATOM 251 HA THR 17 9.410 -21.872 21.486 1.00 62.40 ATOM 252 CB THR 17 11.154 -23.018 21.002 1.00 51.55 ATOM 253 HB THR 17 12.205 -22.846 20.919 1.00 51.32 ATOM 254 OG1 THR 17 10.654 -23.433 19.725 1.00 3.15 ATOM 255 HG1 THR 17 11.300 -23.997 19.292 1.00 51.01 ATOM 256 CG2 THR 17 10.905 -24.111 22.030 1.00 41.24 ATOM 257 HG21 THR 17 11.266 -23.817 23.000 1.00 62.32 ATOM 258 HG22 THR 17 11.428 -24.991 21.714 1.00 12.44 ATOM 259 HG23 THR 17 9.846 -24.321 22.085 1.00 22.41 ATOM 260 C THR 17 10.989 -21.305 22.809 1.00 23.44 ATOM 261 O THR 17 10.325 -21.541 23.819 1.00 54.45 ATOM 262 N VAL 18 12.174 -20.703 22.848 1.00 54.12 ATOM 263 HN VAL 18 12.648 -20.524 22.005 1.00 37.60 ATOM 264 CA VAL 18 12.772 -20.273 24.106 1.00 64.31 ATOM 265 HA VAL 18 12.891 -21.145 24.738 1.00 2.54 ATOM 266 CB VAL 18 14.161 -19.645 23.881 1.00 15.11 ATOM 267 HB VAL 18 14.047 -18.773 23.251 1.00 54.23 ATOM 268 CG1 VAL 18 14.766 -19.200 25.204 1.00 52.44 ATOM 269 HG11 VAL 18 15.846 -19.157 25.133 1.00 4.50 ATOM 270 HG12 VAL 18 14.483 -19.882 25.988 1.00 50.42 ATOM 271 HG13 VAL 18 14.392 -18.216 25.445 1.00 50.02 ATOM 272 CG2 VAL 18 15.079 -20.625 23.168 1.00 65.21 ATOM 273 HG21 VAL 18 16.009 -20.134 22.923 1.00 12.32 ATOM 274 HG22 VAL 18 14.625 -20.985 22.277 1.00 71.43 ATOM 275 HG23 VAL 18 15.281 -21.457 23.819 1.00 44.30 ATOM 276 C VAL 18 11.881 -19.266 24.823 1.00 33.02 ATOM 277 O VAL 18 11.480 -19.479 25.968 1.00 54.10 ATOM 278 N THR 19 11.572 -18.166 24.142 1.00 25.43 ATOM 279 HN THR 19 11.920 -18.053 23.225 1.00 37.60 ATOM 280 CA THR 19 10.729 -17.125 24.714 1.00 15.11 ATOM 281 HA THR 19 11.198 -16.770 25.620 1.00 23.31 ATOM 282 CB THR 19 10.580 -15.931 23.752 1.00 74.32 ATOM 283 HB THR 19 10.095 -16.270 22.846 1.00 2.53 ATOM 284 OG1 THR 19 11.870 -15.407 23.418 1.00 34.20 ATOM 285 HG1 THR 19 12.257 -15.928 22.710 1.00 72.32 ATOM 286 CG2 THR 19 9.728 -14.836 24.376 1.00 75.33 ATOM 287 HG21 THR 19 10.066 -14.631 25.384 1.00 22.03 ATOM 288 HG22 THR 19 8.693 -15.143 24.397 1.00 21.33 ATOM 289 HG23 THR 19 9.818 -13.937 23.784 1.00 53.43 ATOM 290 C THR 19 9.344 -17.664 25.055 1.00 61.34 ATOM 291 O THR 19 8.698 -17.195 25.991 1.00 1.24 ATOM 292 N TRP 20 8.895 -18.652 24.289 1.00 32.34 ATOM 293 HN TRP 20 9.443 -18.978 23.538 1.00 37.60 ATOM 294 CA TRP 20 7.586 -19.256 24.511 1.00 31.25 ATOM 295 HA TRP 20 6.840 -18.478 24.438 1.00 31.24 ATOM 296 CB TRP 20 7.297 -20.307 23.438 1.00 43.21 ATOM 297 HB1 TRP 20 8.106 -21.013 23.402 1.00 37.60 ATOM 298 HB2 TRP 20 7.210 -19.816 22.482 1.00 2.33 ATOM 299 CG TRP 20 6.025 -21.063 23.674 1.00 60.13 ATOM 300 CD1 TRP 20 4.830 -20.548 24.090 1.00 65.23 ATOM 301 HD1 TRP 20 4.659 -19.503 24.304 1.00 61.23 ATOM 302 CD2 TRP 20 5.822 -22.471 23.509 1.00 11.21 ATOM 303 NE1 TRP 20 3.897 -21.551 24.194 1.00 71.04 ATOM 304 HE1 TRP 20 2.965 -21.434 24.473 1.00 64.24 ATOM 305 CE2 TRP 20 4.480 -22.740 23.842 1.00 12.32 ATOM 306 CE3 TRP 20 6.642 -23.530 23.111 1.00 41.31 ATOM 307 HE3 TRP 20 7.676 -23.367 22.847 1.00 34.33 ATOM 308 CZ2 TRP 20 3.943 -24.023 23.790 1.00 60.34 ATOM 309 HZ2 TRP 20 2.913 -24.222 24.046 1.00 53.04 ATOM 310 CZ3 TRP 20 6.108 -24.803 23.060 1.00 71.14 ATOM 311 HZ3 TRP 20 6.722 -25.632 22.758 1.00 72.24 ATOM 312 CH2 TRP 20 4.769 -25.041 23.397 1.00 72.34 ATOM 313 HH2 TRP 20 4.406 -26.038 23.338 1.00 2.33 ATOM 314 C TRP 20 7.507 -19.891 25.896 1.00 51.15 ATOM 315 O TRP 20 6.538 -19.687 26.629 1.00 42.14 ATOM 316 N LEU 21 8.531 -20.660 26.248 1.00 73.51 ATOM 317 HN LEU 21 9.280 -20.788 25.617 1.00 37.60 ATOM 318 CA LEU 21 8.577 -21.325 27.546 1.00 60.23 ATOM 319 HA LEU 21 7.659 -21.879 27.677 1.00 74.04 ATOM 320 CB LEU 21 9.759 -22.294 27.603 1.00 64.14 ATOM 321 HB1 LEU 21 9.810 -22.712 28.602 1.00 37.60 ATOM 322 HB2 LEU 21 10.663 -21.724 27.427 1.00 53.03 ATOM 323 CG LEU 21 9.725 -23.454 26.607 1.00 42.13 ATOM 324 HG LEU 21 9.676 -23.058 25.606 1.00 33.32 ATOM 325 CD1 LEU 21 10.990 -24.291 26.719 1.00 71.03 ATOM 326 HD11 LEU 21 11.854 -23.670 26.528 1.00 21.42 ATOM 327 HD12 LEU 21 10.961 -25.092 25.992 1.00 44.40 ATOM 328 HD13 LEU 21 11.064 -24.711 27.713 1.00 31.11 ATOM 329 CD2 LEU 21 8.491 -24.315 26.833 1.00 24.33 ATOM 330 HD21 LEU 21 8.482 -24.685 27.849 1.00 61.15 ATOM 331 HD22 LEU 21 8.510 -25.151 26.149 1.00 21.42 ATOM 332 HD23 LEU 21 7.600 -23.734 26.652 1.00 43.13 ATOM 333 C LEU 21 8.685 -20.306 28.676 1.00 71.42 ATOM 334 O LEU 21 8.236 -20.556 29.795 1.00 75.23 ATOM 335 N ILE 22 9.281 -19.158 28.375 1.00 43.21 ATOM 336 HN ILE 22 9.634 -19.010 27.468 1.00 37.60 ATOM 337 CA ILE 22 9.445 -18.100 29.365 1.00 73.33 ATOM 338 HA ILE 22 9.742 -18.549 30.299 1.00 44.22 ATOM 339 CB ILE 22 10.533 -17.096 28.941 1.00 31.12 ATOM 340 HB ILE 22 10.225 -16.641 28.008 1.00 13.53 ATOM 341 CG1 ILE 22 11.869 -17.814 28.739 1.00 50.12 ATOM 342 HG11 ILE 22 11.707 -18.790 28.305 1.00 37.60 ATOM 343 HG12 ILE 22 12.366 -17.941 29.692 1.00 23.21 ATOM 344 CG2 ILE 22 10.670 -15.994 29.981 1.00 52.23 ATOM 345 HG21 ILE 22 11.403 -15.285 29.649 1.00 2.40 ATOM 346 HG22 ILE 22 10.981 -16.416 30.925 1.00 3.22 ATOM 347 HG23 ILE 22 9.730 -15.479 30.113 1.00 73.01 ATOM 348 CD1 ILE 22 12.819 -17.075 27.823 1.00 60.05 ATOM 349 HD11 ILE 22 12.806 -17.542 26.850 1.00 62.45 ATOM 350 HD12 ILE 22 13.816 -17.125 28.222 1.00 62.23 ATOM 351 HD13 ILE 22 12.524 -16.039 27.723 1.00 43.52 ATOM 352 C ILE 22 8.136 -17.350 29.589 1.00 61.22 ATOM 353 O ILE 22 7.667 -17.221 30.720 1.00 33.31 ATOM 354 N THR 23 7.549 -16.857 28.502 1.00 21.55 ATOM 355 HN THR 23 7.977 -16.986 27.625 1.00 37.60 ATOM 356 CA THR 23 6.294 -16.121 28.579 1.00 10.35 ATOM 357 HA THR 23 6.464 -15.225 29.161 1.00 32.41 ATOM 358 CB THR 23 5.803 -15.699 27.182 1.00 44.04 ATOM 359 HB THR 23 6.584 -15.127 26.700 1.00 65.23 ATOM 360 OG1 THR 23 4.631 -14.885 27.299 1.00 60.23 ATOM 361 HG1 THR 23 4.884 -13.983 27.513 1.00 4.21 ATOM 362 CG2 THR 23 5.497 -16.918 26.325 1.00 62.21 ATOM 363 HG21 THR 23 5.189 -16.592 25.342 1.00 73.35 ATOM 364 HG22 THR 23 4.707 -17.504 26.767 1.00 65.51 ATOM 365 HG23 THR 23 6.375 -17.504 26.238 1.00 3.31 ATOM 366 C THR 23 5.210 -16.951 29.257 1.00 52.10 ATOM 367 O THR 23 4.258 -16.408 29.820 1.00 3.20 ATOM 368 N LEU 24 5.359 -18.270 29.200 1.00 51.30 ATOM 369 HN LEU 24 6.105 -18.661 28.695 1.00 37.60 ATOM 370 CA LEU 24 4.392 -19.176 29.809 1.00 32.14 ATOM 371 HA LEU 24 3.394 -18.820 29.576 1.00 72.24 ATOM 372 CB LEU 24 4.559 -20.587 29.243 1.00 35.20 ATOM 373 HB1 LEU 24 4.181 -21.304 29.966 1.00 37.60 ATOM 374 HB2 LEU 24 5.622 -20.768 29.131 1.00 14.41 ATOM 375 CG LEU 24 3.875 -20.858 27.902 1.00 14.54 ATOM 376 HG LEU 24 3.944 -19.977 27.278 1.00 63.50 ATOM 377 CD1 LEU 24 4.567 -21.996 27.170 1.00 45.24 ATOM 378 HD11 LEU 24 5.009 -22.668 27.888 1.00 1.43 ATOM 379 HD12 LEU 24 5.339 -21.606 26.538 1.00 14.04 ATOM 380 HD13 LEU 24 3.859 -22.544 26.562 1.00 71.44 ATOM 381 CD2 LEU 24 2.401 -21.173 28.110 1.00 75.32 ATOM 382 HD21 LEU 24 1.927 -21.339 27.152 1.00 4.03 ATOM 383 HD22 LEU 24 1.919 -20.341 28.605 1.00 75.42 ATOM 384 HD23 LEU 24 2.299 -22.061 28.719 1.00 64.21 ATOM 385 C LEU 24 4.551 -19.203 31.326 1.00 0.52 ATOM 386 O LEU 24 3.604 -19.494 32.055 1.00 31.30 ATOM 387 N GLY 25 5.756 -18.893 31.795 1.00 22.33 ATOM 388 HN GLY 25 6.492 -18.698 31.187 1.00 37.60 ATOM 389 CA GLY 25 6.017 -18.886 33.223 1.00 41.42 ATOM 390 HA1 GLY 25 5.140 -18.541 33.758 1.00 37.60 ATOM 391 HA2 GLY 25 6.829 -18.201 33.418 1.00 61.04 ATOM 392 C GLY 25 6.406 -20.253 33.749 1.00 44.15 ATOM 393 O GLY 25 6.008 -20.640 34.847 1.00 20.41 ATOM 394 N VAL 26 7.186 -20.988 32.962 1.00 43.31 ATOM 395 HN VAL 26 7.477 -20.624 32.100 1.00 37.60 ATOM 396 CA VAL 26 7.629 -22.320 33.354 1.00 62.31 ATOM 397 HA VAL 26 7.300 -22.529 34.367 1.00 12.04 ATOM 398 CB VAL 26 7.045 -23.402 32.426 1.00 40.35 ATOM 399 HB VAL 26 7.560 -24.338 32.604 1.00 72.22 ATOM 400 CG1 VAL 26 5.571 -23.624 32.727 1.00 72.44 ATOM 401 HG11 VAL 26 5.180 -24.397 32.080 1.00 13.14 ATOM 402 HG12 VAL 26 5.024 -22.707 32.561 1.00 32.52 ATOM 403 HG13 VAL 26 5.454 -23.930 33.757 1.00 20.12 ATOM 404 CG2 VAL 26 7.248 -23.018 30.968 1.00 52.24 ATOM 405 HG21 VAL 26 6.884 -23.818 30.338 1.00 41.41 ATOM 406 HG22 VAL 26 8.293 -22.865 30.761 1.00 51.22 ATOM 407 HG23 VAL 26 6.695 -22.119 30.745 1.00 14.31 ATOM 408 C VAL 26 9.150 -22.421 33.338 1.00 4.54 ATOM 409 O VAL 26 9.747 -23.106 34.170 1.00 0.32 ATOM 410 N LEU 27 9.773 -21.733 32.388 1.00 63.04 ATOM 411 HN LEU 27 9.265 -21.214 31.733 1.00 37.60 ATOM 412 CA LEU 27 11.227 -21.743 32.263 1.00 32.43 ATOM 413 HA LEU 27 11.646 -22.356 33.054 1.00 63.12 ATOM 414 CB LEU 27 11.639 -22.355 30.923 1.00 3.31 ATOM 415 HB1 LEU 27 11.088 -21.841 30.148 1.00 37.60 ATOM 416 HB2 LEU 27 11.338 -23.378 30.926 1.00 14.33 ATOM 417 CG LEU 27 13.128 -22.278 30.580 1.00 34.34 ATOM 418 HG LEU 27 13.454 -21.255 30.609 1.00 52.23 ATOM 419 CD1 LEU 27 13.949 -23.061 31.593 1.00 44.31 ATOM 420 HD11 LEU 27 13.651 -24.093 31.579 1.00 23.34 ATOM 421 HD12 LEU 27 13.794 -22.656 32.582 1.00 61.20 ATOM 422 HD13 LEU 27 14.999 -22.989 31.342 1.00 24.33 ATOM 423 CD2 LEU 27 13.378 -22.798 29.172 1.00 12.31 ATOM 424 HD21 LEU 27 13.076 -23.834 29.106 1.00 64.21 ATOM 425 HD22 LEU 27 14.430 -22.716 28.936 1.00 72.31 ATOM 426 HD23 LEU 27 12.809 -22.213 28.463 1.00 74.11 ATOM 427 C LEU 27 11.794 -20.333 32.388 1.00 21.12 ATOM 428 O LEU 27 11.351 -19.413 31.702 1.00 72.02 ATOM 429 N GLU 28 12.778 -20.172 33.267 1.00 22.23 ATOM 430 HN GLU 28 13.091 -20.948 33.791 1.00 37.60 ATOM 431 CA GLU 28 13.407 -18.874 33.480 1.00 13.32 ATOM 432 HA GLU 28 12.648 -18.188 33.832 1.00 1.23 ATOM 433 CB GLU 28 14.504 -18.981 34.541 1.00 31.22 ATOM 434 HB1 GLU 28 14.115 -19.530 35.388 1.00 37.60 ATOM 435 HB2 GLU 28 14.774 -17.985 34.863 1.00 3.24 ATOM 436 CG GLU 28 15.761 -19.679 34.049 1.00 53.33 ATOM 437 HG1 GLU 28 16.214 -19.088 33.267 1.00 37.60 ATOM 438 HG2 GLU 28 15.494 -20.649 33.657 1.00 23.11 ATOM 439 CD GLU 28 16.789 -19.873 35.146 1.00 13.45 ATOM 440 OE1 GLU 28 16.639 -20.827 35.938 1.00 4.40 ATOM 441 OE2 GLU 28 17.743 -19.069 35.213 1.00 31.54 ATOM 442 C GLU 28 13.993 -18.333 32.179 1.00 23.42 ATOM 443 O GLU 28 14.183 -19.076 31.216 1.00 43.21 ATOM 444 N SER 29 14.277 -17.035 32.159 1.00 24.03 ATOM 445 HN SER 29 14.120 -16.491 32.967 1.00 37.60 ATOM 446 CA SER 29 14.838 -16.393 30.976 1.00 21.30 ATOM 447 HA SER 29 14.575 -16.991 30.119 1.00 33.40 ATOM 448 CB SER 29 14.246 -14.994 30.800 1.00 55.22 ATOM 449 HB1 SER 29 15.026 -14.243 30.823 1.00 37.60 ATOM 450 HB2 SER 29 13.542 -14.791 31.596 1.00 52.34 ATOM 451 OG SER 29 13.559 -14.882 29.565 1.00 20.51 ATOM 452 HG SER 29 13.220 -13.989 29.467 1.00 5.32 ATOM 453 C SER 29 16.358 -16.306 31.074 1.00 0.43 ATOM 454 O SER 29 16.941 -16.372 32.157 1.00 54.01 ATOM 455 N PRO 30 17.017 -16.153 29.916 1.00 1.22 ATOM 456 CA PRO 30 18.478 -16.052 29.844 1.00 72.11 ATOM 457 HA PRO 30 18.958 -16.882 30.343 1.00 12.21 ATOM 458 CB PRO 30 18.764 -16.121 28.342 1.00 62.02 ATOM 459 HB1 PRO 30 18.958 -17.146 28.081 1.00 37.60 ATOM 460 HB2 PRO 30 19.618 -15.513 28.073 1.00 5.05 ATOM 461 CG PRO 30 17.516 -15.629 27.695 1.00 35.31 ATOM 462 HG1 PRO 30 17.402 -16.063 26.717 1.00 37.60 ATOM 463 HG2 PRO 30 17.540 -14.552 27.625 1.00 52.14 ATOM 464 CD PRO 30 16.387 -16.066 28.588 1.00 1.00 ATOM 465 HD1 PRO 30 16.008 -17.028 28.275 1.00 37.60 ATOM 466 HD2 PRO 30 15.612 -15.329 28.565 1.00 43.43 ATOM 467 C PRO 30 18.998 -14.742 30.426 1.00 61.21 ATOM 468 O PRO 30 18.236 -13.952 30.984 1.00 70.33 ATOM 469 N LYS 31 20.301 -14.517 30.292 1.00 13.12 ATOM 470 HN LYS 31 20.868 -15.189 29.844 1.00 37.60 ATOM 471 CA LYS 31 20.924 -13.302 30.803 1.00 52.40 ATOM 472 HA LYS 31 20.275 -12.873 31.559 1.00 61.51 ATOM 473 CB LYS 31 22.281 -13.625 31.431 1.00 24.20 ATOM 474 HB1 LYS 31 23.079 -13.430 30.722 1.00 37.60 ATOM 475 HB2 LYS 31 22.302 -14.680 31.678 1.00 11.24 ATOM 476 CG LYS 31 22.556 -12.860 32.714 1.00 51.21 ATOM 477 HG1 LYS 31 23.101 -13.506 33.387 1.00 37.60 ATOM 478 HG2 LYS 31 21.618 -12.586 33.183 1.00 60.02 ATOM 479 CD LYS 31 23.350 -11.592 32.448 1.00 52.23 ATOM 480 HD1 LYS 31 22.908 -10.789 33.021 1.00 37.60 ATOM 481 HD2 LYS 31 23.309 -11.338 31.395 1.00 42.41 ATOM 482 CE LYS 31 24.806 -11.750 32.856 1.00 24.11 ATOM 483 HE1 LYS 31 25.422 -11.581 31.985 1.00 37.60 ATOM 484 HE2 LYS 31 24.995 -12.748 33.230 1.00 3.12 ATOM 485 NZ LYS 31 25.198 -10.768 33.905 1.00 21.41 ATOM 486 HZ1 LYS 31 25.072 -9.795 33.556 1.00 4.41 ATOM 487 HZ2 LYS 31 26.197 -10.902 34.161 1.00 42.55 ATOM 488 HZ3 LYS 31 24.616 -10.898 34.759 1.00 1.33 ATOM 489 C LYS 31 21.098 -12.271 29.692 1.00 65.42 ATOM 490 O LYS 31 21.153 -11.069 29.949 1.00 41.40 ATOM 491 N LYS 32 21.184 -12.750 28.455 1.00 23.34 ATOM 492 HN LYS 32 21.171 -13.721 28.301 1.00 37.60 ATOM 493 CA LYS 32 21.350 -11.871 27.304 1.00 72.43 ATOM 494 HA LYS 32 20.726 -10.997 27.444 1.00 73.45 ATOM 495 CB LYS 32 22.808 -11.423 27.184 1.00 61.23 ATOM 496 HB1 LYS 32 23.092 -10.950 28.113 1.00 37.60 ATOM 497 HB2 LYS 32 22.891 -10.693 26.392 1.00 62.53 ATOM 498 CG LYS 32 23.776 -12.565 26.929 1.00 25.41 ATOM 499 HG1 LYS 32 23.279 -13.398 26.449 1.00 37.60 ATOM 500 HG2 LYS 32 24.161 -12.895 27.883 1.00 50.33 ATOM 501 CD LYS 32 24.952 -12.120 26.075 1.00 73.10 ATOM 502 HD1 LYS 32 25.813 -12.717 26.339 1.00 37.60 ATOM 503 HD2 LYS 32 25.173 -11.076 26.260 1.00 23.22 ATOM 504 CE LYS 32 24.667 -12.310 24.593 1.00 63.50 ATOM 505 HE1 LYS 32 23.724 -11.841 24.346 1.00 37.60 ATOM 506 HE2 LYS 32 24.611 -13.366 24.389 1.00 71.33 ATOM 507 NZ LYS 32 25.736 -11.718 23.742 1.00 4.24 ATOM 508 HZ1 LYS 32 25.816 -10.695 23.920 1.00 74.03 ATOM 509 HZ2 LYS 32 25.511 -11.864 22.737 1.00 21.05 ATOM 510 HZ3 LYS 32 26.653 -12.168 23.947 1.00 42.52 ATOM 511 C LYS 32 20.914 -12.570 26.019 1.00 2.35 ATOM 512 O LYS 32 20.344 -13.661 26.056 1.00 51.43 ATOM 513 N THR 33 21.188 -11.935 24.884 1.00 54.32 ATOM 514 HN THR 33 21.603 -11.044 24.907 1.00 37.60 ATOM 515 CA THR 33 20.824 -12.495 23.588 1.00 4.14 ATOM 516 HA THR 33 19.741 -12.474 23.524 1.00 31.43 ATOM 517 CB THR 33 21.402 -11.657 22.432 1.00 31.01 ATOM 518 HB THR 33 22.443 -11.922 22.282 1.00 31.34 ATOM 519 OG1 THR 33 21.331 -10.263 22.754 1.00 74.54 ATOM 520 HG1 THR 33 21.997 -9.781 22.256 1.00 5.43 ATOM 521 CG2 THR 33 20.645 -11.924 21.140 1.00 41.22 ATOM 522 HG21 THR 33 20.725 -12.970 20.882 1.00 55.34 ATOM 523 HG22 THR 33 21.069 -11.326 20.347 1.00 62.21 ATOM 524 HG23 THR 33 19.604 -11.663 21.269 1.00 51.24 ATOM 525 C THR 33 21.315 -13.932 23.454 1.00 53.02 ATOM 526 O THR 33 22.489 -14.221 23.687 1.00 73.33 ATOM 527 N ILE 34 20.409 -14.828 23.076 1.00 22.23 ATOM 528 HN ILE 34 19.486 -14.535 22.889 1.00 37.60 ATOM 529 CA ILE 34 20.751 -16.235 22.909 1.00 23.22 ATOM 530 HA ILE 34 21.353 -16.539 23.760 1.00 3.13 ATOM 531 CB ILE 34 19.491 -17.120 22.870 1.00 24.11 ATOM 532 HB ILE 34 18.900 -16.839 22.009 1.00 41.42 ATOM 533 CG1 ILE 34 18.655 -16.911 24.134 1.00 2.32 ATOM 534 HG11 ILE 34 17.783 -17.550 24.095 1.00 37.60 ATOM 535 HG12 ILE 34 18.333 -15.882 24.184 1.00 33.44 ATOM 536 CG2 ILE 34 19.877 -18.584 22.720 1.00 71.11 ATOM 537 HG21 ILE 34 20.729 -18.819 23.345 1.00 74.31 ATOM 538 HG22 ILE 34 20.123 -18.773 21.692 1.00 63.14 ATOM 539 HG23 ILE 34 19.044 -19.218 22.999 1.00 65.25 ATOM 540 CD1 ILE 34 19.402 -17.224 25.412 1.00 61.54 ATOM 541 HD11 ILE 34 19.763 -16.305 25.843 1.00 72.22 ATOM 542 HD12 ILE 34 20.240 -17.881 25.227 1.00 52.35 ATOM 543 HD13 ILE 34 18.727 -17.702 26.100 1.00 30.12 ATOM 544 C ILE 34 21.555 -16.458 21.632 1.00 11.44 ATOM 545 O ILE 34 21.028 -16.340 20.526 1.00 15.14 ATOM 546 N SER 35 22.834 -16.782 21.794 1.00 51.45 ATOM 547 HN SER 35 23.200 -16.880 22.705 1.00 37.60 ATOM 548 CA SER 35 23.712 -17.019 20.654 1.00 73.14 ATOM 549 HA SER 35 23.364 -16.429 19.814 1.00 2.24 ATOM 550 CB SER 35 25.141 -16.586 20.985 1.00 62.21 ATOM 551 HB1 SER 35 25.821 -16.942 20.221 1.00 37.60 ATOM 552 HB2 SER 35 25.428 -17.000 21.940 1.00 11.52 ATOM 553 OG SER 35 25.244 -15.174 21.054 1.00 74.55 ATOM 554 HG SER 35 25.310 -14.811 20.167 1.00 70.14 ATOM 555 C SER 35 23.694 -18.491 20.252 1.00 42.22 ATOM 556 O SER 35 24.521 -18.939 19.457 1.00 11.40 ATOM 557 N ASP 36 22.746 -19.238 20.807 1.00 42.30 ATOM 558 HN ASP 36 22.158 -18.863 21.469 1.00 37.60 ATOM 559 CA ASP 36 22.619 -20.659 20.507 1.00 72.02 ATOM 560 HA ASP 36 22.622 -20.781 19.432 1.00 3.42 ATOM 561 CB ASP 36 23.810 -21.431 21.076 1.00 63.04 ATOM 562 HB1 ASP 36 23.809 -21.349 22.154 1.00 37.60 ATOM 563 HB2 ASP 36 24.725 -21.009 20.692 1.00 20.34 ATOM 564 CG ASP 36 23.778 -22.901 20.705 1.00 43.31 ATOM 565 OD1 ASP 36 23.474 -23.210 19.534 1.00 23.31 ATOM 566 OD2 ASP 36 24.056 -23.741 21.586 1.00 64.42 ATOM 567 C ASP 36 21.317 -21.219 21.072 1.00 63.22 ATOM 568 O ASP 36 21.302 -21.920 22.084 1.00 62.42 ATOM 569 N PRO 37 20.198 -20.903 20.405 1.00 55.04 ATOM 570 CA PRO 37 18.870 -21.364 20.822 1.00 2.14 ATOM 571 HA PRO 37 18.671 -21.117 21.855 1.00 71.12 ATOM 572 CB PRO 37 17.920 -20.579 19.914 1.00 21.14 ATOM 573 HB1 PRO 37 17.613 -19.676 20.420 1.00 37.60 ATOM 574 HB2 PRO 37 17.050 -21.162 19.671 1.00 75.02 ATOM 575 CG PRO 37 18.730 -20.258 18.706 1.00 71.11 ATOM 576 HG1 PRO 37 18.367 -19.348 18.252 1.00 37.60 ATOM 577 HG2 PRO 37 18.680 -21.076 18.002 1.00 71.34 ATOM 578 CD PRO 37 20.141 -20.072 19.191 1.00 41.54 ATOM 579 HD1 PRO 37 20.327 -19.034 19.423 1.00 37.60 ATOM 580 HD2 PRO 37 20.834 -20.423 18.443 1.00 61.53 ATOM 581 C PRO 37 18.686 -22.864 20.617 1.00 40.42 ATOM 582 O PRO 37 17.984 -23.522 21.383 1.00 33.10 ATOM 583 N GLU 38 19.322 -23.396 19.578 1.00 31.40 ATOM 584 HN GLU 38 19.860 -22.820 18.986 1.00 37.60 ATOM 585 CA GLU 38 19.227 -24.819 19.273 1.00 73.12 ATOM 586 HA GLU 38 18.189 -25.046 19.117 1.00 31.45 ATOM 587 CB GLU 38 20.015 -25.145 18.002 1.00 0.25 ATOM 588 HB1 GLU 38 20.122 -26.222 17.922 1.00 37.60 ATOM 589 HB2 GLU 38 20.998 -24.702 18.080 1.00 32.13 ATOM 590 CG GLU 38 19.362 -24.628 16.732 1.00 73.55 ATOM 591 HG1 GLU 38 19.722 -23.628 16.542 1.00 37.60 ATOM 592 HG2 GLU 38 18.287 -24.604 16.860 1.00 74.12 ATOM 593 CD GLU 38 19.674 -25.490 15.523 1.00 3.14 ATOM 594 OE1 GLU 38 18.799 -25.614 14.642 1.00 74.14 ATOM 595 OE2 GLU 38 20.794 -26.040 15.460 1.00 55.23 ATOM 596 C GLU 38 19.744 -25.661 20.436 1.00 44.24 ATOM 597 O GLU 38 19.183 -26.707 20.757 1.00 31.21 ATOM 598 N GLY 39 20.821 -25.195 21.063 1.00 73.45 ATOM 599 HN GLY 39 21.249 -24.362 20.765 1.00 37.60 ATOM 600 CA GLY 39 21.397 -25.917 22.182 1.00 43.01 ATOM 601 HA1 GLY 39 22.452 -25.690 22.228 1.00 37.60 ATOM 602 HA2 GLY 39 21.282 -26.985 22.034 1.00 72.04 ATOM 603 C GLY 39 20.766 -25.534 23.506 1.00 43.43 ATOM 604 O GLY 39 20.548 -26.385 24.368 1.00 65.33 ATOM 605 N PHE 40 20.473 -24.248 23.669 1.00 1.23 ATOM 606 HN PHE 40 20.682 -23.606 22.950 1.00 37.60 ATOM 607 CA PHE 40 19.866 -23.753 24.899 1.00 12.31 ATOM 608 HA PHE 40 20.555 -23.939 25.711 1.00 3.24 ATOM 609 CB PHE 40 19.615 -22.247 24.799 1.00 53.34 ATOM 610 HB1 PHE 40 19.069 -22.045 23.886 1.00 37.60 ATOM 611 HB2 PHE 40 20.569 -21.737 24.752 1.00 62.43 ATOM 612 CG PHE 40 18.834 -21.691 25.955 1.00 53.42 ATOM 613 CD1 PHE 40 19.484 -21.222 27.086 1.00 75.45 ATOM 614 HD1 PHE 40 20.564 -21.257 27.136 1.00 40.30 ATOM 615 CD2 PHE 40 17.450 -21.636 25.911 1.00 40.41 ATOM 616 HD2 PHE 40 16.931 -22.000 25.038 1.00 73.25 ATOM 617 CE1 PHE 40 18.767 -20.711 28.151 1.00 22.01 ATOM 618 HE1 PHE 40 19.285 -20.349 29.027 1.00 3.34 ATOM 619 CE2 PHE 40 16.728 -21.125 26.973 1.00 3.23 ATOM 620 HE2 PHE 40 15.656 -21.102 26.936 1.00 20.34 ATOM 621 CZ PHE 40 17.388 -20.661 28.094 1.00 30.05 ATOM 622 HZ PHE 40 16.826 -20.262 28.926 1.00 61.32 ATOM 623 C PHE 40 18.556 -24.480 25.190 1.00 1.30 ATOM 624 O PHE 40 18.142 -24.599 26.344 1.00 51.01 ATOM 625 N LEU 41 17.908 -24.963 24.136 1.00 64.41 ATOM 626 HN LEU 41 18.256 -24.810 23.230 1.00 37.60 ATOM 627 CA LEU 41 16.645 -25.679 24.276 1.00 12.25 ATOM 628 HA LEU 41 16.101 -25.249 25.100 1.00 21.32 ATOM 629 CB LEU 41 15.809 -25.533 23.004 1.00 63.15 ATOM 630 HB1 LEU 41 15.139 -26.382 22.916 1.00 37.60 ATOM 631 HB2 LEU 41 16.493 -25.562 22.168 1.00 73.01 ATOM 632 CG LEU 41 14.975 -24.257 22.891 1.00 52.32 ATOM 633 HG LEU 41 15.593 -23.411 23.144 1.00 2.32 ATOM 634 CD1 LEU 41 14.482 -24.065 21.465 1.00 64.02 ATOM 635 HD11 LEU 41 14.113 -23.066 21.359 1.00 64.12 ATOM 636 HD12 LEU 41 13.690 -24.770 21.246 1.00 73.14 ATOM 637 HD13 LEU 41 15.296 -24.219 20.774 1.00 13.24 ATOM 638 CD2 LEU 41 13.803 -24.298 23.861 1.00 71.34 ATOM 639 HD21 LEU 41 14.167 -24.413 24.871 1.00 0.23 ATOM 640 HD22 LEU 41 13.155 -25.128 23.617 1.00 3.22 ATOM 641 HD23 LEU 41 13.245 -23.375 23.790 1.00 74.35 ATOM 642 C LEU 41 16.885 -27.155 24.574 1.00 23.43 ATOM 643 O LEU 41 16.238 -27.735 25.446 1.00 61.33 ATOM 644 N GLN 42 17.821 -27.756 23.846 1.00 10.11 ATOM 645 HN GLN 42 18.298 -27.244 23.150 1.00 37.60 ATOM 646 CA GLN 42 18.147 -29.165 24.034 1.00 45.50 ATOM 647 HA GLN 42 17.290 -29.746 23.723 1.00 53.14 ATOM 648 CB GLN 42 19.352 -29.550 23.174 1.00 43.42 ATOM 649 HB1 GLN 42 20.242 -29.067 23.561 1.00 37.60 ATOM 650 HB2 GLN 42 19.177 -29.191 22.168 1.00 50.31 ATOM 651 CG GLN 42 19.589 -31.049 23.095 1.00 71.23 ATOM 652 HG1 GLN 42 20.009 -31.271 22.124 1.00 37.60 ATOM 653 HG2 GLN 42 18.646 -31.573 23.195 1.00 62.31 ATOM 654 CD GLN 42 20.556 -31.544 24.152 1.00 43.10 ATOM 655 OE1 GLN 42 21.746 -31.227 24.118 1.00 33.25 ATOM 656 NE2 GLN 42 20.050 -32.325 25.099 1.00 60.32 ATOM 657 HE21 GLN 42 19.092 -32.547 25.080 1.00 2.21 ATOM 658 HE22 GLN 42 20.662 -32.655 25.789 1.00 13.10 ATOM 659 C GLN 42 18.438 -29.465 25.501 1.00 41.03 ATOM 660 O GLN 42 17.926 -30.435 26.059 1.00 52.31 ATOM 661 N ALA 43 19.264 -28.627 26.119 1.00 53.10 ATOM 662 HN ALA 43 19.646 -27.866 25.619 1.00 37.60 ATOM 663 CA ALA 43 19.621 -28.802 27.521 1.00 21.12 ATOM 664 HA ALA 43 19.933 -29.825 27.668 1.00 43.45 ATOM 665 CB ALA 43 20.799 -27.908 27.881 1.00 34.43 ATOM 666 HB1 ALA 43 21.093 -28.087 28.906 1.00 73.03 ATOM 667 HB2 ALA 43 20.519 -26.871 27.762 1.00 13.32 ATOM 668 HB3 ALA 43 21.629 -28.131 27.227 1.00 70.42 ATOM 669 C ALA 43 18.433 -28.508 28.431 1.00 5.13 ATOM 670 O ALA 43 18.121 -29.288 29.331 1.00 55.41 ATOM 671 N SER 44 17.776 -27.378 28.192 1.00 51.22 ATOM 672 HN SER 44 18.077 -26.790 27.458 1.00 37.60 ATOM 673 CA SER 44 16.625 -26.979 28.993 1.00 0.43 ATOM 674 HA SER 44 16.956 -26.851 30.015 1.00 45.04 ATOM 675 CB SER 44 16.060 -25.650 28.487 1.00 43.02 ATOM 676 HB1 SER 44 16.860 -24.933 28.392 1.00 37.60 ATOM 677 HB2 SER 44 15.330 -25.282 29.193 1.00 75.12 ATOM 678 OG SER 44 15.432 -25.810 27.227 1.00 65.05 ATOM 679 HG SER 44 14.923 -25.023 27.021 1.00 64.21 ATOM 680 C SER 44 15.541 -28.051 28.959 1.00 74.21 ATOM 681 O SER 44 14.739 -28.171 29.887 1.00 41.54 ATOM 682 N LEU 45 15.522 -28.830 27.883 1.00 53.23 ATOM 683 HN LEU 45 16.154 -28.675 27.146 1.00 37.60 ATOM 684 CA LEU 45 14.536 -29.894 27.725 1.00 1.24 ATOM 685 HA LEU 45 13.678 -29.679 28.351 1.00 72.42 ATOM 686 CB LEU 45 14.062 -29.966 26.273 1.00 54.30 ATOM 687 HB1 LEU 45 13.320 -30.749 26.192 1.00 37.60 ATOM 688 HB2 LEU 45 14.914 -30.247 25.674 1.00 35.32 ATOM 689 CG LEU 45 13.477 -28.677 25.693 1.00 22.12 ATOM 690 HG LEU 45 13.966 -27.820 26.133 1.00 34.25 ATOM 691 CD1 LEU 45 13.705 -28.616 24.191 1.00 73.42 ATOM 692 HD11 LEU 45 14.712 -28.926 23.946 1.00 55.24 ATOM 693 HD12 LEU 45 13.556 -27.602 23.853 1.00 14.42 ATOM 694 HD13 LEU 45 13.003 -29.254 23.698 1.00 41.22 ATOM 695 CD2 LEU 45 11.993 -28.573 26.014 1.00 4.35 ATOM 696 HD21 LEU 45 11.849 -28.622 27.085 1.00 60.23 ATOM 697 HD22 LEU 45 11.459 -29.386 25.543 1.00 20.52 ATOM 698 HD23 LEU 45 11.609 -27.631 25.648 1.00 2.01 ATOM 699 C LEU 45 15.115 -31.239 28.150 1.00 21.54 ATOM 700 O LEU 45 14.379 -32.197 28.391 1.00 52.42 ATOM 701 N LYS 46 16.439 -31.305 28.243 1.00 31.42 ATOM 702 HN LYS 46 16.979 -30.539 27.992 1.00 37.60 ATOM 703 CA LYS 46 17.118 -32.532 28.643 1.00 62.13 ATOM 704 HA LYS 46 16.968 -33.259 27.856 1.00 20.14 ATOM 705 CB LYS 46 18.616 -32.275 28.820 1.00 23.14 ATOM 706 HB1 LYS 46 18.807 -31.866 29.804 1.00 37.60 ATOM 707 HB2 LYS 46 18.923 -31.551 28.083 1.00 33.32 ATOM 708 CG LYS 46 19.474 -33.512 28.617 1.00 70.02 ATOM 709 HG1 LYS 46 19.760 -33.563 27.577 1.00 37.60 ATOM 710 HG2 LYS 46 18.906 -34.392 28.870 1.00 31.30 ATOM 711 CD LYS 46 20.734 -33.462 29.464 1.00 24.30 ATOM 712 HD1 LYS 46 21.053 -32.434 29.592 1.00 37.60 ATOM 713 HD2 LYS 46 21.511 -34.013 28.954 1.00 5.32 ATOM 714 CE LYS 46 20.513 -34.094 30.830 1.00 63.22 ATOM 715 HE1 LYS 46 20.751 -35.140 30.761 1.00 37.60 ATOM 716 HE2 LYS 46 19.480 -33.976 31.132 1.00 13.42 ATOM 717 NZ LYS 46 21.386 -33.484 31.871 1.00 34.01 ATOM 718 HZ1 LYS 46 21.210 -33.937 32.791 1.00 23.30 ATOM 719 HZ2 LYS 46 21.188 -32.466 31.959 1.00 74.12 ATOM 720 HZ3 LYS 46 22.389 -33.612 31.623 1.00 4.30 ATOM 721 C LYS 46 16.529 -33.083 29.937 1.00 22.33 ATOM 722 O LYS 46 16.018 -34.203 29.970 1.00 1.15 ATOM 723 N ASP 47 16.603 -32.290 31.000 1.00 30.03 ATOM 724 HN ASP 47 16.994 -31.394 30.891 1.00 37.60 ATOM 725 CA ASP 47 16.075 -32.698 32.297 1.00 54.12 ATOM 726 HA ASP 47 16.672 -33.524 32.655 1.00 2.12 ATOM 727 CB ASP 47 16.174 -31.545 33.297 1.00 32.33 ATOM 728 HB1 ASP 47 16.032 -31.931 34.295 1.00 37.60 ATOM 729 HB2 ASP 47 15.405 -30.812 33.086 1.00 44.33 ATOM 730 CG ASP 47 17.517 -30.845 33.243 1.00 64.33 ATOM 731 OD1 ASP 47 18.500 -31.406 33.771 1.00 60.22 ATOM 732 OD2 ASP 47 17.586 -29.736 32.673 1.00 42.03 ATOM 733 C ASP 47 14.625 -33.157 32.173 1.00 41.01 ATOM 734 O ASP 47 14.228 -34.159 32.765 1.00 30.52 ATOM 735 N GLY 48 13.838 -32.415 31.399 1.00 5.01 ATOM 736 HN GLY 48 14.193 -31.614 30.952 1.00 37.60 ATOM 737 CA GLY 48 12.442 -32.761 31.213 1.00 75.04 ATOM 738 HA1 GLY 48 12.317 -33.827 31.253 1.00 37.60 ATOM 739 HA2 GLY 48 12.143 -32.424 30.230 1.00 1.15 ATOM 740 C GLY 48 11.539 -32.098 32.234 1.00 54.34 ATOM 741 O GLY 48 10.323 -32.034 32.050 1.00 70.12 ATOM 742 N VAL 49 12.133 -31.603 33.315 1.00 64.33 ATOM 743 HN VAL 49 13.099 -31.627 33.387 1.00 37.60 ATOM 744 CA VAL 49 11.375 -30.942 34.370 1.00 73.03 ATOM 745 HA VAL 49 10.697 -31.670 34.798 1.00 4.22 ATOM 746 CB VAL 49 12.300 -30.424 35.486 1.00 4.42 ATOM 747 HB VAL 49 12.916 -29.628 35.086 1.00 21.52 ATOM 748 CG1 VAL 49 11.483 -29.858 36.638 1.00 44.23 ATOM 749 HG11 VAL 49 10.718 -30.564 36.930 1.00 53.41 ATOM 750 HG12 VAL 49 11.016 -28.935 36.330 1.00 32.35 ATOM 751 HG13 VAL 49 12.128 -29.659 37.484 1.00 1.31 ATOM 752 CG2 VAL 49 13.223 -31.532 35.970 1.00 1.02 ATOM 753 HG21 VAL 49 12.641 -32.400 36.235 1.00 12.32 ATOM 754 HG22 VAL 49 13.775 -31.195 36.838 1.00 45.44 ATOM 755 HG23 VAL 49 13.922 -31.793 35.193 1.00 13.31 ATOM 756 C VAL 49 10.563 -29.776 33.815 1.00 24.51 ATOM 757 O VAL 49 9.464 -29.490 34.289 1.00 10.02 ATOM 758 N VAL 50 11.113 -29.107 32.807 1.00 52.22 ATOM 759 HN VAL 50 12.000 -29.371 32.468 1.00 37.60 ATOM 760 CA VAL 50 10.440 -27.972 32.186 1.00 73.55 ATOM 761 HA VAL 50 9.957 -27.388 32.964 1.00 64.32 ATOM 762 CB VAL 50 11.440 -27.059 31.453 1.00 50.32 ATOM 763 HB VAL 50 11.942 -27.640 30.692 1.00 14.53 ATOM 764 CG1 VAL 50 10.713 -25.909 30.771 1.00 23.33 ATOM 765 HG11 VAL 50 11.440 -25.270 30.292 1.00 24.24 ATOM 766 HG12 VAL 50 10.159 -25.338 31.501 1.00 4.40 ATOM 767 HG13 VAL 50 10.038 -26.284 30.018 1.00 5.32 ATOM 768 CG2 VAL 50 12.491 -26.537 32.420 1.00 5.33 ATOM 769 HG21 VAL 50 12.033 -25.869 33.137 1.00 15.12 ATOM 770 HG22 VAL 50 13.248 -26.011 31.868 1.00 63.52 ATOM 771 HG23 VAL 50 12.953 -27.362 32.944 1.00 74.00 ATOM 772 C VAL 50 9.376 -28.438 31.198 1.00 60.43 ATOM 773 O VAL 50 8.366 -27.764 30.992 1.00 33.34 ATOM 774 N LEU 51 9.609 -29.596 30.588 1.00 0.53 ATOM 775 HN LEU 51 10.446 -30.079 30.764 1.00 37.60 ATOM 776 CA LEU 51 8.670 -30.154 29.621 1.00 2.51 ATOM 777 HA LEU 51 8.542 -29.430 28.832 1.00 54.22 ATOM 778 CB LEU 51 9.217 -31.461 29.045 1.00 3.14 ATOM 779 HB1 LEU 51 8.386 -32.108 28.795 1.00 37.60 ATOM 780 HB2 LEU 51 9.796 -31.953 29.808 1.00 34.51 ATOM 781 CG LEU 51 10.092 -31.331 27.798 1.00 1.10 ATOM 782 HG LEU 51 10.921 -30.673 28.015 1.00 30.31 ATOM 783 CD1 LEU 51 10.660 -32.685 27.401 1.00 52.43 ATOM 784 HD11 LEU 51 11.294 -32.572 26.532 1.00 21.22 ATOM 785 HD12 LEU 51 9.853 -33.366 27.169 1.00 10.14 ATOM 786 HD13 LEU 51 11.244 -33.086 28.218 1.00 35.41 ATOM 787 CD2 LEU 51 9.297 -30.726 26.650 1.00 44.01 ATOM 788 HD21 LEU 51 9.824 -30.871 25.715 1.00 24.20 ATOM 789 HD22 LEU 51 9.175 -29.668 26.819 1.00 44.22 ATOM 790 HD23 LEU 51 8.333 -31.185 26.591 1.00 71.33 ATOM 791 C LEU 51 7.308 -30.398 30.263 1.00 42.23 ATOM 792 O LEU 51 6.289 -29.893 29.791 1.00 51.44 ATOM 793 N CYS 52 7.299 -31.173 31.341 1.00 12.14 ATOM 794 HN CYS 52 8.150 -31.552 31.669 1.00 37.60 ATOM 795 CA CYS 52 6.062 -31.483 32.049 1.00 33.03 ATOM 796 HA CYS 52 5.431 -32.053 31.380 1.00 12.21 ATOM 797 CB CYS 52 6.360 -32.306 33.304 1.00 50.35 ATOM 798 HB1 CYS 52 5.647 -32.065 34.084 1.00 37.60 ATOM 799 HB2 CYS 52 7.354 -32.074 33.658 1.00 4.24 ATOM 800 SG CYS 52 6.279 -34.094 33.050 1.00 64.13 ATOM 801 HG CYS 52 7.246 -34.432 32.210 1.00 51.54 ATOM 802 C CYS 52 5.318 -30.207 32.429 1.00 53.25 ATOM 803 O CYS 52 4.113 -30.088 32.202 1.00 4.11 ATOM 804 N ARG 53 6.043 -29.255 33.008 1.00 35.51 ATOM 805 HN ARG 53 7.004 -29.411 33.172 1.00 37.60 ATOM 806 CA ARG 53 5.451 -27.989 33.422 1.00 75.03 ATOM 807 HA ARG 53 4.755 -28.193 34.225 1.00 22.34 ATOM 808 CB ARG 53 6.535 -27.034 33.924 1.00 23.50 ATOM 809 HB1 ARG 53 6.130 -26.031 33.988 1.00 37.60 ATOM 810 HB2 ARG 53 7.351 -27.036 33.213 1.00 43.31 ATOM 811 CG ARG 53 7.082 -27.401 35.294 1.00 43.10 ATOM 812 HG1 ARG 53 7.355 -28.448 35.299 1.00 37.60 ATOM 813 HG2 ARG 53 6.318 -27.223 36.035 1.00 10.10 ATOM 814 CD ARG 53 8.309 -26.573 35.644 1.00 52.31 ATOM 815 HD1 ARG 53 8.015 -25.538 35.738 1.00 37.60 ATOM 816 HD2 ARG 53 9.034 -26.670 34.845 1.00 51.31 ATOM 817 NE ARG 53 8.924 -27.007 36.895 1.00 32.12 ATOM 818 HE ARG 53 8.452 -27.687 37.430 1.00 45.22 ATOM 819 CZ ARG 53 10.079 -26.534 37.349 1.00 21.32 ATOM 820 NH1 ARG 53 10.741 -25.617 36.658 1.00 0.43 ATOM 821 HH11 ARG 53 10.391 -25.264 35.792 1.00 52.34 ATOM 822 HH12 ARG 53 11.612 -25.267 37.008 1.00 23.30 ATOM 823 NH2 ARG 53 10.574 -26.979 38.497 1.00 24.31 ATOM 824 HH21 ARG 53 10.078 -27.672 39.024 1.00 41.02 ATOM 825 HH22 ARG 53 11.446 -26.624 38.842 1.00 72.12 ATOM 826 C ARG 53 4.685 -27.345 32.270 1.00 52.13 ATOM 827 O ARG 53 3.549 -26.900 32.437 1.00 14.43 ATOM 828 N LEU 54 5.314 -27.298 31.101 1.00 63.32 ATOM 829 HN LEU 54 6.229 -27.662 31.029 1.00 37.60 ATOM 830 CA LEU 54 4.693 -26.708 29.920 1.00 31.12 ATOM 831 HA LEU 54 4.534 -25.657 30.115 1.00 1.31 ATOM 832 CB LEU 54 5.615 -26.852 28.708 1.00 3.14 ATOM 833 HB1 LEU 54 6.034 -27.844 28.724 1.00 37.60 ATOM 834 HB2 LEU 54 6.426 -26.144 28.819 1.00 64.35 ATOM 835 CG LEU 54 4.966 -26.634 27.341 1.00 22.02 ATOM 836 HG LEU 54 4.122 -27.294 27.231 1.00 62.52 ATOM 837 CD1 LEU 54 4.465 -25.204 27.210 1.00 33.32 ATOM 838 HD11 LEU 54 5.312 -24.541 27.207 1.00 45.34 ATOM 839 HD12 LEU 54 3.812 -24.958 28.037 1.00 1.55 ATOM 840 HD13 LEU 54 3.922 -25.098 26.286 1.00 70.02 ATOM 841 CD2 LEU 54 5.949 -26.961 26.226 1.00 12.12 ATOM 842 HD21 LEU 54 5.557 -26.642 25.283 1.00 54.52 ATOM 843 HD22 LEU 54 6.113 -28.027 26.198 1.00 12.21 ATOM 844 HD23 LEU 54 6.886 -26.465 26.407 1.00 53.52 ATOM 845 C LEU 54 3.346 -27.363 29.629 1.00 2.40 ATOM 846 O LEU 54 2.371 -26.683 29.305 1.00 32.54 ATOM 847 N LEU 55 3.299 -28.685 29.748 1.00 51.20 ATOM 848 HN LEU 55 4.114 -29.179 30.002 1.00 37.60 ATOM 849 CA LEU 55 2.071 -29.432 29.500 1.00 53.12 ATOM 850 HA LEU 55 1.715 -29.174 28.512 1.00 32.40 ATOM 851 CB LEU 55 2.347 -30.936 29.546 1.00 0.33 ATOM 852 HB1 LEU 55 2.911 -31.150 30.439 1.00 37.60 ATOM 853 HB2 LEU 55 2.958 -31.180 28.691 1.00 50.43 ATOM 854 CG LEU 55 1.118 -31.845 29.530 1.00 53.21 ATOM 855 HG LEU 55 0.543 -31.689 30.431 1.00 12.15 ATOM 856 CD1 LEU 55 0.227 -31.517 28.341 1.00 24.32 ATOM 857 HD11 LEU 55 -0.694 -32.076 28.425 1.00 63.13 ATOM 858 HD12 LEU 55 0.725 -31.798 27.434 1.00 72.14 ATOM 859 HD13 LEU 55 -0.001 -30.469 28.304 1.00 0.31 ATOM 860 CD2 LEU 55 1.536 -33.307 29.498 1.00 64.51 ATOM 861 HD21 LEU 55 0.774 -33.904 29.976 1.00 41.41 ATOM 862 HD22 LEU 55 2.469 -33.441 30.014 1.00 43.33 ATOM 863 HD23 LEU 55 1.656 -33.639 28.475 1.00 4.21 ATOM 864 C LEU 55 0.997 -29.069 30.520 1.00 11.15 ATOM 865 O LEU 55 -0.197 -29.138 30.230 1.00 22.43 ATOM 866 N GLU 56 1.431 -28.680 31.715 1.00 13.33 ATOM 867 HN GLU 56 2.392 -28.665 31.901 1.00 37.60 ATOM 868 CA GLU 56 0.506 -28.304 32.778 1.00 35.31 ATOM 869 HA GLU 56 -0.317 -29.012 32.781 1.00 4.11 ATOM 870 CB GLU 56 1.210 -28.345 34.136 1.00 72.42 ATOM 871 HB1 GLU 56 0.804 -27.564 34.769 1.00 37.60 ATOM 872 HB2 GLU 56 2.264 -28.162 34.003 1.00 23.33 ATOM 873 CG GLU 56 1.056 -29.671 34.861 1.00 21.54 ATOM 874 HG1 GLU 56 1.768 -30.373 34.452 1.00 37.60 ATOM 875 HG2 GLU 56 0.053 -30.048 34.711 1.00 53.01 ATOM 876 CD GLU 56 1.297 -29.551 36.354 1.00 70.43 ATOM 877 OE1 GLU 56 0.795 -28.581 36.959 1.00 72.02 ATOM 878 OE2 GLU 56 1.987 -30.427 36.916 1.00 4.42 ATOM 879 C GLU 56 -0.069 -26.912 32.533 1.00 61.03 ATOM 880 O GLU 56 -1.165 -26.592 32.992 1.00 53.41 ATOM 881 N ARG 57 0.680 -26.089 31.806 1.00 0.01 ATOM 882 HN ARG 57 1.557 -26.387 31.476 1.00 37.60 ATOM 883 CA ARG 57 0.247 -24.731 31.501 1.00 40.31 ATOM 884 HA ARG 57 -0.033 -24.251 32.425 1.00 65.21 ATOM 885 CB ARG 57 1.382 -23.948 30.838 1.00 11.43 ATOM 886 HB1 ARG 57 0.988 -23.033 30.411 1.00 37.60 ATOM 887 HB2 ARG 57 1.798 -24.542 30.045 1.00 21.04 ATOM 888 CG ARG 57 2.506 -23.580 31.793 1.00 42.43 ATOM 889 HG1 ARG 57 3.306 -23.126 31.227 1.00 37.60 ATOM 890 HG2 ARG 57 2.868 -24.475 32.277 1.00 63.21 ATOM 891 CD ARG 57 2.036 -22.598 32.855 1.00 22.30 ATOM 892 HD1 ARG 57 2.873 -22.364 33.497 1.00 37.60 ATOM 893 HD2 ARG 57 1.263 -23.066 33.442 1.00 22.53 ATOM 894 NE ARG 57 1.533 -21.358 32.270 1.00 34.34 ATOM 895 HE ARG 57 1.762 -21.164 31.331 1.00 41.53 ATOM 896 CZ ARG 57 0.791 -20.480 32.936 1.00 73.20 ATOM 897 NH1 ARG 57 0.468 -20.705 34.202 1.00 2.33 ATOM 898 HH11 ARG 57 0.771 -21.524 34.682 1.00 75.50 ATOM 899 HH12 ARG 57 -0.095 -20.037 34.694 1.00 64.24 ATOM 900 NH2 ARG 57 0.370 -19.375 32.335 1.00 41.51 ATOM 901 HH21 ARG 57 0.610 -19.199 31.378 1.00 4.25 ATOM 902 HH22 ARG 57 -0.190 -18.711 32.835 1.00 12.55 ATOM 903 C ARG 57 -0.977 -24.742 30.590 1.00 70.11 ATOM 904 O ARG 57 -2.015 -24.167 30.920 1.00 51.13 ATOM 905 N LEU 58 -0.848 -25.400 29.443 1.00 52.31 ATOM 906 HN LEU 58 -0.012 -25.891 29.268 1.00 37.60 ATOM 907 CA LEU 58 -1.943 -25.486 28.483 1.00 15.02 ATOM 908 HA LEU 58 -2.447 -24.527 28.448 1.00 33.05 ATOM 909 CB LEU 58 -1.402 -25.802 27.088 1.00 5.21 ATOM 910 HB1 LEU 58 -2.163 -25.542 26.364 1.00 37.60 ATOM 911 HB2 LEU 58 -1.232 -26.874 27.028 1.00 3.05 ATOM 912 CG LEU 58 -0.101 -25.099 26.698 1.00 25.15 ATOM 913 HG LEU 58 0.637 -25.235 27.470 1.00 2.42 ATOM 914 CD1 LEU 58 0.471 -25.701 25.424 1.00 35.42 ATOM 915 HD11 LEU 58 1.548 -25.622 25.453 1.00 64.13 ATOM 916 HD12 LEU 58 0.107 -25.162 24.563 1.00 32.23 ATOM 917 HD13 LEU 58 0.197 -26.745 25.339 1.00 3.22 ATOM 918 CD2 LEU 58 -0.332 -23.605 26.527 1.00 10.12 ATOM 919 HD21 LEU 58 0.601 -23.120 26.275 1.00 12.14 ATOM 920 HD22 LEU 58 -0.710 -23.189 27.450 1.00 32.22 ATOM 921 HD23 LEU 58 -1.050 -23.434 25.736 1.00 62.01 ATOM 922 C LEU 58 -2.952 -26.551 28.902 1.00 11.44 ATOM 923 O LEU 58 -4.163 -26.333 28.841 1.00 41.35 ATOM 924 N LEU 59 -2.446 -27.702 29.331 1.00 41.42 ATOM 925 HN LEU 59 -1.470 -27.831 29.359 1.00 37.60 ATOM 926 CA LEU 59 -3.302 -28.801 29.763 1.00 15.52 ATOM 927 HA LEU 59 -4.334 -28.534 29.615 1.00 51.30 ATOM 928 CB LEU 59 -3.007 -30.057 28.943 1.00 64.14 ATOM 929 HB1 LEU 59 -3.463 -30.905 29.439 1.00 37.60 ATOM 930 HB2 LEU 59 -1.951 -30.201 28.939 1.00 4.30 ATOM 931 CG LEU 59 -3.500 -30.045 27.495 1.00 24.12 ATOM 932 HG LEU 59 -3.011 -29.242 26.962 1.00 44.44 ATOM 933 CD1 LEU 59 -3.147 -31.351 26.801 1.00 75.35 ATOM 934 HD11 LEU 59 -3.615 -32.178 27.317 1.00 15.20 ATOM 935 HD12 LEU 59 -2.075 -31.485 26.806 1.00 74.20 ATOM 936 HD13 LEU 59 -3.495 -31.324 25.778 1.00 52.42 ATOM 937 CD2 LEU 59 -5.001 -29.800 27.445 1.00 24.01 ATOM 938 HD21 LEU 59 -5.512 -30.515 28.075 1.00 53.42 ATOM 939 HD22 LEU 59 -5.354 -29.907 26.427 1.00 21.42 ATOM 940 HD23 LEU 59 -5.219 -28.801 27.784 1.00 45.44 ATOM 941 C LEU 59 -3.108 -29.091 31.248 1.00 64.22 ATOM 942 O LEU 59 -2.501 -30.090 31.636 1.00 44.25 ATOM 943 N PRO 60 -3.636 -28.200 32.100 1.00 62.12 ATOM 944 CA PRO 60 -3.535 -28.341 33.556 1.00 53.15 ATOM 945 HA PRO 60 -2.507 -28.464 33.869 1.00 44.53 ATOM 946 CB PRO 60 -4.068 -27.005 34.079 1.00 40.33 ATOM 947 HB1 PRO 60 -3.245 -26.326 34.237 1.00 37.60 ATOM 948 HB2 PRO 60 -4.603 -27.142 35.012 1.00 53.51 ATOM 949 CG PRO 60 -4.970 -26.509 33.002 1.00 14.11 ATOM 950 HG1 PRO 60 -5.007 -25.430 33.022 1.00 37.60 ATOM 951 HG2 PRO 60 -5.960 -26.922 33.133 1.00 13.00 ATOM 952 CD PRO 60 -4.372 -26.987 31.708 1.00 54.22 ATOM 953 HD1 PRO 60 -3.703 -26.237 31.326 1.00 37.60 ATOM 954 HD2 PRO 60 -5.152 -27.207 30.997 1.00 14.13 ATOM 955 C PRO 60 -4.379 -29.495 34.086 1.00 61.11 ATOM 956 O PRO 60 -5.601 -29.499 33.946 1.00 71.23 ATOM 957 N GLY 61 -3.718 -30.474 34.697 1.00 43.14 ATOM 958 HN GLY 61 -2.743 -30.412 34.813 1.00 37.60 ATOM 959 CA GLY 61 -4.424 -31.620 35.239 1.00 5.01 ATOM 960 HA1 GLY 61 -5.495 -31.458 35.219 1.00 37.60 ATOM 961 HA2 GLY 61 -4.120 -31.749 36.267 1.00 11.33 ATOM 962 C GLY 61 -4.114 -32.900 34.489 1.00 63.12 ATOM 963 O GLY 61 -4.858 -33.877 34.577 1.00 33.03 ATOM 964 N THR 62 -3.011 -32.897 33.745 1.00 15.44 ATOM 965 HN THR 62 -2.448 -32.099 33.695 1.00 37.60 ATOM 966 CA THR 62 -2.606 -34.065 32.974 1.00 11.11 ATOM 967 HA THR 62 -3.426 -34.777 32.956 1.00 53.34 ATOM 968 CB THR 62 -2.269 -33.688 31.519 1.00 31.10 ATOM 969 HB THR 62 -1.276 -33.255 31.481 1.00 74.01 ATOM 970 OG1 THR 62 -3.204 -32.717 31.035 1.00 3.14 ATOM 971 HG1 THR 62 -4.107 -33.060 31.065 1.00 61.51 ATOM 972 CG2 THR 62 -2.296 -34.916 30.622 1.00 74.22 ATOM 973 HG21 THR 62 -2.057 -34.625 29.610 1.00 31.15 ATOM 974 HG22 THR 62 -3.281 -35.360 30.644 1.00 21.22 ATOM 975 HG23 THR 62 -1.568 -35.635 30.970 1.00 1.12 ATOM 976 C THR 62 -1.397 -34.747 33.604 1.00 42.25 ATOM 977 O THR 62 -1.221 -35.959 33.477 1.00 2.04 ATOM 978 N ILE 63 -0.567 -33.961 34.282 1.00 61.34 ATOM 979 HN ILE 63 -0.741 -32.998 34.350 1.00 37.60 ATOM 980 CA ILE 63 0.625 -34.491 34.932 1.00 10.03 ATOM 981 HA ILE 63 0.977 -35.348 34.362 1.00 72.53 ATOM 982 CB ILE 63 1.759 -33.449 34.965 1.00 54.01 ATOM 983 HB ILE 63 1.428 -32.599 35.546 1.00 41.00 ATOM 984 CG1 ILE 63 2.091 -32.980 33.547 1.00 53.11 ATOM 985 HG11 ILE 63 2.832 -32.195 33.601 1.00 37.60 ATOM 986 HG12 ILE 63 1.202 -32.588 33.074 1.00 4.42 ATOM 987 CG2 ILE 63 2.993 -34.030 35.639 1.00 14.22 ATOM 988 HG21 ILE 63 2.832 -34.079 36.706 1.00 0.44 ATOM 989 HG22 ILE 63 3.851 -33.398 35.446 1.00 72.42 ATOM 990 HG23 ILE 63 3.192 -35.025 35.264 1.00 2.23 ATOM 991 CD1 ILE 63 2.645 -34.075 32.662 1.00 12.15 ATOM 992 HD11 ILE 63 3.129 -33.622 31.816 1.00 73.43 ATOM 993 HD12 ILE 63 1.838 -34.702 32.318 1.00 5.34 ATOM 994 HD13 ILE 63 3.365 -34.678 33.191 1.00 32.33 ATOM 995 C ILE 63 0.320 -34.939 36.358 1.00 41.13 ATOM 996 O ILE 63 0.120 -34.114 37.248 1.00 13.41 ATOM 997 N GLU 64 0.289 -36.251 36.566 1.00 74.52 ATOM 998 HN GLU 64 0.472 -36.866 35.816 1.00 37.60 ATOM 999 CA GLU 64 0.009 -36.809 37.884 1.00 2.31 ATOM 1000 HA GLU 64 -0.744 -36.196 38.366 1.00 12.12 ATOM 1001 CB GLU 64 -0.535 -38.233 37.755 1.00 25.14 ATOM 1002 HB1 GLU 64 0.171 -38.825 37.191 1.00 37.60 ATOM 1003 HB2 GLU 64 -1.471 -38.192 37.213 1.00 31.15 ATOM 1004 CG GLU 64 -0.772 -38.917 39.091 1.00 14.13 ATOM 1005 HG1 GLU 64 -1.247 -38.220 39.769 1.00 37.60 ATOM 1006 HG2 GLU 64 0.179 -39.223 39.500 1.00 52.02 ATOM 1007 CD GLU 64 -1.656 -40.143 38.970 1.00 53.10 ATOM 1008 OE1 GLU 64 -1.775 -40.681 37.850 1.00 63.25 ATOM 1009 OE2 GLU 64 -2.230 -40.564 39.997 1.00 64.15 ATOM 1010 C GLU 64 1.264 -36.808 38.752 1.00 22.12 ATOM 1011 O GLU 64 1.219 -36.450 39.929 1.00 31.44 ATOM 1012 N LYS 65 2.384 -37.212 38.163 1.00 43.14 ATOM 1013 HN LYS 65 2.361 -37.514 37.224 1.00 37.60 ATOM 1014 CA LYS 65 3.653 -37.258 38.879 1.00 22.25 ATOM 1015 HA LYS 65 3.608 -36.562 39.711 1.00 24.01 ATOM 1016 CB LYS 65 3.900 -38.664 39.431 1.00 60.43 ATOM 1017 HB1 LYS 65 4.010 -39.355 38.606 1.00 37.60 ATOM 1018 HB2 LYS 65 3.032 -38.951 40.010 1.00 31.43 ATOM 1019 CG LYS 65 5.135 -38.765 40.309 1.00 64.34 ATOM 1020 HG1 LYS 65 5.201 -37.879 40.929 1.00 37.60 ATOM 1021 HG2 LYS 65 6.012 -38.818 39.678 1.00 33.33 ATOM 1022 CD LYS 65 5.076 -39.981 41.218 1.00 75.32 ATOM 1023 HD1 LYS 65 4.046 -40.217 41.458 1.00 37.60 ATOM 1024 HD2 LYS 65 5.607 -39.750 42.130 1.00 53.32 ATOM 1025 CE LYS 65 5.733 -41.192 40.574 1.00 45.24 ATOM 1026 HE1 LYS 65 6.778 -41.203 40.846 1.00 37.60 ATOM 1027 HE2 LYS 65 5.644 -41.128 39.496 1.00 74.11 ATOM 1028 NZ LYS 65 5.108 -42.467 41.021 1.00 12.11 ATOM 1029 HZ1 LYS 65 5.197 -42.572 42.053 1.00 3.05 ATOM 1030 HZ2 LYS 65 5.580 -43.273 40.564 1.00 23.33 ATOM 1031 HZ3 LYS 65 4.098 -42.484 40.766 1.00 14.43 ATOM 1032 C LYS 65 4.807 -36.847 37.970 1.00 20.44 ATOM 1033 O LYS 65 4.839 -37.202 36.792 1.00 72.20 ATOM 1034 N VAL 66 5.754 -36.098 38.526 1.00 64.41 ATOM 1035 HN VAL 66 5.671 -35.831 39.472 1.00 37.60 ATOM 1036 CA VAL 66 6.912 -35.642 37.766 1.00 53.43 ATOM 1037 HA VAL 66 7.032 -36.282 36.896 1.00 41.12 ATOM 1038 CB VAL 66 6.729 -34.190 37.284 1.00 63.23 ATOM 1039 HB VAL 66 5.718 -34.075 36.918 1.00 12.53 ATOM 1040 CG1 VAL 66 6.932 -33.216 38.434 1.00 15.12 ATOM 1041 HG11 VAL 66 6.551 -33.635 39.358 1.00 25.52 ATOM 1042 HG12 VAL 66 6.395 -32.305 38.217 1.00 14.31 ATOM 1043 HG13 VAL 66 7.979 -32.984 38.546 1.00 10.11 ATOM 1044 CG2 VAL 66 7.686 -33.885 36.141 1.00 11.51 ATOM 1045 HG21 VAL 66 7.714 -34.712 35.448 1.00 13.45 ATOM 1046 HG22 VAL 66 8.681 -33.707 36.524 1.00 52.53 ATOM 1047 HG23 VAL 66 7.349 -33.004 35.633 1.00 52.24 ATOM 1048 C VAL 66 8.186 -35.733 38.597 1.00 23.12 ATOM 1049 O VAL 66 8.135 -35.811 39.825 1.00 72.21 ATOM 1050 N TYR 67 9.329 -35.723 37.921 1.00 43.55 ATOM 1051 HN TYR 67 9.319 -35.705 36.940 1.00 37.60 ATOM 1052 CA TYR 67 10.618 -35.806 38.596 1.00 25.35 ATOM 1053 HA TYR 67 10.466 -36.026 39.638 1.00 62.02 ATOM 1054 CB TYR 67 11.459 -36.936 37.999 1.00 33.21 ATOM 1055 HB1 TYR 67 12.432 -36.943 38.474 1.00 37.60 ATOM 1056 HB2 TYR 67 11.589 -36.762 36.943 1.00 65.10 ATOM 1057 CG TYR 67 10.853 -38.308 38.192 1.00 70.13 ATOM 1058 CD1 TYR 67 10.919 -39.266 37.187 1.00 14.41 ATOM 1059 HD1 TYR 67 11.407 -39.020 36.265 1.00 41.21 ATOM 1060 CD2 TYR 67 10.216 -38.647 39.379 1.00 32.11 ATOM 1061 HD2 TYR 67 10.154 -37.929 40.180 1.00 72.40 ATOM 1062 CE1 TYR 67 10.366 -40.520 37.359 1.00 52.14 ATOM 1063 HE1 TYR 67 10.429 -41.254 36.577 1.00 54.54 ATOM 1064 CE2 TYR 67 9.661 -39.900 39.560 1.00 44.50 ATOM 1065 HE2 TYR 67 9.170 -40.144 40.490 1.00 11.50 ATOM 1066 CZ TYR 67 9.739 -40.832 38.547 1.00 74.23 ATOM 1067 OH TYR 67 9.188 -42.081 38.722 1.00 71.00 ATOM 1068 HH TYR 67 8.228 -42.024 38.682 1.00 15.33 ATOM 1069 C TYR 67 11.375 -34.485 38.493 1.00 72.43 ATOM 1070 O TYR 67 12.252 -34.307 37.647 1.00 74.10 ATOM 1071 N PRO 68 11.029 -33.536 39.374 1.00 14.25 ATOM 1072 CA PRO 68 11.663 -32.214 39.404 1.00 34.45 ATOM 1073 HA PRO 68 11.633 -31.745 38.444 1.00 55.04 ATOM 1074 CB PRO 68 10.799 -31.429 40.395 1.00 62.20 ATOM 1075 HB1 PRO 68 10.036 -30.891 39.853 1.00 37.60 ATOM 1076 HB2 PRO 68 11.400 -30.727 40.961 1.00 24.10 ATOM 1077 CG PRO 68 10.195 -32.467 41.277 1.00 63.02 ATOM 1078 HG1 PRO 68 9.248 -32.118 41.660 1.00 37.60 ATOM 1079 HG2 PRO 68 10.869 -32.696 42.090 1.00 21.33 ATOM 1080 CD PRO 68 9.992 -33.679 40.410 1.00 20.25 ATOM 1081 HD1 PRO 68 9.020 -33.654 39.994 1.00 37.60 ATOM 1082 HD2 PRO 68 10.136 -34.574 40.994 1.00 71.13 ATOM 1083 C PRO 68 13.107 -32.275 39.889 1.00 62.32 ATOM 1084 O PRO 68 13.895 -31.365 39.634 1.00 62.43 ATOM 1085 N GLU 69 13.447 -33.354 40.588 1.00 1.42 ATOM 1086 HN GLU 69 12.777 -34.042 40.797 1.00 37.60 ATOM 1087 CA GLU 69 14.798 -33.532 41.108 1.00 12.50 ATOM 1088 HA GLU 69 15.468 -32.841 40.614 1.00 45.44 ATOM 1089 CB GLU 69 14.836 -33.226 42.607 1.00 73.02 ATOM 1090 HB1 GLU 69 14.767 -32.156 42.739 1.00 37.60 ATOM 1091 HB2 GLU 69 15.780 -33.564 43.020 1.00 33.42 ATOM 1092 CG GLU 69 13.702 -33.869 43.388 1.00 51.22 ATOM 1093 HG1 GLU 69 13.662 -34.923 43.160 1.00 37.60 ATOM 1094 HG2 GLU 69 12.773 -33.405 43.094 1.00 11.43 ATOM 1095 CD GLU 69 13.861 -33.708 44.887 1.00 4.41 ATOM 1096 OE1 GLU 69 13.175 -34.433 45.637 1.00 0.35 ATOM 1097 OE2 GLU 69 14.672 -32.857 45.310 1.00 14.11 ATOM 1098 C GLU 69 15.296 -34.952 40.854 1.00 13.55 ATOM 1099 O GLU 69 15.407 -35.770 41.768 1.00 40.33 ATOM 1100 N PRO 70 15.602 -35.253 39.584 1.00 42.52 ATOM 1101 CA PRO 70 16.093 -36.573 39.179 1.00 21.35 ATOM 1102 HA PRO 70 15.425 -37.358 39.509 1.00 44.25 ATOM 1103 CB PRO 70 16.080 -36.504 37.650 1.00 12.14 ATOM 1104 HB1 PRO 70 15.146 -36.901 37.283 1.00 37.60 ATOM 1105 HB2 PRO 70 16.896 -37.076 37.245 1.00 53.03 ATOM 1106 CG PRO 70 16.205 -35.053 37.336 1.00 32.00 ATOM 1107 HG1 PRO 70 15.735 -34.841 36.387 1.00 37.60 ATOM 1108 HG2 PRO 70 17.247 -34.771 37.311 1.00 63.24 ATOM 1109 CD PRO 70 15.494 -34.326 38.444 1.00 32.51 ATOM 1110 HD1 PRO 70 14.470 -34.150 38.184 1.00 37.60 ATOM 1111 HD2 PRO 70 15.996 -33.394 38.651 1.00 14.53 ATOM 1112 C PRO 70 17.504 -36.848 39.688 1.00 42.00 ATOM 1113 O PRO 70 18.347 -35.952 39.721 1.00 4.34 ATOM 1114 N ARG 71 17.754 -38.092 40.083 1.00 63.24 ATOM 1115 HN ARG 71 17.033 -38.760 40.065 1.00 37.60 ATOM 1116 CA ARG 71 19.064 -38.484 40.590 1.00 34.11 ATOM 1117 HA ARG 71 19.715 -37.621 40.614 1.00 63.11 ATOM 1118 CB ARG 71 18.938 -39.045 42.008 1.00 52.31 ATOM 1119 HB1 ARG 71 19.911 -39.376 42.349 1.00 37.60 ATOM 1120 HB2 ARG 71 18.267 -39.892 41.990 1.00 5.20 ATOM 1121 CG ARG 71 18.401 -38.040 43.014 1.00 32.35 ATOM 1122 HG1 ARG 71 18.351 -38.512 43.985 1.00 37.60 ATOM 1123 HG2 ARG 71 17.411 -37.734 42.709 1.00 60.41 ATOM 1124 CD ARG 71 19.291 -36.810 43.103 1.00 33.53 ATOM 1125 HD1 ARG 71 19.087 -36.172 42.255 1.00 37.60 ATOM 1126 HD2 ARG 71 20.327 -37.128 43.075 1.00 32.53 ATOM 1127 NE ARG 71 19.061 -36.056 44.332 1.00 33.15 ATOM 1128 HE ARG 71 18.253 -36.265 44.857 1.00 22.43 ATOM 1129 CZ ARG 71 19.876 -35.105 44.774 1.00 14.42 ATOM 1130 NH1 ARG 71 20.968 -34.793 44.091 1.00 50.34 ATOM 1131 HH11 ARG 71 21.202 -35.255 43.239 1.00 31.00 ATOM 1132 HH12 ARG 71 21.577 -34.076 44.435 1.00 44.02 ATOM 1133 NH2 ARG 71 19.598 -34.463 45.902 1.00 43.31 ATOM 1134 HH21 ARG 71 18.773 -34.694 46.423 1.00 54.11 ATOM 1135 HH22 ARG 71 20.211 -33.745 46.238 1.00 61.14 ATOM 1136 C ARG 71 19.712 -39.521 39.677 1.00 5.35 ATOM 1137 O ARG 71 20.936 -39.652 39.641 1.00 11.54 ATOM 1138 N SER 72 18.884 -40.255 38.942 1.00 21.42 ATOM 1139 HN SER 72 17.916 -40.132 39.003 1.00 37.60 ATOM 1140 CA SER 72 19.377 -41.283 38.033 1.00 75.42 ATOM 1141 HA SER 72 20.455 -41.350 38.113 1.00 13.40 ATOM 1142 CB SER 72 18.784 -42.645 38.400 1.00 60.31 ATOM 1143 HB1 SER 72 19.405 -43.427 37.989 1.00 37.60 ATOM 1144 HB2 SER 72 17.781 -42.735 38.000 1.00 71.50 ATOM 1145 OG SER 72 18.719 -42.811 39.806 1.00 51.12 ATOM 1146 HG SER 72 17.940 -42.365 40.149 1.00 5.44 ATOM 1147 C SER 72 19.033 -40.940 36.587 1.00 54.43 ATOM 1148 O SER 72 18.464 -39.885 36.307 1.00 14.04 ATOM 1149 N GLU 73 19.383 -41.838 35.672 1.00 72.41 ATOM 1150 HN GLU 73 19.840 -42.667 35.952 1.00 37.60 ATOM 1151 CA GLU 73 19.112 -41.630 34.254 1.00 1.13 ATOM 1152 HA GLU 73 19.274 -40.580 34.029 1.00 13.23 ATOM 1153 CB GLU 73 20.063 -42.472 33.401 1.00 32.54 ATOM 1154 HB1 GLU 73 19.712 -43.496 33.366 1.00 37.60 ATOM 1155 HB2 GLU 73 21.042 -42.458 33.864 1.00 1.25 ATOM 1156 CG GLU 73 20.212 -41.967 31.976 1.00 10.14 ATOM 1157 HG1 GLU 73 20.525 -40.935 32.011 1.00 37.60 ATOM 1158 HG2 GLU 73 19.257 -42.038 31.478 1.00 4.34 ATOM 1159 CD GLU 73 21.234 -42.756 31.181 1.00 32.43 ATOM 1160 OE1 GLU 73 22.152 -43.333 31.801 1.00 75.31 ATOM 1161 OE2 GLU 73 21.115 -42.797 29.939 1.00 72.13 ATOM 1162 C GLU 73 17.665 -41.980 33.919 1.00 21.35 ATOM 1163 O GLU 73 17.019 -41.300 33.122 1.00 21.42 ATOM 1164 N SER 74 17.163 -43.046 34.534 1.00 21.53 ATOM 1165 HN SER 74 17.731 -43.563 35.153 1.00 37.60 ATOM 1166 CA SER 74 15.794 -43.491 34.299 1.00 43.31 ATOM 1167 HA SER 74 15.703 -43.760 33.256 1.00 1.32 ATOM 1168 CB SER 74 15.480 -44.719 35.155 1.00 12.23 ATOM 1169 HB1 SER 74 14.449 -45.014 35.005 1.00 37.60 ATOM 1170 HB2 SER 74 15.638 -44.481 36.196 1.00 42.51 ATOM 1171 OG SER 74 16.315 -45.810 34.808 1.00 34.01 ATOM 1172 HG SER 74 15.990 -46.609 35.230 1.00 51.12 ATOM 1173 C SER 74 14.801 -42.375 34.606 1.00 55.41 ATOM 1174 O SER 74 13.886 -42.112 33.826 1.00 73.42 ATOM 1175 N GLU 75 14.988 -41.721 35.748 1.00 23.23 ATOM 1176 HN GLU 75 15.739 -41.976 36.336 1.00 37.60 ATOM 1177 CA GLU 75 14.108 -40.634 36.159 1.00 10.22 ATOM 1178 HA GLU 75 13.083 -40.979 36.082 1.00 42.51 ATOM 1179 CB GLU 75 14.396 -40.234 37.608 1.00 45.03 ATOM 1180 HB1 GLU 75 14.062 -39.213 37.761 1.00 37.60 ATOM 1181 HB2 GLU 75 15.464 -40.277 37.778 1.00 12.52 ATOM 1182 CG GLU 75 13.718 -41.128 38.632 1.00 1.44 ATOM 1183 HG1 GLU 75 14.430 -41.866 38.969 1.00 37.60 ATOM 1184 HG2 GLU 75 12.871 -41.629 38.179 1.00 30.52 ATOM 1185 CD GLU 75 13.219 -40.357 39.839 1.00 5.03 ATOM 1186 OE1 GLU 75 12.252 -40.820 40.480 1.00 50.35 ATOM 1187 OE2 GLU 75 13.796 -39.292 40.144 1.00 52.14 ATOM 1188 C GLU 75 14.273 -39.424 35.244 1.00 64.24 ATOM 1189 O GLU 75 13.326 -38.670 35.016 1.00 63.50 ATOM 1190 N CYS 76 15.482 -39.245 34.722 1.00 20.43 ATOM 1191 HN CYS 76 16.209 -39.868 34.951 1.00 37.60 ATOM 1192 CA CYS 76 15.773 -38.127 33.832 1.00 1.15 ATOM 1193 HA CYS 76 15.440 -37.215 34.314 1.00 63.34 ATOM 1194 CB CYS 76 17.276 -38.040 33.563 1.00 21.31 ATOM 1195 HB1 CYS 76 17.451 -37.603 32.586 1.00 37.60 ATOM 1196 HB2 CYS 76 17.707 -39.028 33.583 1.00 24.00 ATOM 1197 SG CYS 76 18.184 -37.032 34.759 1.00 75.41 ATOM 1198 HG CYS 76 17.516 -35.901 34.931 1.00 41.12 ATOM 1199 C CYS 76 15.016 -38.268 32.516 1.00 15.13 ATOM 1200 O CYS 76 14.558 -37.279 31.942 1.00 44.14 ATOM 1201 N LEU 77 14.887 -39.502 32.043 1.00 63.41 ATOM 1202 HN LEU 77 15.274 -40.260 32.541 1.00 37.60 ATOM 1203 CA LEU 77 14.186 -39.774 30.793 1.00 42.54 ATOM 1204 HA LEU 77 14.398 -38.971 30.097 1.00 52.34 ATOM 1205 CB LEU 77 14.679 -41.087 30.183 1.00 31.23 ATOM 1206 HB1 LEU 77 14.043 -41.341 29.341 1.00 37.60 ATOM 1207 HB2 LEU 77 14.555 -41.855 30.938 1.00 21.33 ATOM 1208 CG LEU 77 16.133 -41.104 29.711 1.00 61.31 ATOM 1209 HG LEU 77 16.753 -40.606 30.444 1.00 24.24 ATOM 1210 CD1 LEU 77 16.633 -42.534 29.575 1.00 63.02 ATOM 1211 HD11 LEU 77 16.040 -43.060 28.839 1.00 63.32 ATOM 1212 HD12 LEU 77 16.552 -43.038 30.528 1.00 1.44 ATOM 1213 HD13 LEU 77 17.669 -42.528 29.264 1.00 51.34 ATOM 1214 CD2 LEU 77 16.274 -40.360 28.391 1.00 31.11 ATOM 1215 HD21 LEU 77 17.285 -40.446 28.028 1.00 21.23 ATOM 1216 HD22 LEU 77 16.035 -39.317 28.539 1.00 21.31 ATOM 1217 HD23 LEU 77 15.597 -40.783 27.660 1.00 34.25 ATOM 1218 C LEU 77 12.679 -39.837 31.016 1.00 32.34 ATOM 1219 O LEU 77 11.894 -39.585 30.102 1.00 62.41 ATOM 1220 N SER 78 12.281 -40.174 32.239 1.00 11.22 ATOM 1221 HN SER 78 12.950 -40.380 32.931 1.00 37.60 ATOM 1222 CA SER 78 10.867 -40.272 32.583 1.00 22.01 ATOM 1223 HA SER 78 10.415 -41.012 31.936 1.00 63.30 ATOM 1224 CB SER 78 10.704 -40.719 34.037 1.00 2.32 ATOM 1225 HB1 SER 78 10.536 -39.863 34.660 1.00 37.60 ATOM 1226 HB2 SER 78 11.594 -41.234 34.371 1.00 2.34 ATOM 1227 OG SER 78 9.601 -41.596 34.181 1.00 55.14 ATOM 1228 HG SER 78 9.854 -42.482 33.907 1.00 72.44 ATOM 1229 C SER 78 10.162 -38.937 32.367 1.00 15.33 ATOM 1230 O SER 78 9.048 -38.888 31.847 1.00 13.03 ATOM 1231 N ASN 79 10.819 -37.855 32.771 1.00 5.22 ATOM 1232 HN ASN 79 11.703 -37.955 33.199 1.00 37.60 ATOM 1233 CA ASN 79 10.256 -36.518 32.623 1.00 11.11 ATOM 1234 HA ASN 79 9.390 -36.448 33.267 1.00 2.32 ATOM 1235 CB ASN 79 11.284 -35.460 33.029 1.00 25.40 ATOM 1236 HB1 ASN 79 10.966 -34.517 32.642 1.00 37.60 ATOM 1237 HB2 ASN 79 12.251 -35.712 32.619 1.00 51.21 ATOM 1238 CG ASN 79 11.402 -35.316 34.534 1.00 22.21 ATOM 1239 OD1 ASN 79 10.441 -35.545 35.268 1.00 75.02 ATOM 1240 ND2 ASN 79 12.585 -34.935 35.001 1.00 43.51 ATOM 1241 HD21 ASN 79 13.318 -34.765 34.367 1.00 1.44 ATOM 1242 HD22 ASN 79 12.683 -34.839 35.970 1.00 5.01 ATOM 1243 C ASN 79 9.800 -36.276 31.187 1.00 4.53 ATOM 1244 O ASN 79 8.702 -35.772 30.951 1.00 50.33 ATOM 1245 N ILE 80 10.651 -36.638 30.233 1.00 23.03 ATOM 1246 HN ILE 80 11.512 -37.048 30.483 1.00 37.60 ATOM 1247 CA ILE 80 10.335 -36.462 28.821 1.00 5.43 ATOM 1248 HA ILE 80 10.043 -35.429 28.664 1.00 61.22 ATOM 1249 CB ILE 80 11.556 -36.759 27.930 1.00 10.51 ATOM 1250 HB ILE 80 11.845 -37.791 28.087 1.00 44.33 ATOM 1251 CG1 ILE 80 12.724 -35.844 28.306 1.00 54.14 ATOM 1252 HG11 ILE 80 12.798 -35.758 29.381 1.00 37.60 ATOM 1253 HG12 ILE 80 12.565 -34.859 27.894 1.00 14.42 ATOM 1254 CG2 ILE 80 11.194 -36.589 26.462 1.00 12.33 ATOM 1255 HG21 ILE 80 12.083 -36.419 25.873 1.00 45.24 ATOM 1256 HG22 ILE 80 10.521 -35.751 26.333 1.00 15.43 ATOM 1257 HG23 ILE 80 10.716 -37.487 26.119 1.00 75.15 ATOM 1258 CD1 ILE 80 14.064 -36.343 27.815 1.00 65.40 ATOM 1259 HD11 ILE 80 14.838 -35.655 28.122 1.00 54.23 ATOM 1260 HD12 ILE 80 14.054 -36.415 26.739 1.00 52.15 ATOM 1261 HD13 ILE 80 14.262 -37.316 28.238 1.00 53.50 ATOM 1262 C ILE 80 9.181 -37.364 28.399 1.00 14.45 ATOM 1263 O ILE 80 8.213 -36.907 27.790 1.00 4.31 ATOM 1264 N ARG 81 9.288 -38.647 28.729 1.00 0.54 ATOM 1265 HN ARG 81 10.092 -38.956 29.213 1.00 37.60 ATOM 1266 CA ARG 81 8.252 -39.613 28.385 1.00 23.24 ATOM 1267 HA ARG 81 8.229 -39.709 27.310 1.00 53.22 ATOM 1268 CB ARG 81 8.565 -40.973 29.012 1.00 4.04 ATOM 1269 HB1 ARG 81 7.636 -41.482 29.248 1.00 37.60 ATOM 1270 HB2 ARG 81 9.118 -40.824 29.929 1.00 32.20 ATOM 1271 CG ARG 81 9.381 -41.886 28.112 1.00 45.43 ATOM 1272 HG1 ARG 81 10.375 -41.476 28.007 1.00 37.60 ATOM 1273 HG2 ARG 81 8.907 -41.940 27.141 1.00 24.02 ATOM 1274 CD ARG 81 9.484 -43.290 28.687 1.00 55.33 ATOM 1275 HD1 ARG 81 8.525 -43.562 29.115 1.00 37.60 ATOM 1276 HD2 ARG 81 10.238 -43.294 29.461 1.00 42.30 ATOM 1277 NE ARG 81 9.844 -44.273 27.669 1.00 72.11 ATOM 1278 HE ARG 81 10.192 -43.940 26.809 1.00 3.43 ATOM 1279 CZ ARG 81 9.733 -45.585 27.843 1.00 31.31 ATOM 1280 NH1 ARG 81 9.274 -46.069 28.989 1.00 11.11 ATOM 1281 HH11 ARG 81 9.007 -45.470 29.740 1.00 12.41 ATOM 1282 HH12 ARG 81 9.191 -47.061 29.108 1.00 23.43 ATOM 1283 NH2 ARG 81 10.081 -46.417 26.869 1.00 2.24 ATOM 1284 HH21 ARG 81 10.428 -46.058 26.000 1.00 44.00 ATOM 1285 HH22 ARG 81 9.998 -47.407 26.998 1.00 15.04 ATOM 1286 C ARG 81 6.882 -39.130 28.850 1.00 34.15 ATOM 1287 O ARG 81 5.918 -39.139 28.085 1.00 10.34 ATOM 1288 N GLU 82 6.804 -38.710 30.109 1.00 34.14 ATOM 1289 HN GLU 82 7.612 -38.737 30.674 1.00 37.60 ATOM 1290 CA GLU 82 5.551 -38.225 30.676 1.00 54.02 ATOM 1291 HA GLU 82 4.857 -39.054 30.690 1.00 22.23 ATOM 1292 CB GLU 82 5.775 -37.707 32.098 1.00 32.11 ATOM 1293 HB1 GLU 82 5.548 -36.658 32.136 1.00 37.60 ATOM 1294 HB2 GLU 82 6.809 -37.842 32.383 1.00 13.41 ATOM 1295 CG GLU 82 4.909 -38.395 33.140 1.00 72.11 ATOM 1296 HG1 GLU 82 3.871 -38.279 32.863 1.00 37.60 ATOM 1297 HG2 GLU 82 5.079 -37.925 34.097 1.00 65.11 ATOM 1298 CD GLU 82 5.215 -39.875 33.269 1.00 44.44 ATOM 1299 OE1 GLU 82 6.076 -40.233 34.099 1.00 2.42 ATOM 1300 OE2 GLU 82 4.594 -40.674 32.538 1.00 34.32 ATOM 1301 C GLU 82 4.953 -37.120 29.809 1.00 62.41 ATOM 1302 O GLU 82 3.775 -37.163 29.454 1.00 61.34 ATOM 1303 N PHE 83 5.774 -36.131 29.472 1.00 23.23 ATOM 1304 HN PHE 83 6.709 -36.150 29.790 1.00 37.60 ATOM 1305 CA PHE 83 5.328 -35.014 28.649 1.00 52.25 ATOM 1306 HA PHE 83 4.540 -34.499 29.180 1.00 63.04 ATOM 1307 CB PHE 83 6.481 -34.037 28.409 1.00 53.14 ATOM 1308 HB1 PHE 83 7.338 -34.591 28.048 1.00 37.60 ATOM 1309 HB2 PHE 83 6.742 -33.568 29.349 1.00 52.25 ATOM 1310 CG PHE 83 6.155 -32.957 27.417 1.00 13.43 ATOM 1311 CD1 PHE 83 6.558 -33.066 26.096 1.00 10.43 ATOM 1312 HD1 PHE 83 7.112 -33.938 25.777 1.00 41.15 ATOM 1313 CD2 PHE 83 5.445 -31.832 27.807 1.00 42.13 ATOM 1314 HD2 PHE 83 5.117 -31.738 28.832 1.00 11.20 ATOM 1315 CE1 PHE 83 6.259 -32.074 25.181 1.00 3.43 ATOM 1316 HE1 PHE 83 6.579 -32.171 24.154 1.00 64.12 ATOM 1317 CE2 PHE 83 5.143 -30.837 26.896 1.00 2.02 ATOM 1318 HE2 PHE 83 4.590 -29.965 27.212 1.00 22.02 ATOM 1319 CZ PHE 83 5.552 -30.957 25.582 1.00 32.32 ATOM 1320 HZ PHE 83 5.334 -30.188 24.871 1.00 32.50 ATOM 1321 C PHE 83 4.779 -35.508 27.313 1.00 13.23 ATOM 1322 O PHE 83 3.740 -35.040 26.844 1.00 3.35 ATOM 1323 N LEU 84 5.483 -36.456 26.705 1.00 1.04 ATOM 1324 HN LEU 84 6.302 -36.800 27.133 1.00 37.60 ATOM 1325 CA LEU 84 5.068 -37.014 25.423 1.00 32.43 ATOM 1326 HA LEU 84 4.859 -36.195 24.746 1.00 44.31 ATOM 1327 CB LEU 84 6.190 -37.866 24.828 1.00 23.10 ATOM 1328 HB1 LEU 84 5.875 -38.214 23.851 1.00 37.60 ATOM 1329 HB2 LEU 84 6.312 -38.735 25.469 1.00 13.23 ATOM 1330 CG LEU 84 7.551 -37.182 24.690 1.00 53.25 ATOM 1331 HG LEU 84 7.744 -36.571 25.553 1.00 5.42 ATOM 1332 CD1 LEU 84 8.662 -38.216 24.600 1.00 71.20 ATOM 1333 HD11 LEU 84 8.393 -38.986 23.890 1.00 34.13 ATOM 1334 HD12 LEU 84 8.810 -38.663 25.568 1.00 2.52 ATOM 1335 HD13 LEU 84 9.584 -37.745 24.284 1.00 73.33 ATOM 1336 CD2 LEU 84 7.568 -36.271 23.471 1.00 51.04 ATOM 1337 HD21 LEU 84 6.894 -36.633 22.725 1.00 53.32 ATOM 1338 HD22 LEU 84 8.564 -36.218 23.054 1.00 43.52 ATOM 1339 HD23 LEU 84 7.261 -35.280 23.771 1.00 33.03 ATOM 1340 C LEU 84 3.804 -37.855 25.579 1.00 3.20 ATOM 1341 O LEU 84 3.029 -38.008 24.635 1.00 31.32 ATOM 1342 N ARG 85 3.603 -38.395 26.777 1.00 50.25 ATOM 1343 HN ARG 85 4.264 -38.264 27.488 1.00 37.60 ATOM 1344 CA ARG 85 2.433 -39.219 27.056 1.00 1.42 ATOM 1345 HA ARG 85 2.315 -39.919 26.238 1.00 54.34 ATOM 1346 CB ARG 85 2.628 -39.992 28.361 1.00 31.44 ATOM 1347 HB1 ARG 85 2.277 -39.395 29.194 1.00 37.60 ATOM 1348 HB2 ARG 85 3.686 -40.182 28.504 1.00 0.21 ATOM 1349 CG ARG 85 1.895 -41.323 28.396 1.00 73.34 ATOM 1350 HG1 ARG 85 0.887 -41.187 28.028 1.00 37.60 ATOM 1351 HG2 ARG 85 1.858 -41.672 29.418 1.00 70.31 ATOM 1352 CD ARG 85 2.597 -42.369 27.543 1.00 3.53 ATOM 1353 HD1 ARG 85 2.943 -41.912 26.625 1.00 37.60 ATOM 1354 HD2 ARG 85 1.890 -43.146 27.291 1.00 12.43 ATOM 1355 NE ARG 85 3.745 -42.954 28.231 1.00 42.12 ATOM 1356 HE ARG 85 4.636 -42.629 27.977 1.00 42.24 ATOM 1357 CZ ARG 85 3.642 -43.889 29.168 1.00 33.23 ATOM 1358 NH1 ARG 85 2.449 -44.343 29.528 1.00 60.33 ATOM 1359 HH11 ARG 85 1.611 -43.998 29.114 1.00 62.52 ATOM 1360 HH12 ARG 85 2.384 -45.052 30.234 1.00 10.40 ATOM 1361 NH2 ARG 85 4.733 -44.373 29.748 1.00 50.20 ATOM 1362 HH21 ARG 85 5.638 -44.035 29.481 1.00 32.15 ATOM 1363 HH22 ARG 85 4.657 -45.079 30.456 1.00 21.54 ATOM 1364 C ARG 85 1.173 -38.362 27.143 1.00 23.14 ATOM 1365 O ARG 85 0.085 -38.800 26.771 1.00 25.15 ATOM 1366 N GLY 86 1.329 -37.138 27.638 1.00 1.24 ATOM 1367 HN GLY 86 2.211 -36.830 27.942 1.00 37.60 ATOM 1368 CA GLY 86 0.196 -36.240 27.766 1.00 3.33 ATOM 1369 HA1 GLY 86 0.442 -35.476 28.475 1.00 37.60 ATOM 1370 HA2 GLY 86 -0.662 -36.788 28.138 1.00 74.10 ATOM 1371 C GLY 86 -0.176 -35.585 26.451 1.00 73.53 ATOM 1372 O GLY 86 -1.289 -35.764 25.954 1.00 61.51 ATOM 1373 N CYS 87 0.754 -34.824 25.886 1.00 65.41 ATOM 1374 HN CYS 87 1.628 -34.718 26.334 1.00 37.60 ATOM 1375 CA CYS 87 0.517 -34.139 24.621 1.00 41.34 ATOM 1376 HA CYS 87 -0.301 -33.445 24.766 1.00 44.43 ATOM 1377 CB CYS 87 1.769 -33.373 24.189 1.00 13.10 ATOM 1378 HB1 CYS 87 1.796 -33.288 23.110 1.00 37.60 ATOM 1379 HB2 CYS 87 2.648 -33.909 24.517 1.00 11.32 ATOM 1380 SG CYS 87 1.876 -31.697 24.858 1.00 12.33 ATOM 1381 HG CYS 87 0.671 -31.150 24.786 1.00 12.33 ATOM 1382 C CYS 87 0.112 -35.129 23.533 1.00 13.44 ATOM 1383 O CYS 87 -0.636 -34.789 22.618 1.00 50.35 ATOM 1384 N GLY 88 0.612 -36.356 23.641 1.00 44.22 ATOM 1385 HN GLY 88 1.235 -36.582 24.365 1.00 37.60 ATOM 1386 CA GLY 88 0.293 -37.376 22.659 1.00 13.14 ATOM 1387 HA1 GLY 88 1.105 -38.087 22.629 1.00 37.60 ATOM 1388 HA2 GLY 88 0.193 -36.928 21.677 1.00 52.15 ATOM 1389 C GLY 88 -0.985 -38.121 22.992 1.00 3.24 ATOM 1390 O GLY 88 -1.470 -38.921 22.194 1.00 73.41 ATOM 1391 N ALA 89 -1.530 -37.858 24.176 1.00 63.23 ATOM 1392 HN ALA 89 -1.114 -37.221 24.774 1.00 37.60 ATOM 1393 CA ALA 89 -2.758 -38.509 24.612 1.00 34.43 ATOM 1394 HA ALA 89 -2.821 -39.488 24.150 1.00 73.44 ATOM 1395 CB ALA 89 -2.739 -38.717 26.119 1.00 11.25 ATOM 1396 HB1 ALA 89 -2.104 -39.556 26.352 1.00 20.51 ATOM 1397 HB2 ALA 89 -3.739 -38.925 26.480 1.00 11.41 ATOM 1398 HB3 ALA 89 -2.360 -37.834 26.608 1.00 74.24 ATOM 1399 C ALA 89 -3.984 -37.700 24.203 1.00 11.55 ATOM 1400 O ALA 89 -4.794 -38.148 23.392 1.00 31.13 ATOM 1401 N SER 90 -4.114 -36.505 24.771 1.00 54.41 ATOM 1402 HN SER 90 -3.420 -36.187 25.398 1.00 37.60 ATOM 1403 CA SER 90 -5.244 -35.634 24.469 1.00 53.14 ATOM 1404 HA SER 90 -6.148 -36.232 24.470 1.00 25.25 ATOM 1405 CB SER 90 -5.379 -34.547 25.537 1.00 25.54 ATOM 1406 HB1 SER 90 -4.408 -34.119 25.738 1.00 37.60 ATOM 1407 HB2 SER 90 -5.774 -34.982 26.442 1.00 64.44 ATOM 1408 OG SER 90 -6.251 -33.516 25.110 1.00 71.25 ATOM 1409 HG SER 90 -6.337 -32.861 25.806 1.00 54.42 ATOM 1410 C SER 90 -5.084 -34.993 23.093 1.00 23.13 ATOM 1411 O SER 90 -5.875 -35.242 22.183 1.00 14.11 ATOM 1412 N LEU 91 -4.054 -34.167 22.950 1.00 45.25 ATOM 1413 HN LEU 91 -3.445 -34.018 23.713 1.00 37.60 ATOM 1414 CA LEU 91 -3.787 -33.489 21.686 1.00 51.15 ATOM 1415 HA LEU 91 -4.688 -32.966 21.387 1.00 31.24 ATOM 1416 CB LEU 91 -2.652 -32.478 21.856 1.00 42.12 ATOM 1417 HB1 LEU 91 -2.086 -32.436 20.934 1.00 37.60 ATOM 1418 HB2 LEU 91 -1.992 -32.848 22.628 1.00 54.53 ATOM 1419 CG LEU 91 -3.071 -31.054 22.223 1.00 43.12 ATOM 1420 HG LEU 91 -3.944 -31.087 22.861 1.00 53.15 ATOM 1421 CD1 LEU 91 -1.963 -30.354 22.996 1.00 74.25 ATOM 1422 HD11 LEU 91 -1.106 -30.203 22.361 1.00 14.00 ATOM 1423 HD12 LEU 91 -1.676 -30.954 23.849 1.00 44.40 ATOM 1424 HD13 LEU 91 -2.322 -29.396 23.343 1.00 70.35 ATOM 1425 CD2 LEU 91 -3.432 -30.265 20.973 1.00 64.15 ATOM 1426 HD21 LEU 91 -3.610 -29.228 21.225 1.00 42.51 ATOM 1427 HD22 LEU 91 -4.327 -30.683 20.535 1.00 25.45 ATOM 1428 HD23 LEU 91 -2.625 -30.332 20.263 1.00 2.30 ATOM 1429 C LEU 91 -3.430 -34.493 20.594 1.00 1.20 ATOM 1430 O LEU 91 -3.802 -34.321 19.433 1.00 3.21 ATOM 1431 N ARG 92 -2.708 -35.542 20.975 1.00 15.22 ATOM 1432 HN ARG 92 -2.418 -35.632 21.909 1.00 37.60 ATOM 1433 CA ARG 92 -2.302 -36.574 20.029 1.00 11.01 ATOM 1434 HA ARG 92 -1.733 -37.307 20.557 1.00 11.14 ATOM 1435 CB ARG 92 -3.532 -37.244 19.413 1.00 42.41 ATOM 1436 HB1 ARG 92 -3.200 -38.072 18.801 1.00 37.60 ATOM 1437 HB2 ARG 92 -4.053 -36.537 18.784 1.00 22.10 ATOM 1438 CG ARG 92 -4.511 -37.784 20.442 1.00 11.12 ATOM 1439 HG1 ARG 92 -4.837 -36.980 21.072 1.00 37.60 ATOM 1440 HG2 ARG 92 -4.012 -38.531 21.040 1.00 22.02 ATOM 1441 CD ARG 92 -5.724 -38.416 19.779 1.00 74.25 ATOM 1442 HD1 ARG 92 -6.102 -37.742 19.020 1.00 37.60 ATOM 1443 HD2 ARG 92 -6.493 -38.563 20.524 1.00 60.21 ATOM 1444 NE ARG 92 -5.401 -39.694 19.150 1.00 23.11 ATOM 1445 HE ARG 92 -5.317 -39.706 18.171 1.00 35.44 ATOM 1446 CZ ARG 92 -5.218 -40.821 19.829 1.00 63.34 ATOM 1447 NH1 ARG 92 -5.327 -40.829 21.150 1.00 45.30 ATOM 1448 HH11 ARG 92 -5.545 -40.004 21.664 1.00 35.13 ATOM 1449 HH12 ARG 92 -5.187 -41.686 21.650 1.00 34.24 ATOM 1450 NH2 ARG 92 -4.926 -41.944 19.185 1.00 24.52 ATOM 1451 HH21 ARG 92 -4.843 -41.945 18.186 1.00 0.21 ATOM 1452 HH22 ARG 92 -4.787 -42.796 19.694 1.00 60.14 ATOM 1453 C ARG 92 -1.424 -35.987 18.928 1.00 40.11 ATOM 1454 O ARG 92 -1.388 -36.499 17.808 1.00 13.12 ATOM 1455 N LEU 93 -0.718 -34.910 19.253 1.00 5.10 ATOM 1456 HN LEU 93 -0.769 -34.561 20.166 1.00 37.60 ATOM 1457 CA LEU 93 0.161 -34.252 18.292 1.00 73.13 ATOM 1458 HA LEU 93 -0.377 -34.137 17.359 1.00 13.50 ATOM 1459 CB LEU 93 0.557 -32.865 18.800 1.00 40.45 ATOM 1460 HB1 LEU 93 -0.355 -32.284 18.841 1.00 37.60 ATOM 1461 HB2 LEU 93 1.206 -32.393 18.073 1.00 64.23 ATOM 1462 CG LEU 93 1.216 -32.818 20.179 1.00 40.45 ATOM 1463 HG LEU 93 0.910 -33.667 20.771 1.00 23.22 ATOM 1464 CD1 LEU 93 2.730 -32.883 20.049 1.00 31.32 ATOM 1465 HD11 LEU 93 3.014 -33.903 19.882 1.00 61.44 ATOM 1466 HD12 LEU 93 3.197 -32.538 20.964 1.00 45.43 ATOM 1467 HD13 LEU 93 3.069 -32.271 19.223 1.00 12.10 ATOM 1468 CD2 LEU 93 0.797 -31.561 20.927 1.00 11.13 ATOM 1469 HD21 LEU 93 -0.271 -31.514 20.982 1.00 24.40 ATOM 1470 HD22 LEU 93 1.163 -30.692 20.403 1.00 63.15 ATOM 1471 HD23 LEU 93 1.207 -31.576 21.925 1.00 4.03 ATOM 1472 C LEU 93 1.410 -35.088 18.035 1.00 63.22 ATOM 1473 O LEU 93 1.568 -36.173 18.594 1.00 1.21 ATOM 1474 N GLU 94 2.296 -34.574 17.187 1.00 71.51 ATOM 1475 HN GLU 94 2.122 -33.695 16.783 1.00 37.60 ATOM 1476 CA GLU 94 3.532 -35.274 16.858 1.00 63.12 ATOM 1477 HA GLU 94 3.285 -36.305 16.633 1.00 12.42 ATOM 1478 CB GLU 94 4.186 -34.648 15.624 1.00 11.32 ATOM 1479 HB1 GLU 94 4.961 -35.310 15.267 1.00 37.60 ATOM 1480 HB2 GLU 94 4.631 -33.699 15.896 1.00 54.12 ATOM 1481 CG GLU 94 3.215 -34.396 14.483 1.00 42.52 ATOM 1482 HG1 GLU 94 3.783 -34.193 13.587 1.00 37.60 ATOM 1483 HG2 GLU 94 2.607 -33.537 14.721 1.00 20.22 ATOM 1484 CD GLU 94 2.306 -35.580 14.218 1.00 12.30 ATOM 1485 OE1 GLU 94 1.101 -35.359 13.973 1.00 42.42 ATOM 1486 OE2 GLU 94 2.798 -36.727 14.256 1.00 12.43 ATOM 1487 C GLU 94 4.505 -35.243 18.033 1.00 13.34 ATOM 1488 O GLU 94 4.851 -34.175 18.540 1.00 13.02 ATOM 1489 N THR 95 4.942 -36.422 18.464 1.00 63.15 ATOM 1490 HN THR 95 4.642 -37.248 18.020 1.00 37.60 ATOM 1491 CA THR 95 5.873 -36.531 19.580 1.00 71.22 ATOM 1492 HA THR 95 5.961 -35.568 20.074 1.00 24.33 ATOM 1493 CB THR 95 5.380 -37.551 20.624 1.00 3.22 ATOM 1494 HB THR 95 6.107 -37.650 21.406 1.00 51.30 ATOM 1495 OG1 THR 95 5.201 -38.832 20.011 1.00 31.31 ATOM 1496 HG1 THR 95 5.266 -39.522 20.676 1.00 73.03 ATOM 1497 CG2 THR 95 4.071 -37.095 21.250 1.00 0.41 ATOM 1498 HG21 THR 95 4.215 -36.142 21.739 1.00 2.01 ATOM 1499 HG22 THR 95 3.748 -37.826 21.977 1.00 72.31 ATOM 1500 HG23 THR 95 3.317 -36.995 20.482 1.00 22.34 ATOM 1501 C THR 95 7.261 -36.942 19.101 1.00 54.22 ATOM 1502 O THR 95 7.485 -37.130 17.905 1.00 71.50 ATOM 1503 N PHE 96 8.189 -37.079 20.041 1.00 24.31 ATOM 1504 HN PHE 96 7.977 -36.876 20.966 1.00 37.60 ATOM 1505 CA PHE 96 9.556 -37.468 19.714 1.00 5.34 ATOM 1506 HA PHE 96 9.564 -37.940 18.747 1.00 31.11 ATOM 1507 CB PHE 96 10.463 -36.236 19.672 1.00 10.23 ATOM 1508 HB1 PHE 96 10.154 -35.612 18.843 1.00 37.60 ATOM 1509 HB2 PHE 96 11.489 -36.547 19.505 1.00 71.30 ATOM 1510 CG PHE 96 10.406 -35.407 20.924 1.00 44.14 ATOM 1511 CD1 PHE 96 9.404 -34.468 21.104 1.00 75.12 ATOM 1512 HD1 PHE 96 8.656 -34.352 20.344 1.00 30.42 ATOM 1513 CD2 PHE 96 11.357 -35.566 21.919 1.00 34.35 ATOM 1514 HD2 PHE 96 12.146 -36.295 21.794 1.00 44.21 ATOM 1515 CE1 PHE 96 9.348 -33.704 22.254 1.00 3.12 ATOM 1516 HE1 PHE 96 8.568 -32.973 22.386 1.00 24.33 ATOM 1517 CE2 PHE 96 11.306 -34.805 23.072 1.00 22.41 ATOM 1518 HE2 PHE 96 12.053 -34.938 23.841 1.00 51.44 ATOM 1519 CZ PHE 96 10.302 -33.872 23.239 1.00 34.22 ATOM 1520 HZ PHE 96 10.261 -33.276 24.139 1.00 50.20 ATOM 1521 C PHE 96 10.093 -38.474 20.728 1.00 2.34 ATOM 1522 O PHE 96 9.494 -38.689 21.782 1.00 4.55 ATOM 1523 N ASP 97 11.225 -39.087 20.401 1.00 21.45 ATOM 1524 HN ASP 97 11.667 -38.862 19.547 1.00 37.60 ATOM 1525 CA ASP 97 11.844 -40.071 21.283 1.00 51.41 ATOM 1526 HA ASP 97 11.050 -40.643 21.758 1.00 32.44 ATOM 1527 CB ASP 97 12.728 -41.024 20.478 1.00 43.13 ATOM 1528 HB1 ASP 97 13.541 -41.387 21.097 1.00 37.60 ATOM 1529 HB2 ASP 97 13.141 -40.503 19.632 1.00 2.01 ATOM 1530 CG ASP 97 11.964 -42.228 19.963 1.00 15.41 ATOM 1531 OD1 ASP 97 12.513 -43.348 20.017 1.00 45.32 ATOM 1532 OD2 ASP 97 10.815 -42.050 19.507 1.00 13.45 ATOM 1533 C ASP 97 12.669 -39.385 22.367 1.00 3.03 ATOM 1534 O ASP 97 13.561 -38.590 22.073 1.00 51.34 ATOM 1535 N ALA 98 12.365 -39.698 23.622 1.00 31.24 ATOM 1536 HN ALA 98 11.636 -40.340 23.797 1.00 37.60 ATOM 1537 CA ALA 98 13.079 -39.113 24.750 1.00 31.25 ATOM 1538 HA ALA 98 12.845 -38.062 24.782 1.00 72.33 ATOM 1539 CB ALA 98 12.613 -39.744 26.054 1.00 24.34 ATOM 1540 HB1 ALA 98 13.106 -39.264 26.888 1.00 25.52 ATOM 1541 HB2 ALA 98 12.850 -40.799 26.053 1.00 65.53 ATOM 1542 HB3 ALA 98 11.545 -39.618 26.150 1.00 13.31 ATOM 1543 C ALA 98 14.587 -39.277 24.590 1.00 14.52 ATOM 1544 O ALA 98 15.364 -38.452 25.069 1.00 31.34 ATOM 1545 N ASN 99 14.993 -40.346 23.914 1.00 73.04 ATOM 1546 HN ASN 99 14.333 -40.995 23.582 1.00 37.60 ATOM 1547 CA ASN 99 16.408 -40.618 23.691 1.00 2.14 ATOM 1548 HA ASN 99 16.920 -40.560 24.643 1.00 70.13 ATOM 1549 CB ASN 99 16.595 -42.025 23.120 1.00 2.04 ATOM 1550 HB1 ASN 99 17.652 -42.235 23.026 1.00 37.60 ATOM 1551 HB2 ASN 99 16.133 -42.081 22.144 1.00 21.31 ATOM 1552 CG ASN 99 15.974 -43.093 24.000 1.00 54.05 ATOM 1553 OD1 ASN 99 15.057 -43.801 23.582 1.00 42.25 ATOM 1554 ND2 ASN 99 16.471 -43.214 25.225 1.00 51.51 ATOM 1555 HD21 ASN 99 17.204 -42.620 25.506 1.00 73.23 ATOM 1556 HD22 ASN 99 16.083 -43.899 25.809 1.00 1.42 ATOM 1557 C ASN 99 17.018 -39.588 22.745 1.00 10.24 ATOM 1558 O ASN 99 18.159 -39.161 22.927 1.00 35.43 ATOM 1559 N ASP 100 16.250 -39.192 21.736 1.00 22.32 ATOM 1560 HN ASP 100 15.348 -39.577 21.630 1.00 37.60 ATOM 1561 CA ASP 100 16.713 -38.211 20.762 1.00 4.10 ATOM 1562 HA ASP 100 17.637 -38.573 20.330 1.00 2.13 ATOM 1563 CB ASP 100 15.675 -38.031 19.654 1.00 14.10 ATOM 1564 HB1 ASP 100 15.929 -37.164 19.057 1.00 37.60 ATOM 1565 HB2 ASP 100 14.704 -37.882 20.093 1.00 33.43 ATOM 1566 CG ASP 100 15.603 -39.228 18.727 1.00 25.40 ATOM 1567 OD1 ASP 100 16.583 -40.002 18.680 1.00 43.42 ATOM 1568 OD2 ASP 100 14.568 -39.393 18.049 1.00 13.15 ATOM 1569 C ASP 100 16.997 -36.871 21.433 1.00 14.44 ATOM 1570 O ASP 100 17.888 -36.131 21.015 1.00 0.41 ATOM 1571 N LEU 101 16.232 -36.564 22.476 1.00 41.35 ATOM 1572 HN LEU 101 15.528 -37.188 22.770 1.00 37.60 ATOM 1573 CA LEU 101 16.400 -35.312 23.205 1.00 13.50 ATOM 1574 HA LEU 101 16.665 -34.535 22.498 1.00 43.12 ATOM 1575 CB LEU 101 15.090 -34.919 23.892 1.00 63.24 ATOM 1576 HB1 LEU 101 14.704 -35.800 24.390 1.00 37.60 ATOM 1577 HB2 LEU 101 14.386 -34.631 23.135 1.00 65.14 ATOM 1578 CG LEU 101 15.185 -33.799 24.928 1.00 42.54 ATOM 1579 HG LEU 101 15.852 -34.095 25.724 1.00 2.00 ATOM 1580 CD1 LEU 101 15.742 -32.533 24.295 1.00 3.31 ATOM 1581 HD11 LEU 101 15.948 -31.818 25.072 1.00 32.03 ATOM 1582 HD12 LEU 101 15.027 -32.117 23.610 1.00 24.34 ATOM 1583 HD13 LEU 101 16.661 -32.745 23.769 1.00 1.33 ATOM 1584 CD2 LEU 101 13.823 -33.531 25.550 1.00 54.20 ATOM 1585 HD21 LEU 101 13.908 -32.774 26.294 1.00 2.20 ATOM 1586 HD22 LEU 101 13.446 -34.432 25.999 1.00 4.55 ATOM 1587 HD23 LEU 101 13.134 -33.202 24.784 1.00 2.50 ATOM 1588 C LEU 101 17.514 -35.429 24.240 1.00 63.14 ATOM 1589 O LEU 101 18.396 -34.573 24.317 1.00 21.31 ATOM 1590 N TYR 102 17.470 -36.495 25.031 1.00 15.11 ATOM 1591 HN TYR 102 16.735 -37.146 24.925 1.00 37.60 ATOM 1592 CA TYR 102 18.475 -36.725 26.061 1.00 4.44 ATOM 1593 HA TYR 102 18.411 -35.903 26.756 1.00 75.13 ATOM 1594 CB TYR 102 18.202 -38.044 26.785 1.00 65.41 ATOM 1595 HB1 TYR 102 18.597 -38.871 26.205 1.00 37.60 ATOM 1596 HB2 TYR 102 17.131 -38.171 26.884 1.00 63.42 ATOM 1597 CG TYR 102 18.787 -38.103 28.178 1.00 32.22 ATOM 1598 CD1 TYR 102 18.556 -37.084 29.093 1.00 1.43 ATOM 1599 HD1 TYR 102 17.943 -36.245 28.805 1.00 53.03 ATOM 1600 CD2 TYR 102 19.569 -39.179 28.580 1.00 72.33 ATOM 1601 HD2 TYR 102 19.760 -39.983 27.883 1.00 61.24 ATOM 1602 CE1 TYR 102 19.089 -37.133 30.367 1.00 54.00 ATOM 1603 HE1 TYR 102 18.896 -36.331 31.064 1.00 65.20 ATOM 1604 CE2 TYR 102 20.104 -39.238 29.852 1.00 43.21 ATOM 1605 HE2 TYR 102 20.715 -40.075 30.134 1.00 71.42 ATOM 1606 CZ TYR 102 19.862 -38.212 30.742 1.00 72.14 ATOM 1607 OH TYR 102 20.393 -38.266 32.010 1.00 52.30 ATOM 1608 HH TYR 102 21.340 -38.099 31.975 1.00 44.23 ATOM 1609 C TYR 102 19.877 -36.742 25.460 1.00 43.12 ATOM 1610 O TYR 102 20.751 -35.981 25.875 1.00 62.33 ATOM 1611 N GLN 103 20.083 -37.615 24.479 1.00 35.32 ATOM 1612 HN GLN 103 19.338 -38.190 24.180 1.00 37.60 ATOM 1613 CA GLN 103 21.378 -37.732 23.820 1.00 72.32 ATOM 1614 HA GLN 103 22.155 -37.660 24.572 1.00 21.22 ATOM 1615 CB GLN 103 21.499 -39.090 23.125 1.00 2.31 ATOM 1616 HB1 GLN 103 22.467 -39.166 22.644 1.00 37.60 ATOM 1617 HB2 GLN 103 20.727 -39.157 22.375 1.00 33.55 ATOM 1618 CG GLN 103 21.322 -40.272 24.064 1.00 5.13 ATOM 1619 HG1 GLN 103 21.108 -41.147 23.467 1.00 37.60 ATOM 1620 HG2 GLN 103 20.489 -40.090 24.730 1.00 50.12 ATOM 1621 CD GLN 103 22.564 -40.554 24.887 1.00 31.04 ATOM 1622 OE1 GLN 103 23.492 -41.218 24.425 1.00 50.14 ATOM 1623 NE2 GLN 103 22.587 -40.050 26.116 1.00 45.35 ATOM 1624 HE21 GLN 103 21.816 -39.527 26.434 1.00 55.23 ATOM 1625 HE22 GLN 103 23.381 -40.221 26.664 1.00 60.33 ATOM 1626 C GLN 103 21.576 -36.610 22.807 1.00 44.33 ATOM 1627 O GLN 103 22.700 -36.322 22.396 1.00 73.43 ATOM 1628 N GLY 104 20.477 -35.978 22.407 1.00 14.15 ATOM 1629 HN GLY 104 19.597 -36.254 22.729 1.00 37.60 ATOM 1630 CA GLY 104 20.552 -34.894 21.445 1.00 33.22 ATOM 1631 HA1 GLY 104 21.351 -34.216 21.721 1.00 37.60 ATOM 1632 HA2 GLY 104 19.618 -34.352 21.464 1.00 20.11 ATOM 1633 C GLY 104 20.794 -35.389 20.033 1.00 41.41 ATOM 1634 O GLY 104 21.271 -34.640 19.181 1.00 65.24 ATOM 1635 N GLN 105 20.466 -36.653 19.786 1.00 51.44 ATOM 1636 HN GLN 105 20.050 -37.194 20.494 1.00 37.60 ATOM 1637 CA GLN 105 20.653 -37.246 18.467 1.00 44.00 ATOM 1638 HA GLN 105 21.707 -37.220 18.236 1.00 44.43 ATOM 1639 CB GLN 105 20.178 -38.700 18.467 1.00 64.04 ATOM 1640 HB1 GLN 105 20.307 -39.118 17.475 1.00 37.60 ATOM 1641 HB2 GLN 105 19.126 -38.720 18.718 1.00 75.41 ATOM 1642 CG GLN 105 20.912 -39.580 19.465 1.00 24.13 ATOM 1643 HG1 GLN 105 20.303 -40.452 19.660 1.00 37.60 ATOM 1644 HG2 GLN 105 21.060 -39.042 20.383 1.00 11.10 ATOM 1645 CD GLN 105 22.266 -40.035 18.958 1.00 45.04 ATOM 1646 OE1 GLN 105 22.974 -39.285 18.284 1.00 11.14 ATOM 1647 NE2 GLN 105 22.635 -41.270 19.278 1.00 1.34 ATOM 1648 HE21 GLN 105 22.030 -41.827 19.818 1.00 55.13 ATOM 1649 HE22 GLN 105 23.508 -41.582 18.959 1.00 51.22 ATOM 1650 C GLN 105 19.903 -36.453 17.402 1.00 63.34 ATOM 1651 O GLN 105 20.494 -35.995 16.425 1.00 50.31 ATOM 1652 N ASN 106 18.598 -36.297 17.597 1.00 1.42 ATOM 1653 HN ASN 106 18.172 -36.690 18.393 1.00 37.60 ATOM 1654 CA ASN 106 17.767 -35.560 16.652 1.00 13.22 ATOM 1655 HA ASN 106 18.398 -35.112 15.890 1.00 22.40 ATOM 1656 CB ASN 106 16.777 -36.505 15.967 1.00 44.42 ATOM 1657 HB1 ASN 106 16.054 -35.929 15.403 1.00 37.60 ATOM 1658 HB2 ASN 106 16.261 -37.083 16.719 1.00 34.43 ATOM 1659 CG ASN 106 17.461 -37.465 15.013 1.00 43.12 ATOM 1660 OD1 ASN 106 18.686 -37.464 14.885 1.00 32.25 ATOM 1661 ND2 ASN 106 16.671 -38.290 14.337 1.00 73.24 ATOM 1662 HD21 ASN 106 15.698 -38.246 14.479 1.00 70.32 ATOM 1663 HD22 ASN 106 17.094 -38.918 13.715 1.00 4.05 ATOM 1664 C ASN 106 17.011 -34.436 17.354 1.00 13.21 ATOM 1665 O ASN 106 15.908 -34.638 17.863 1.00 21.12 ATOM 1666 N PHE 107 17.611 -33.250 17.377 1.00 70.44 ATOM 1667 HN PHE 107 18.493 -33.147 16.944 1.00 37.60 ATOM 1668 CA PHE 107 16.995 -32.094 18.016 1.00 1.41 ATOM 1669 HA PHE 107 16.688 -32.380 19.014 1.00 14.02 ATOM 1670 CB PHE 107 18.003 -30.947 18.124 1.00 31.45 ATOM 1671 HB1 PHE 107 18.345 -30.683 17.131 1.00 37.60 ATOM 1672 HB2 PHE 107 18.848 -31.282 18.709 1.00 12.12 ATOM 1673 CG PHE 107 17.446 -29.721 18.789 1.00 5.22 ATOM 1674 CD1 PHE 107 16.912 -29.790 20.066 1.00 64.42 ATOM 1675 HD1 PHE 107 16.897 -30.737 20.588 1.00 60.33 ATOM 1676 CD2 PHE 107 17.457 -28.498 18.137 1.00 21.32 ATOM 1677 HD2 PHE 107 17.871 -28.427 17.140 1.00 44.15 ATOM 1678 CE1 PHE 107 16.400 -28.663 20.681 1.00 71.54 ATOM 1679 HE1 PHE 107 15.986 -28.731 21.676 1.00 61.23 ATOM 1680 CE2 PHE 107 16.946 -27.368 18.747 1.00 25.00 ATOM 1681 HE2 PHE 107 16.953 -26.426 18.224 1.00 20.11 ATOM 1682 CZ PHE 107 16.416 -27.451 20.020 1.00 41.13 ATOM 1683 HZ PHE 107 16.011 -26.574 20.487 1.00 31.24 ATOM 1684 C PHE 107 15.765 -31.633 17.239 1.00 45.12 ATOM 1685 O PHE 107 14.817 -31.103 17.815 1.00 75.10 ATOM 1686 N ASN 108 15.791 -31.839 15.926 1.00 43.00 ATOM 1687 HN ASN 108 16.610 -32.170 15.532 1.00 37.60 ATOM 1688 CA ASN 108 14.680 -31.444 15.068 1.00 32.13 ATOM 1689 HA ASN 108 14.624 -30.365 15.071 1.00 10.15 ATOM 1690 CB ASN 108 14.918 -31.925 13.635 1.00 3.35 ATOM 1691 HB1 ASN 108 15.604 -31.244 13.150 1.00 37.60 ATOM 1692 HB2 ASN 108 13.985 -31.930 13.085 1.00 44.33 ATOM 1693 CG ASN 108 15.512 -33.319 13.585 1.00 61.23 ATOM 1694 OD1 ASN 108 14.790 -34.310 13.471 1.00 11.31 ATOM 1695 ND2 ASN 108 16.835 -33.402 13.669 1.00 32.32 ATOM 1696 HD21 ASN 108 17.366 -32.578 13.747 1.00 25.03 ATOM 1697 HD22 ASN 108 17.236 -34.296 13.649 1.00 1.33 ATOM 1698 C ASN 108 13.362 -32.006 15.592 1.00 31.35 ATOM 1699 O ASN 108 12.359 -31.297 15.672 1.00 51.34 ATOM 1700 N LYS 109 13.372 -33.286 15.950 1.00 15.11 ATOM 1701 HN LYS 109 14.212 -33.794 15.891 1.00 37.60 ATOM 1702 CA LYS 109 12.179 -33.945 16.469 1.00 53.21 ATOM 1703 HA LYS 109 11.443 -33.974 15.678 1.00 2.44 ATOM 1704 CB LYS 109 12.507 -35.378 16.893 1.00 34.23 ATOM 1705 HB1 LYS 109 11.608 -35.850 17.257 1.00 37.60 ATOM 1706 HB2 LYS 109 13.231 -35.344 17.697 1.00 5.41 ATOM 1707 CG LYS 109 13.092 -36.225 15.776 1.00 12.51 ATOM 1708 HG1 LYS 109 13.914 -36.803 16.173 1.00 37.60 ATOM 1709 HG2 LYS 109 13.464 -35.591 14.988 1.00 2.54 ATOM 1710 CD LYS 109 12.049 -37.152 15.175 1.00 64.32 ATOM 1711 HD1 LYS 109 12.235 -37.226 14.113 1.00 37.60 ATOM 1712 HD2 LYS 109 11.055 -36.748 15.330 1.00 54.42 ATOM 1713 CE LYS 109 12.131 -38.547 15.776 1.00 3.12 ATOM 1714 HE1 LYS 109 12.869 -38.575 16.562 1.00 37.60 ATOM 1715 HE2 LYS 109 12.418 -39.239 14.999 1.00 31.13 ATOM 1716 NZ LYS 109 10.825 -38.985 16.341 1.00 11.01 ATOM 1717 HZ1 LYS 109 10.126 -39.102 15.579 1.00 13.41 ATOM 1718 HZ2 LYS 109 10.471 -38.282 17.013 1.00 34.33 ATOM 1719 HZ3 LYS 109 10.937 -39.893 16.835 1.00 31.03 ATOM 1720 C LYS 109 11.601 -33.173 17.651 1.00 43.10 ATOM 1721 O LYS 109 10.391 -32.964 17.737 1.00 2.13 ATOM 1722 N VAL 110 12.475 -32.750 18.559 1.00 32.15 ATOM 1723 HN VAL 110 13.434 -32.921 18.417 1.00 37.60 ATOM 1724 CA VAL 110 12.052 -31.999 19.735 1.00 13.22 ATOM 1725 HA VAL 110 11.286 -32.573 20.244 1.00 32.43 ATOM 1726 CB VAL 110 13.222 -31.781 20.713 1.00 34.31 ATOM 1727 HB VAL 110 13.963 -31.155 20.233 1.00 2.00 ATOM 1728 CG1 VAL 110 12.742 -31.071 21.970 1.00 62.11 ATOM 1729 HG11 VAL 110 13.558 -30.993 22.670 1.00 44.33 ATOM 1730 HG12 VAL 110 11.937 -31.632 22.423 1.00 4.25 ATOM 1731 HG13 VAL 110 12.395 -30.079 21.725 1.00 42.05 ATOM 1732 CG2 VAL 110 13.880 -33.108 21.059 1.00 21.30 ATOM 1733 HG21 VAL 110 13.175 -33.744 21.540 1.00 52.22 ATOM 1734 HG22 VAL 110 14.712 -32.935 21.721 1.00 12.12 ATOM 1735 HG23 VAL 110 14.246 -33.588 20.166 1.00 14.14 ATOM 1736 C VAL 110 11.473 -30.644 19.343 1.00 61.13 ATOM 1737 O VAL 110 10.338 -30.317 19.691 1.00 12.11 ATOM 1738 N LEU 111 12.260 -29.859 18.615 1.00 22.23 ATOM 1739 HN LEU 111 13.161 -30.179 18.370 1.00 37.60 ATOM 1740 CA LEU 111 11.826 -28.538 18.174 1.00 63.32 ATOM 1741 HA LEU 111 11.724 -27.916 19.053 1.00 3.34 ATOM 1742 CB LEU 111 12.868 -27.924 17.237 1.00 21.30 ATOM 1743 HB1 LEU 111 12.620 -28.200 16.217 1.00 37.60 ATOM 1744 HB2 LEU 111 13.834 -28.363 17.464 1.00 31.43 ATOM 1745 CG LEU 111 13.015 -26.404 17.301 1.00 3.44 ATOM 1746 HG LEU 111 12.034 -25.951 17.359 1.00 60.41 ATOM 1747 CD1 LEU 111 13.793 -25.995 18.543 1.00 50.33 ATOM 1748 HD11 LEU 111 13.772 -26.786 19.283 1.00 34.02 ATOM 1749 HD12 LEU 111 13.334 -25.118 18.966 1.00 61.21 ATOM 1750 HD13 LEU 111 14.820 -25.769 18.292 1.00 1.11 ATOM 1751 CD2 LEU 111 13.698 -25.880 16.046 1.00 75.21 ATOM 1752 HD21 LEU 111 13.118 -26.155 15.176 1.00 60.25 ATOM 1753 HD22 LEU 111 14.689 -26.305 15.965 1.00 43.23 ATOM 1754 HD23 LEU 111 13.773 -24.802 16.097 1.00 55.14 ATOM 1755 C LEU 111 10.476 -28.616 17.470 1.00 55.05 ATOM 1756 O LEU 111 9.531 -27.919 17.839 1.00 52.54 ATOM 1757 N SER 112 10.391 -29.471 16.455 1.00 42.40 ATOM 1758 HN SER 112 11.184 -30.001 16.206 1.00 37.60 ATOM 1759 CA SER 112 9.156 -29.639 15.698 1.00 44.32 ATOM 1760 HA SER 112 8.961 -28.717 15.170 1.00 21.14 ATOM 1761 CB SER 112 9.308 -30.771 14.680 1.00 54.43 ATOM 1762 HB1 SER 112 10.336 -30.842 14.357 1.00 37.60 ATOM 1763 HB2 SER 112 8.682 -30.562 13.824 1.00 51.24 ATOM 1764 OG SER 112 8.916 -32.013 15.237 1.00 61.32 ATOM 1765 HG SER 112 7.994 -32.188 15.028 1.00 40.42 ATOM 1766 C SER 112 7.984 -29.930 16.629 1.00 75.40 ATOM 1767 O SER 112 6.840 -29.586 16.331 1.00 32.04 ATOM 1768 N SER 113 8.277 -30.568 17.758 1.00 52.30 ATOM 1769 HN SER 113 9.193 -30.871 17.926 1.00 37.60 ATOM 1770 CA SER 113 7.247 -30.910 18.732 1.00 2.12 ATOM 1771 HA SER 113 6.394 -31.316 18.202 1.00 44.34 ATOM 1772 CB SER 113 7.767 -31.971 19.704 1.00 61.12 ATOM 1773 HB1 SER 113 8.414 -31.520 20.443 1.00 37.60 ATOM 1774 HB2 SER 113 8.322 -32.711 19.149 1.00 75.11 ATOM 1775 OG SER 113 6.698 -32.617 20.373 1.00 22.31 ATOM 1776 HG SER 113 7.019 -33.129 21.103 1.00 72.41 ATOM 1777 C SER 113 6.798 -29.673 19.505 1.00 73.44 ATOM 1778 O SER 113 5.601 -29.418 19.650 1.00 63.42 ATOM 1779 N LEU 114 7.765 -28.908 19.999 1.00 71.54 ATOM 1780 HN LEU 114 8.707 -29.163 19.848 1.00 37.60 ATOM 1781 CA LEU 114 7.471 -27.697 20.757 1.00 74.50 ATOM 1782 HA LEU 114 6.801 -27.955 21.565 1.00 15.10 ATOM 1783 CB LEU 114 8.757 -27.113 21.342 1.00 25.33 ATOM 1784 HB1 LEU 114 8.502 -26.236 21.919 1.00 37.60 ATOM 1785 HB2 LEU 114 9.390 -26.804 20.519 1.00 74.41 ATOM 1786 CG LEU 114 9.575 -28.049 22.233 1.00 61.51 ATOM 1787 HG LEU 114 9.962 -28.858 21.635 1.00 70.10 ATOM 1788 CD1 LEU 114 10.758 -27.311 22.840 1.00 51.11 ATOM 1789 HD11 LEU 114 11.432 -27.008 22.056 1.00 70.35 ATOM 1790 HD12 LEU 114 11.271 -27.966 23.510 1.00 35.21 ATOM 1791 HD13 LEU 114 10.413 -26.442 23.381 1.00 10.34 ATOM 1792 CD2 LEU 114 8.699 -28.647 23.325 1.00 45.41 ATOM 1793 HD21 LEU 114 7.940 -29.274 22.882 1.00 64.14 ATOM 1794 HD22 LEU 114 8.227 -27.856 23.891 1.00 43.42 ATOM 1795 HD23 LEU 114 9.306 -29.247 23.990 1.00 54.33 ATOM 1796 C LEU 114 6.781 -26.659 19.878 1.00 11.23 ATOM 1797 O LEU 114 5.971 -25.865 20.357 1.00 52.23 ATOM 1798 N VAL 115 7.106 -26.672 18.589 1.00 0.34 ATOM 1799 HN VAL 115 7.758 -27.331 18.255 1.00 37.60 ATOM 1800 CA VAL 115 6.515 -25.733 17.643 1.00 65.24 ATOM 1801 HA VAL 115 6.526 -24.744 18.091 1.00 71.23 ATOM 1802 CB VAL 115 7.322 -25.676 16.332 1.00 62.23 ATOM 1803 HB VAL 115 7.267 -26.643 15.849 1.00 14.51 ATOM 1804 CG1 VAL 115 6.733 -24.640 15.387 1.00 45.40 ATOM 1805 HG11 VAL 115 7.381 -24.522 14.528 1.00 64.14 ATOM 1806 HG12 VAL 115 6.640 -23.690 15.894 1.00 73.44 ATOM 1807 HG13 VAL 115 5.761 -24.962 15.047 1.00 11.53 ATOM 1808 CG2 VAL 115 8.786 -25.377 16.620 1.00 54.12 ATOM 1809 HG21 VAL 115 9.073 -25.713 17.600 1.00 52.02 ATOM 1810 HG22 VAL 115 8.963 -24.311 16.561 1.00 25.44 ATOM 1811 HG23 VAL 115 9.398 -25.876 15.883 1.00 41.20 ATOM 1812 C VAL 115 5.073 -26.110 17.323 1.00 41.41 ATOM 1813 O VAL 115 4.255 -25.252 16.990 1.00 54.13 ATOM 1814 N THR 116 4.767 -27.399 17.427 1.00 73.11 ATOM 1815 HN THR 116 5.457 -28.049 17.691 1.00 37.60 ATOM 1816 CA THR 116 3.423 -27.890 17.148 1.00 21.35 ATOM 1817 HA THR 116 3.012 -27.322 16.320 1.00 73.54 ATOM 1818 CB THR 116 3.441 -29.376 16.741 1.00 2.32 ATOM 1819 HB THR 116 3.880 -29.951 17.547 1.00 73.31 ATOM 1820 OG1 THR 116 4.228 -29.550 15.558 1.00 43.32 ATOM 1821 HG1 THR 116 5.104 -29.864 15.793 1.00 54.35 ATOM 1822 CG2 THR 116 2.029 -29.887 16.497 1.00 24.00 ATOM 1823 HG21 THR 116 1.520 -30.024 17.439 1.00 0.32 ATOM 1824 HG22 THR 116 2.080 -30.835 15.982 1.00 12.32 ATOM 1825 HG23 THR 116 1.479 -29.182 15.887 1.00 64.13 ATOM 1826 C THR 116 2.513 -27.718 18.359 1.00 31.01 ATOM 1827 O THR 116 1.361 -27.302 18.228 1.00 33.53 ATOM 1828 N LEU 117 3.036 -28.039 19.537 1.00 1.11 ATOM 1829 HN LEU 117 3.961 -28.381 19.580 1.00 37.60 ATOM 1830 CA LEU 117 2.270 -27.919 20.773 1.00 41.32 ATOM 1831 HA LEU 117 1.452 -28.611 20.727 1.00 64.33 ATOM 1832 CB LEU 117 3.145 -28.279 21.975 1.00 35.11 ATOM 1833 HB1 LEU 117 4.094 -27.772 21.858 1.00 37.60 ATOM 1834 HB2 LEU 117 3.325 -29.346 21.947 1.00 34.14 ATOM 1835 CG LEU 117 2.578 -27.919 23.349 1.00 1.10 ATOM 1836 HG LEU 117 2.421 -26.853 23.412 1.00 4.12 ATOM 1837 CD1 LEU 117 1.235 -28.599 23.568 1.00 43.53 ATOM 1838 HD11 LEU 117 1.230 -29.572 23.103 1.00 2.32 ATOM 1839 HD12 LEU 117 0.458 -28.004 23.130 1.00 24.32 ATOM 1840 HD13 LEU 117 1.036 -28.709 24.627 1.00 13.33 ATOM 1841 CD2 LEU 117 3.558 -28.304 24.448 1.00 61.14 ATOM 1842 HD21 LEU 117 4.565 -28.063 24.145 1.00 23.24 ATOM 1843 HD22 LEU 117 3.493 -29.357 24.646 1.00 0.34 ATOM 1844 HD23 LEU 117 3.315 -27.757 25.343 1.00 12.41 ATOM 1845 C LEU 117 1.718 -26.506 20.936 1.00 22.22 ATOM 1846 O LEU 117 0.665 -26.307 21.540 1.00 40.21 ATOM 1847 N ASN 118 2.436 -25.529 20.392 1.00 63.22 ATOM 1848 HN ASN 118 3.291 -25.733 19.949 1.00 37.60 ATOM 1849 CA ASN 118 2.017 -24.135 20.476 1.00 44.22 ATOM 1850 HA ASN 118 1.637 -23.949 21.473 1.00 73.01 ATOM 1851 CB ASN 118 3.209 -23.207 20.228 1.00 14.15 ATOM 1852 HB1 ASN 118 3.671 -23.471 19.288 1.00 37.60 ATOM 1853 HB2 ASN 118 3.929 -23.334 21.024 1.00 32.30 ATOM 1854 CG ASN 118 2.802 -21.747 20.168 1.00 33.32 ATOM 1855 OD1 ASN 118 2.552 -21.205 19.092 1.00 53.03 ATOM 1856 ND2 ASN 118 2.734 -21.104 21.328 1.00 51.21 ATOM 1857 HD21 ASN 118 2.928 -21.586 22.137 1.00 1.31 ATOM 1858 HD22 ASN 118 2.487 -20.156 21.313 1.00 33.41 ATOM 1859 C ASN 118 0.910 -23.838 19.469 1.00 12.04 ATOM 1860 O ASN 118 -0.094 -23.208 19.802 1.00 53.20 ATOM 1861 N LYS 119 1.099 -24.297 18.237 1.00 42.10 ATOM 1862 HN LYS 119 1.927 -24.792 18.026 1.00 37.60 ATOM 1863 CA LYS 119 0.117 -24.083 17.181 1.00 33.40 ATOM 1864 HA LYS 119 -0.090 -23.021 17.120 1.00 34.04 ATOM 1865 CB LYS 119 0.669 -24.564 15.837 1.00 4.42 ATOM 1866 HB1 LYS 119 -0.149 -24.688 15.136 1.00 37.60 ATOM 1867 HB2 LYS 119 1.145 -25.525 15.987 1.00 62.22 ATOM 1868 CG LYS 119 1.669 -23.605 15.213 1.00 23.34 ATOM 1869 HG1 LYS 119 2.222 -23.099 15.995 1.00 37.60 ATOM 1870 HG2 LYS 119 1.134 -22.875 14.623 1.00 23.21 ATOM 1871 CD LYS 119 2.658 -24.335 14.320 1.00 25.12 ATOM 1872 HD1 LYS 119 3.172 -25.087 14.896 1.00 37.60 ATOM 1873 HD2 LYS 119 3.374 -23.622 13.939 1.00 24.22 ATOM 1874 CE LYS 119 1.960 -25.008 13.148 1.00 2.23 ATOM 1875 HE1 LYS 119 1.158 -24.373 12.790 1.00 37.60 ATOM 1876 HE2 LYS 119 1.549 -25.948 13.483 1.00 53.51 ATOM 1877 NZ LYS 119 2.897 -25.268 12.020 1.00 34.41 ATOM 1878 HZ1 LYS 119 3.671 -25.893 12.329 1.00 12.44 ATOM 1879 HZ2 LYS 119 3.304 -24.375 11.674 1.00 12.11 ATOM 1880 HZ3 LYS 119 2.390 -25.727 11.237 1.00 71.24 ATOM 1881 C LYS 119 -1.187 -24.811 17.496 1.00 42.54 ATOM 1882 O LYS 119 -2.260 -24.207 17.502 1.00 21.23 ATOM 1883 N VAL 120 -1.086 -26.110 17.757 1.00 12.13 ATOM 1884 HN VAL 120 -0.199 -26.533 17.726 1.00 37.60 ATOM 1885 CA VAL 120 -2.257 -26.919 18.075 1.00 1.44 ATOM 1886 HA VAL 120 -2.873 -26.981 17.187 1.00 13.01 ATOM 1887 CB VAL 120 -1.856 -28.346 18.494 1.00 13.32 ATOM 1888 HB VAL 120 -2.750 -28.891 18.746 1.00 32.10 ATOM 1889 CG1 VAL 120 -1.183 -29.072 17.340 1.00 71.13 ATOM 1890 HG11 VAL 120 -0.311 -28.530 17.019 1.00 72.44 ATOM 1891 HG12 VAL 120 -1.876 -29.152 16.515 1.00 43.14 ATOM 1892 HG13 VAL 120 -0.892 -30.065 17.655 1.00 34.32 ATOM 1893 CG2 VAL 120 -0.947 -28.307 19.713 1.00 32.23 ATOM 1894 HG21 VAL 120 -1.545 -28.112 20.591 1.00 33.12 ATOM 1895 HG22 VAL 120 -0.223 -27.538 19.613 1.00 65.23 ATOM 1896 HG23 VAL 120 -0.448 -29.259 19.837 1.00 51.44 ATOM 1897 C VAL 120 -3.076 -26.284 19.193 1.00 11.34 ATOM 1898 O VAL 120 -4.300 -26.414 19.233 1.00 31.01 ATOM 1899 N THR 121 -2.393 -25.594 20.102 1.00 30.41 ATOM 1900 HN THR 121 -1.412 -25.542 20.048 1.00 37.60 ATOM 1901 CA THR 121 -3.057 -24.939 21.222 1.00 64.00 ATOM 1902 HA THR 121 -3.922 -25.522 21.502 1.00 53.32 ATOM 1903 CB THR 121 -2.127 -24.840 22.446 1.00 42.30 ATOM 1904 HB THR 121 -2.588 -24.204 23.194 1.00 63.10 ATOM 1905 OG1 THR 121 -0.870 -24.271 22.062 1.00 60.24 ATOM 1906 HG1 THR 121 -0.951 -23.315 22.012 1.00 44.33 ATOM 1907 CG2 THR 121 -1.901 -26.210 23.066 1.00 24.14 ATOM 1908 HG21 THR 121 -0.862 -26.363 23.242 1.00 34.33 ATOM 1909 HG22 THR 121 -2.263 -26.992 22.410 1.00 13.21 ATOM 1910 HG23 THR 121 -2.431 -26.264 24.006 1.00 14.15 ATOM 1911 C THR 121 -3.527 -23.540 20.840 1.00 24.03 ATOM 1912 O THR 121 -4.484 -23.019 21.412 1.00 62.11 ATOM 1913 N ALA 122 -2.847 -22.937 19.870 1.00 15.21 ATOM 1914 HN ALA 122 -2.065 -23.374 19.482 1.00 37.60 ATOM 1915 CA ALA 122 -3.198 -21.599 19.410 1.00 1.23 ATOM 1916 HA ALA 122 -3.219 -20.944 20.267 1.00 4.23 ATOM 1917 CB ALA 122 -2.142 -21.079 18.446 1.00 54.14 ATOM 1918 HB1 ALA 122 -2.381 -20.065 18.156 1.00 25.04 ATOM 1919 HB2 ALA 122 -2.110 -21.707 17.567 1.00 5.44 ATOM 1920 HB3 ALA 122 -1.177 -21.094 18.931 1.00 13.34 ATOM 1921 C ALA 122 -4.572 -21.588 18.750 1.00 53.42 ATOM 1922 O ALA 122 -5.361 -20.664 18.951 1.00 2.21 ATOM 1923 N ASP 123 -4.852 -22.619 17.961 1.00 55.24 ATOM 1924 HN ASP 123 -4.177 -23.326 17.827 1.00 37.60 ATOM 1925 CA ASP 123 -6.132 -22.728 17.270 1.00 15.33 ATOM 1926 HA ASP 123 -6.273 -21.827 16.685 1.00 31.20 ATOM 1927 CB ASP 123 -6.129 -23.935 16.331 1.00 4.03 ATOM 1928 HB1 ASP 123 -6.112 -24.848 16.912 1.00 37.60 ATOM 1929 HB2 ASP 123 -5.244 -23.895 15.713 1.00 10.32 ATOM 1930 CG ASP 123 -7.341 -23.965 15.421 1.00 1.44 ATOM 1931 OD1 ASP 123 -8.383 -24.511 15.839 1.00 23.34 ATOM 1932 OD2 ASP 123 -7.248 -23.442 14.291 1.00 44.31 ATOM 1933 C ASP 123 -7.280 -22.848 18.269 1.00 43.24 ATOM 1934 O ASP 123 -8.409 -22.448 17.983 1.00 44.34 ATOM 1935 N ILE 124 -6.983 -23.402 19.439 1.00 1.33 ATOM 1936 HN ILE 124 -6.065 -23.701 19.615 1.00 37.60 ATOM 1937 CA ILE 124 -7.990 -23.574 20.479 1.00 25.33 ATOM 1938 HA ILE 124 -8.801 -24.164 20.068 1.00 50.24 ATOM 1939 CB ILE 124 -7.417 -24.321 21.699 1.00 41.33 ATOM 1940 HB ILE 124 -6.624 -23.729 22.124 1.00 42.12 ATOM 1941 CG1 ILE 124 -6.855 -25.679 21.275 1.00 45.02 ATOM 1942 HG11 ILE 124 -6.093 -25.537 20.532 1.00 37.60 ATOM 1943 HG12 ILE 124 -7.648 -26.282 20.857 1.00 34.31 ATOM 1944 CG2 ILE 124 -8.489 -24.494 22.765 1.00 65.24 ATOM 1945 HG21 ILE 124 -8.108 -25.080 23.588 1.00 42.45 ATOM 1946 HG22 ILE 124 -9.348 -24.994 22.343 1.00 54.51 ATOM 1947 HG23 ILE 124 -8.789 -23.532 23.147 1.00 23.22 ATOM 1948 CD1 ILE 124 -6.237 -26.459 22.414 1.00 62.41 ATOM 1949 HD11 ILE 124 -7.015 -26.833 23.061 1.00 55.15 ATOM 1950 HD12 ILE 124 -5.572 -25.820 22.980 1.00 53.23 ATOM 1951 HD13 ILE 124 -5.676 -27.290 22.013 1.00 33.13 ATOM 1952 C ILE 124 -8.545 -22.229 20.935 1.00 21.34 ATOM 1953 O ILE 124 -9.671 -22.144 21.423 1.00 53.15 ATOM 1954 N GLY 125 -7.746 -21.179 20.772 1.00 1.00 ATOM 1955 HN GLY 125 -6.852 -21.291 20.381 1.00 37.60 ATOM 1956 CA GLY 125 -8.175 -19.851 21.170 1.00 34.23 ATOM 1957 HA1 GLY 125 -8.906 -19.918 21.968 1.00 37.60 ATOM 1958 HA2 GLY 125 -8.634 -19.367 20.322 1.00 42.11 ATOM 1959 C GLY 125 -7.025 -18.990 21.653 1.00 70.21 ATOM 1960 O GLY 125 -7.086 -17.762 21.581 1.00 71.01 ATOM 1961 N LEU 126 -5.974 -19.634 22.148 1.00 43.21 ATOM 1962 HN LEU 126 -5.969 -20.612 22.151 1.00 37.60 ATOM 1963 HA LEU 126 -5.142 -18.124 23.299 1.00 63.12 ATOM 1964 CB LEU 126 -3.908 -19.863 23.450 1.00 73.42 ATOM 1965 HB1 LEU 126 -3.265 -19.256 24.072 1.00 37.60 ATOM 1966 HB2 LEU 126 -3.287 -20.430 22.765 1.00 64.03 ATOM 1967 CG LEU 126 -4.629 -20.872 24.345 1.00 61.31 ATOM 1968 HG LEU 126 -5.179 -21.568 23.733 1.00 15.24 ATOM 1969 CD1 LEU 126 -3.626 -21.675 25.159 1.00 73.20 ATOM 1970 HD11 LEU 126 -3.059 -21.012 25.798 1.00 74.02 ATOM 1971 HD12 LEU 126 -2.951 -22.194 24.492 1.00 31.22 ATOM 1972 HD13 LEU 126 -4.150 -22.399 25.768 1.00 42.21 ATOM 1973 CD2 LEU 126 -5.616 -20.163 25.260 1.00 32.24 ATOM 1974 HD21 LEU 126 -6.080 -20.883 25.921 1.00 25.31 ATOM 1975 HD22 LEU 126 -6.384 -19.682 24.675 1.00 3.23 ATOM 1976 HD23 LEU 126 -5.097 -19.421 25.852 1.00 11.14 ATOM 1977 CA LEU 126 -4.804 -18.919 22.646 1.00 1.25 ATOM 1978 C LEU 126 -4.012 -18.303 21.498 1.00 43.23 ATOM 1979 OT1 LEU 126 -4.514 -17.316 20.921 1.00 37.60 ATOM 1980 OT2 LEU 126 -2.892 -18.767 21.170 1.00 37.60 ATOM 1981 OH2 TIP3 1 -1.309 -42.820 13.415 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -1.358 -43.775 13.378 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -2.135 -42.552 13.817 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -4.027 -38.952 14.522 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.827 -38.528 13.687 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.371 -38.609 15.129 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.459 -43.824 12.154 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -8.360 -43.641 11.886 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.425 -43.565 13.075 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -1.764 -45.779 13.358 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -2.616 -45.541 12.991 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -1.174 -45.796 12.605 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.584 -41.194 12.202 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.186 -41.749 11.707 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -5.303 -40.527 11.576 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -7.426 -42.970 14.746 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -7.777 -43.826 14.989 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -6.700 -42.827 15.353 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.894 -47.779 15.423 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -7.941 -47.695 15.395 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -9.054 -48.490 16.042 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.598 -40.290 8.398 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -1.620 -40.105 9.337 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -0.908 -39.721 8.057 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -2.035 -40.723 11.320 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -2.522 -41.458 10.949 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -1.486 -41.116 11.998 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -3.584 -44.933 15.958 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -4.450 -45.038 16.352 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -3.208 -44.174 16.405 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -10.210 -40.897 13.731 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.025 -41.231 14.609 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.363 -40.588 13.409 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.865 -39.612 12.975 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.188 -40.244 12.735 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -7.543 -39.210 13.783 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -3.662 -41.669 14.128 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -4.444 -41.855 13.608 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -3.734 -40.740 14.345 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.112 -47.783 23.014 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.023 -46.839 22.882 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.751 -48.058 22.356 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.473 -45.589 24.735 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.914 -46.309 25.185 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -5.486 -44.868 25.365 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -8.362 -40.484 24.947 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -7.742 -41.161 24.674 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -8.570 -40.702 25.855 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.315 -45.182 22.057 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.611 -45.504 21.206 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -8.639 -44.282 22.099 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -4.961 -43.749 27.083 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.903 -43.691 27.244 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.685 -42.843 26.946 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -3.864 -45.501 30.694 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -3.724 -46.092 29.955 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -3.696 -44.628 30.338 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -2.022 -49.161 28.760 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -2.674 -48.466 28.849 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -1.557 -48.951 27.950 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -5.985 -48.329 21.418 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.717 -48.101 21.991 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -5.538 -49.043 21.873 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -7.664 -43.427 27.668 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -7.905 -42.765 28.316 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -7.862 -44.261 28.093 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -7.114 -49.167 19.103 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -6.535 -49.017 19.850 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -6.700 -48.696 18.380 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.388 -42.430 22.538 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -8.914 -42.135 23.316 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.951 -41.692 22.305 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -1.309 -42.820 32.271 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -1.358 -43.775 32.234 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -2.135 -42.552 32.673 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -9.916 -39.474 20.953 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -9.991 -39.595 20.007 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -9.883 -38.524 21.072 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -5.637 -48.134 16.733 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -5.595 -48.357 15.803 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -4.788 -47.736 16.923 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.027 -38.952 33.378 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -3.827 -38.528 32.543 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.371 -38.609 33.985 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -11.229 -46.470 19.823 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -11.973 -46.977 19.500 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -11.363 -46.421 20.769 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.079 -47.337 28.609 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.437 -46.880 28.066 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.909 -47.224 28.147 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -9.103 -45.011 18.848 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -9.398 -44.185 19.230 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -9.806 -45.631 19.044 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -1.764 -45.779 32.214 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -2.616 -45.541 31.847 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -1.174 -45.796 31.461 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.584 -41.194 31.058 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.186 -41.749 30.563 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.303 -40.527 30.432 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -5.174 -46.144 19.889 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -5.451 -46.872 20.445 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -4.247 -46.025 20.095 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -11.949 -43.705 16.110 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -11.710 -44.453 15.562 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -12.218 -44.093 16.942 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -10.274 -42.437 19.315 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -11.091 -41.940 19.368 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -9.745 -41.962 18.675 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -12.936 -41.394 19.297 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -12.775 -40.594 18.796 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -13.133 -41.087 20.182 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.911 -41.842 16.248 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -10.555 -42.473 16.570 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.149 -42.373 16.016 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -7.426 -42.970 33.602 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.777 -43.826 33.845 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.700 -42.827 34.209 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -9.000 -45.068 16.075 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -9.268 -44.888 16.976 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -9.206 -45.994 15.944 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -2.742 -47.545 16.353 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -3.015 -47.970 15.540 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -2.702 -46.614 16.136 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -12.234 -39.209 17.909 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -11.301 -39.051 18.053 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -12.498 -38.534 17.284 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -2.035 -40.723 30.176 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.522 -41.458 29.805 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -1.486 -41.116 30.854 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -3.584 -44.933 34.814 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.450 -45.038 35.208 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -3.208 -44.174 35.261 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -2.283 -46.676 20.328 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -1.433 -46.255 20.456 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -2.278 -47.416 20.936 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -1.889 -48.623 22.152 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -2.615 -49.102 22.550 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -1.308 -48.417 22.884 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -2.130 -45.838 27.100 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -1.296 -46.216 26.819 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -2.018 -44.895 26.981 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -3.643 -42.960 29.407 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -4.291 -42.635 30.032 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -4.161 -43.400 28.732 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -1.621 -48.722 18.543 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -2.142 -48.365 17.824 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -1.654 -48.047 19.221 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -3.246 -48.132 32.354 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.663 -48.866 32.545 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -2.682 -47.360 32.400 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.865 -39.612 31.831 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.188 -40.244 31.591 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -7.543 -39.210 32.639 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -9.941 -39.552 27.881 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -10.398 -39.023 27.227 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -9.778 -38.949 28.606 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -7.614 -40.674 28.826 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -8.518 -40.509 28.560 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -7.185 -39.821 28.760 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -9.589 -39.983 18.154 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -8.723 -39.617 17.976 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -9.836 -40.423 17.341 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.662 -41.669 32.984 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.444 -41.855 32.464 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.734 -40.740 33.201 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.473 -45.589 43.591 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.914 -46.309 44.041 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -5.486 -44.868 44.221 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -8.362 -40.484 43.803 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -7.742 -41.161 43.530 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -8.570 -40.702 44.711 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -8.315 -45.182 40.913 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -8.611 -45.504 40.062 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.639 -44.282 40.955 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.961 -43.749 45.939 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -5.903 -43.691 46.100 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -4.685 -42.843 45.802 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.709 -41.968 42.564 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.284 -42.675 42.079 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -6.392 -41.167 42.147 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -5.550 -44.067 41.073 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -5.807 -44.757 40.461 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -5.479 -44.510 41.918 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -9.388 -42.430 41.394 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -8.914 -42.135 42.172 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -9.951 -41.692 41.161 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -9.916 -39.474 39.809 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -9.991 -39.595 38.863 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -9.883 -38.524 39.928 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -6.814 -40.320 36.812 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -6.439 -41.064 36.341 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -6.810 -40.590 37.730 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -7.145 -40.394 39.561 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.080 -40.294 39.740 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -6.865 -41.103 40.139 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -6.040 -44.817 36.519 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -5.687 -45.197 37.323 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.989 -44.910 36.605 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.174 -46.144 38.745 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.451 -46.872 39.301 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -4.247 -46.025 38.951 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -4.314 -40.940 45.881 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -4.470 -40.262 45.224 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -3.382 -40.868 46.084 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -5.307 -42.025 35.338 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -5.024 -42.819 35.791 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -4.567 -41.792 34.777 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -2.742 -47.545 35.209 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -3.015 -47.970 34.396 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -2.702 -46.614 34.992 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -1.598 -40.290 46.110 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.620 -40.105 47.049 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -0.908 -39.721 45.769 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.283 -46.676 39.184 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -1.433 -46.255 39.312 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.278 -47.416 39.792 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -2.130 -45.838 45.956 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -1.296 -46.216 45.675 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.018 -44.895 45.837 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -9.589 -39.983 37.010 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -8.723 -39.617 36.832 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -9.836 -40.423 36.197 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.127 -35.638 8.844 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.078 -35.028 9.580 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.701 -35.177 8.121 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.735 -34.160 11.080 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.424 -33.502 10.985 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.720 -34.357 12.017 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -4.961 -24.893 8.227 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -5.903 -24.835 8.388 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -4.685 -23.987 8.090 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.661 -36.607 9.644 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.397 -35.996 9.606 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.977 -36.192 9.118 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -3.864 -26.645 11.838 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -3.724 -27.236 11.099 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -3.696 -25.772 11.482 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -2.022 -30.305 9.904 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -2.674 -29.610 9.993 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -1.557 -30.095 9.094 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -6.088 -31.299 11.630 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -6.008 -30.536 12.202 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -6.689 -31.020 10.939 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -7.664 -24.571 8.812 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -7.905 -23.909 9.460 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -7.862 -25.405 9.237 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -13.093 -25.675 12.795 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -13.405 -24.893 13.251 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -13.743 -25.828 12.109 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -14.854 -23.603 13.559 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -14.846 -23.739 12.611 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -15.770 -23.721 13.811 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -4.157 -32.471 13.895 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -4.564 -31.990 13.175 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -4.116 -33.376 13.588 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -6.400 -34.139 12.116 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -6.914 -34.265 12.913 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -6.555 -33.227 11.871 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -9.663 -31.839 14.200 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -10.226 -32.543 14.520 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -8.837 -31.959 14.667 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.027 -20.096 14.522 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.827 -19.672 13.687 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -3.371 -19.753 15.129 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -4.079 -28.481 9.753 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -3.437 -28.024 9.210 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -4.909 -28.368 9.291 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -9.709 -27.430 12.204 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -10.055 -27.811 13.010 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -9.909 -26.496 12.275 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -12.079 -30.341 14.264 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -12.375 -30.507 13.369 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -11.148 -30.561 14.254 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -1.764 -26.923 13.358 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -2.616 -26.685 12.991 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -1.174 -26.940 12.605 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -11.787 -22.989 10.032 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -11.424 -22.134 9.799 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -11.255 -23.281 10.773 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -8.243 -26.890 9.733 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -8.669 -27.117 10.559 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.662 -27.628 9.550 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -4.003 -35.091 12.451 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -4.919 -34.828 12.363 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -3.667 -35.094 11.554 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -4.314 -22.084 8.169 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -4.470 -21.406 7.512 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -3.382 -22.012 8.372 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -14.003 -22.494 16.017 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -13.235 -22.953 16.358 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -14.024 -22.720 15.087 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -12.038 -27.633 14.784 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -12.366 -27.362 13.926 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -11.886 -28.574 14.696 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -6.303 -27.717 12.167 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -5.558 -27.129 12.047 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -7.060 -27.135 12.230 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -8.894 -28.923 15.423 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -7.941 -28.839 15.395 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -9.054 -29.634 16.042 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -7.164 -32.415 15.988 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -6.972 -33.346 15.877 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -6.307 -31.990 15.978 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -5.848 -29.626 14.066 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -6.129 -28.917 13.488 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -4.905 -29.699 13.915 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -8.376 -34.764 13.791 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -9.324 -34.732 13.923 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -8.064 -35.389 14.445 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.742 -36.130 15.796 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.839 -37.082 15.790 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -7.064 -35.861 16.657 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.781 -37.236 15.877 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -11.912 -37.712 15.056 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -12.380 -36.492 15.821 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -1.598 -21.434 8.398 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -1.620 -21.249 9.337 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -0.908 -20.865 8.057 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -2.035 -21.867 11.320 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -2.522 -22.602 10.949 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -1.486 -22.260 11.998 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -2.130 -26.982 8.244 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -1.296 -27.360 7.963 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -2.018 -26.039 8.125 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -3.643 -24.104 10.551 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -4.291 -23.779 11.176 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -4.161 -24.544 9.876 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -3.246 -29.276 13.498 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -2.663 -30.010 13.689 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.682 -28.504 13.544 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -3.751 -32.345 10.533 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -4.594 -32.077 10.899 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -3.308 -31.523 10.322 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -2.947 -38.166 12.055 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -3.760 -37.841 11.667 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -2.714 -38.926 11.522 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -9.941 -20.696 9.025 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -10.398 -20.167 8.371 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.778 -20.093 9.750 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.614 -21.818 9.970 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -8.518 -21.653 9.704 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -7.185 -20.965 9.904 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -5.009 -20.248 10.265 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -5.191 -19.332 10.054 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -4.833 -20.658 9.418 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -6.838 -38.886 15.435 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -6.762 -39.312 16.289 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -5.945 -38.872 15.093 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.179 -29.672 26.433 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.217 -30.318 27.138 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.502 -30.138 25.662 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.790 -27.239 26.839 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -10.486 -27.925 26.245 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -10.068 -27.121 27.457 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -12.718 -30.797 24.417 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -12.102 -31.323 24.926 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -13.304 -31.437 24.013 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -11.658 -38.520 25.966 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -11.775 -39.469 25.912 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -12.513 -38.188 26.239 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.391 -29.683 20.466 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.103 -29.148 20.115 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -8.700 -29.627 19.806 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -9.337 -31.225 17.505 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -8.636 -31.203 18.156 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -9.035 -31.853 16.849 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -14.340 -28.843 23.301 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -14.670 -29.213 22.482 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -13.752 -29.513 23.647 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -12.973 -25.415 25.982 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -13.068 -25.993 25.225 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -12.244 -25.786 26.478 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -7.664 -24.571 27.668 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -7.905 -23.909 28.316 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -7.862 -25.405 28.093 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -7.114 -30.311 19.103 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -6.535 -30.161 19.850 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -6.700 -29.840 18.380 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -10.330 -24.390 31.147 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -10.243 -23.564 31.622 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -11.194 -24.720 31.396 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -16.262 -21.829 22.734 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -16.110 -22.177 23.613 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -17.113 -22.185 22.479 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -9.726 -37.895 30.118 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -9.306 -38.310 30.871 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -10.659 -38.073 30.235 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -5.637 -29.278 16.733 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -5.595 -29.501 15.803 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -4.788 -28.880 16.923 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -10.064 -35.402 17.403 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -10.318 -35.383 18.326 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -10.321 -36.274 17.102 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -8.765 -32.014 21.568 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -9.174 -31.199 21.276 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -8.045 -32.154 20.953 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.663 -31.839 33.056 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.226 -32.543 33.376 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -8.837 -31.959 33.523 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -8.497 -30.930 29.053 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -8.173 -31.561 28.410 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -8.937 -31.465 29.714 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -11.719 -35.003 23.837 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -12.630 -34.946 24.126 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -11.214 -35.063 24.648 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -13.238 -33.374 20.320 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -12.306 -33.245 20.498 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -13.453 -32.704 19.671 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.027 -20.096 33.378 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -3.827 -19.672 32.543 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -3.371 -19.753 33.985 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -10.399 -32.215 25.724 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -9.835 -32.762 25.177 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.547 -32.737 26.513 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -11.773 -33.827 28.138 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.608 -33.373 28.248 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -11.249 -33.551 28.890 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -11.229 -27.614 19.823 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -11.973 -28.121 19.500 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.363 -27.565 20.769 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.709 -27.430 31.060 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -10.055 -27.811 31.866 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -9.909 -26.496 31.131 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.079 -30.341 33.120 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.375 -30.507 32.225 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.148 -30.561 33.110 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -13.729 -24.801 22.997 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -13.202 -24.028 22.796 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -14.609 -24.576 22.695 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -12.302 -27.138 22.573 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -12.543 -26.213 22.615 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -13.042 -27.597 22.969 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -11.787 -22.989 28.888 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -11.424 -22.134 28.655 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -11.255 -23.281 29.629 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -13.618 -22.116 22.118 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -14.568 -22.011 22.170 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -13.267 -21.296 22.463 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -8.243 -26.890 28.589 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -8.669 -27.117 29.415 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -7.662 -27.628 28.406 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -5.584 -22.338 31.058 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -6.186 -22.893 30.563 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -5.303 -21.671 30.432 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -13.012 -25.279 18.566 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.865 -25.799 19.356 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -13.015 -24.372 18.872 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -8.727 -35.364 29.355 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -8.029 -35.290 30.005 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.108 -36.228 29.510 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.743 -33.984 21.287 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.931 -33.480 21.333 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.988 -34.129 22.201 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -10.207 -32.998 30.472 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -10.088 -32.424 31.229 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -9.552 -33.686 30.587 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -9.859 -36.903 22.225 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -10.206 -36.285 22.870 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -9.201 -36.402 21.744 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -15.943 -25.412 17.973 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -15.351 -24.713 18.249 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -15.484 -25.845 17.254 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -14.352 -27.259 16.339 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -14.288 -28.053 16.870 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -13.699 -27.378 15.650 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -12.038 -27.633 33.640 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -12.366 -27.362 32.782 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -11.886 -28.574 33.552 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -13.203 -29.287 18.645 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -13.662 -29.771 19.331 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -12.948 -29.955 18.009 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.132 -31.044 16.908 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -12.312 -31.198 15.980 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -11.181 -30.936 16.952 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -11.580 -30.230 29.816 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -10.829 -30.386 29.243 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.919 -29.378 29.540 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.092 -33.891 33.571 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.328 -34.111 34.473 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -11.875 -34.098 33.062 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -8.376 -34.764 32.647 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.324 -34.732 32.779 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.064 -35.389 33.301 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -11.781 -37.236 34.733 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -11.912 -37.712 33.912 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -12.380 -36.492 34.677 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.234 -20.353 17.909 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -11.301 -20.195 18.053 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -12.498 -19.678 17.284 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.210 -22.041 32.587 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.025 -22.375 33.465 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -9.363 -21.732 32.265 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -7.865 -20.756 31.831 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -7.188 -21.388 31.591 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -7.543 -20.354 32.639 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.941 -20.696 27.881 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -10.398 -20.167 27.227 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.778 -20.093 28.606 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -7.614 -21.818 28.826 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -8.518 -21.653 28.560 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -7.185 -20.965 28.760 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -15.563 -22.851 25.241 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -15.782 -23.767 25.410 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -14.739 -22.711 25.707 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -13.026 -22.381 26.089 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -12.813 -23.269 25.802 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -12.961 -22.415 27.044 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.517 -36.717 25.234 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.192 -37.346 25.489 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.953 -37.201 24.631 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -12.611 -38.156 22.869 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -11.737 -37.768 22.839 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.747 -38.371 23.792 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -11.467 -36.076 19.759 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -11.289 -36.722 20.442 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -11.521 -35.242 20.226 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -6.838 -38.886 34.291 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.762 -39.312 35.145 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -5.945 -38.872 33.949 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -2.127 -35.638 46.556 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -2.078 -35.028 47.292 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -1.701 -35.177 45.833 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -6.772 -34.613 41.696 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -6.126 -34.942 42.321 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -6.262 -34.095 41.073 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -5.008 -35.322 43.677 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -5.223 -36.088 44.209 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -4.352 -34.850 44.190 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -5.550 -25.211 41.073 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -5.807 -25.901 40.461 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -5.479 -25.654 41.918 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -9.391 -29.683 39.322 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -10.103 -29.148 38.971 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -8.700 -29.627 38.662 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.337 -31.225 36.361 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -8.636 -31.203 37.012 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.035 -31.853 35.705 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.985 -29.473 40.274 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -6.717 -29.245 40.847 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.538 -30.187 40.729 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -7.114 -30.311 37.959 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -6.535 -30.161 38.706 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -6.700 -29.840 37.236 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -6.814 -21.464 36.812 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -6.439 -22.208 36.341 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -6.810 -21.734 37.730 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -10.064 -35.402 36.259 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -10.318 -35.383 37.182 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -10.321 -36.274 35.958 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -8.765 -32.014 40.424 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -9.174 -31.199 40.132 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.045 -32.154 39.809 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -11.229 -27.614 38.679 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -11.973 -28.121 38.356 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -11.363 -27.565 39.625 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.613 -32.933 38.539 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.721 -33.070 38.858 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -6.556 -32.142 38.002 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -9.103 -26.155 37.704 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -9.398 -25.329 38.086 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -9.806 -26.775 37.900 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -3.432 -23.937 38.698 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -3.805 -24.763 39.008 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -3.155 -24.120 37.801 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.174 -27.288 38.745 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -5.451 -28.016 39.301 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -4.247 -27.169 38.951 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -11.949 -24.849 34.966 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -11.710 -25.597 34.418 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -12.218 -25.237 35.798 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -7.943 -35.712 39.308 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -7.723 -35.240 38.505 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -7.385 -35.317 39.979 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -10.274 -23.581 38.171 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -11.091 -23.084 38.224 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -9.745 -23.106 37.531 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -9.911 -22.986 35.104 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -10.555 -23.617 35.426 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.149 -23.517 34.872 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.307 -23.169 35.338 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.024 -23.963 35.791 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -4.567 -22.936 34.777 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.000 -26.212 34.931 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.268 -26.032 35.832 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -9.206 -27.138 34.800 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -12.132 -31.044 35.764 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -12.312 -31.198 34.836 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -11.181 -30.936 35.808 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -1.889 -29.767 41.008 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -2.615 -30.246 41.406 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -1.308 -29.561 41.740 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -4.102 -31.246 41.571 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -4.252 -32.191 41.551 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.456 -30.965 42.415 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -4.392 -33.663 40.033 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -4.112 -34.570 40.158 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -3.633 -33.229 39.644 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -3.778 -36.400 40.082 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -3.596 -36.849 40.907 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -4.378 -36.985 39.618 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -4.375 -38.610 44.202 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.771 -38.062 43.701 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -5.244 -38.290 43.962 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -2.648 -37.471 42.536 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -2.036 -37.985 42.009 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -2.265 -36.593 42.559 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -7.054 -38.126 43.374 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.978 -38.031 42.425 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.330 -39.034 43.503 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -5.701 -38.100 39.067 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -6.404 -37.486 38.857 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -6.146 -38.938 39.198 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -2.880 -21.564 39.690 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -3.074 -22.312 39.125 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -2.919 -20.806 39.106 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -1.735 -15.304 -7.776 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -2.424 -14.646 -7.871 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.720 -15.501 -6.839 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -2.022 -11.449 -8.952 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -2.674 -10.754 -8.863 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.557 -11.239 -9.762 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -4.157 -13.615 -4.961 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.564 -13.134 -5.681 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -4.116 -14.520 -5.268 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.246 -10.420 -5.358 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -2.663 -11.154 -5.167 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -2.682 -9.648 -5.312 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -1.749 -12.517 -4.674 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -2.612 -12.896 -4.839 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -1.145 -13.256 -4.748 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -1.468 -19.509 -2.969 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -1.118 -20.163 -3.575 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -1.321 -18.672 -3.409 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -1.948 -17.400 -4.620 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -2.865 -17.129 -4.656 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -1.825 -17.935 -5.404 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -4.661 -17.751 9.644 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -5.397 -17.140 9.606 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -3.977 -17.336 9.118 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -4.157 -13.615 13.895 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -4.564 -13.134 13.175 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -4.116 -14.520 13.588 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -9.726 -19.039 11.262 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -9.306 -19.454 12.015 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -10.659 -19.217 11.379 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.728 -13.867 0.521 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.282 -14.263 -0.151 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -1.627 -12.957 0.244 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -4.003 -16.235 12.451 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.919 -15.972 12.363 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.667 -16.238 11.554 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -2.742 -9.833 -2.503 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -3.015 -10.258 -3.316 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -2.702 -8.902 -2.720 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -7.164 -13.559 15.988 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.972 -14.490 15.877 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.307 -13.134 15.978 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -12.356 -19.357 11.152 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -12.454 -18.410 11.046 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -13.099 -19.729 10.676 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -8.376 -15.908 13.791 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -9.324 -15.876 13.923 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -8.064 -16.533 14.445 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -6.742 -17.274 15.796 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -6.839 -18.226 15.790 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -7.064 -17.005 16.657 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.134 -20.063 13.823 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -11.422 -20.703 13.809 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -12.235 -19.796 12.909 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.781 -18.380 15.877 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.912 -18.856 15.056 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -12.380 -17.636 15.821 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.621 -11.010 -0.313 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -2.142 -10.653 -1.032 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.654 -10.335 0.365 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.272 -13.770 -1.762 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.175 -13.103 -2.442 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -3.412 -14.586 -2.244 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -4.024 -16.362 -2.645 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -3.414 -16.734 -2.008 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -4.861 -16.784 -2.449 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -1.948 -17.400 14.236 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.865 -17.129 14.200 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -1.825 -17.935 13.452 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -1.912 -17.477 -1.102 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -1.499 -18.198 -1.578 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -1.230 -16.807 -1.044 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -2.947 -19.310 12.055 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.760 -18.985 11.667 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -2.714 -20.070 11.522 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -15.260 -19.362 15.253 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -14.361 -19.636 15.068 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -15.646 -20.105 15.717 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -8.112 -10.071 23.014 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -8.023 -9.127 22.882 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -8.751 -10.346 22.356 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -2.127 -16.782 27.700 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -2.078 -16.172 28.436 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -1.701 -16.321 26.977 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -7.649 -13.989 27.167 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -7.506 -14.936 27.187 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -7.755 -13.782 26.238 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -1.735 -15.304 29.936 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -2.424 -14.646 29.841 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -1.720 -15.501 30.873 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -4.661 -17.751 28.500 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -5.397 -17.140 28.462 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -3.977 -17.336 27.974 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -11.658 -19.664 25.966 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -11.775 -20.613 25.912 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -12.513 -19.332 26.239 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -9.391 -10.827 20.466 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -10.103 -10.292 20.115 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -8.700 -10.771 19.806 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -9.337 -12.369 17.505 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -8.636 -12.347 18.156 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -9.035 -12.997 16.849 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -2.022 -11.449 28.760 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -2.674 -10.754 28.849 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -1.557 -11.239 27.950 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -5.985 -10.617 21.418 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -6.717 -10.389 21.991 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -5.538 -11.331 21.873 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -7.114 -11.455 19.103 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -6.535 -11.305 19.850 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -6.700 -10.984 18.380 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.157 -13.615 32.751 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.564 -13.134 32.031 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -4.116 -14.520 32.444 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -14.389 -18.761 26.744 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -15.250 -18.848 26.336 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -14.411 -17.905 27.171 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.726 -19.039 30.118 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -9.306 -19.454 30.871 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.659 -19.217 30.235 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -6.400 -15.283 30.972 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -6.914 -15.409 31.769 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.555 -14.371 30.727 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -10.064 -16.546 17.403 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -10.318 -16.527 18.326 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -10.321 -17.418 17.102 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.765 -13.158 21.568 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.174 -12.343 21.276 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -8.045 -13.298 20.953 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -7.761 -13.712 24.382 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -7.956 -13.107 23.667 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -7.579 -14.546 23.947 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -13.182 -16.101 16.504 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -13.613 -16.546 17.234 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -13.900 -15.729 15.992 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -11.719 -16.147 23.837 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -12.630 -16.090 24.126 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -11.214 -16.207 24.648 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -13.238 -14.518 20.320 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -12.306 -14.389 20.498 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -13.453 -13.848 19.671 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -7.314 -16.912 27.101 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -7.991 -16.781 27.765 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -7.800 -17.067 26.291 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -10.399 -13.359 25.724 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -9.835 -13.906 25.177 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -10.547 -13.881 26.513 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -15.397 -17.223 22.142 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -15.714 -18.125 22.107 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -14.616 -17.221 21.590 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -7.331 -15.944 18.022 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -8.269 -15.832 17.871 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -7.034 -15.087 18.328 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -6.613 -14.077 19.683 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -5.721 -14.214 20.002 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -6.556 -13.286 19.146 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.728 -13.867 19.377 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -2.282 -14.263 18.705 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -1.627 -12.957 19.100 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -8.727 -16.508 29.355 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -8.029 -16.434 30.005 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -9.108 -17.372 29.510 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -10.743 -15.128 21.287 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -9.931 -14.624 21.333 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -10.988 -15.273 22.201 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -14.202 -16.984 18.913 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -14.285 -16.095 19.259 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -13.312 -17.249 19.144 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -4.003 -16.235 31.307 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -4.919 -15.972 31.219 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -3.667 -16.238 30.410 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -5.401 -12.484 25.403 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -6.198 -12.899 25.074 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -4.956 -13.175 25.894 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -6.742 -17.274 34.652 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -6.839 -18.226 34.646 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -7.064 -17.005 35.513 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -1.889 -10.911 22.152 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -2.615 -11.390 22.550 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -1.308 -10.705 22.884 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -1.621 -11.010 18.543 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -2.142 -10.653 17.824 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -1.654 -10.335 19.221 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -3.272 -13.770 17.094 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -3.175 -13.103 16.414 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -3.412 -14.586 16.612 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -4.102 -12.390 22.715 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -4.252 -13.335 22.695 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -4.456 -12.109 23.559 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -1.749 -12.517 33.038 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -2.612 -12.896 32.873 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -1.145 -13.256 32.964 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -4.024 -16.362 16.211 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -3.414 -16.734 16.848 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -4.861 -16.784 16.407 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -3.780 -14.226 26.613 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -2.847 -14.014 26.579 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -4.015 -14.124 27.536 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -3.751 -13.489 29.389 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -4.594 -13.221 29.755 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -3.308 -12.667 29.178 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -9.517 -17.861 25.234 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -10.192 -18.490 25.489 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -8.953 -18.345 24.631 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -12.611 -19.300 22.869 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -11.737 -18.912 22.839 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -12.747 -19.515 23.792 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -11.467 -17.220 19.759 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -11.289 -17.866 20.442 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -11.521 -16.386 20.226 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -6.838 -20.030 34.291 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -6.762 -20.456 35.145 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -5.945 -20.016 33.949 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -3.416 -19.705 37.772 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -4.315 -19.566 38.067 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -3.164 -18.874 37.370 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -3.272 -13.770 35.950 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -3.175 -13.103 35.270 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -3.412 -14.586 35.468 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -4.024 -16.362 35.067 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -3.414 -16.734 35.704 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -4.861 -16.784 35.263 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -3.778 -17.544 40.082 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.596 -17.993 40.907 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -4.378 -18.129 39.618 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -1.912 -17.477 36.610 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -1.499 -18.198 36.134 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -1.230 -16.807 36.668 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -5.701 -19.244 39.067 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -6.404 -18.630 38.857 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -6.146 -20.082 39.198 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 14.992 -45.501 11.838 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 15.132 -46.092 11.099 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 15.160 -44.628 11.482 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 4.002 -42.459 13.559 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 4.010 -42.595 12.611 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 3.086 -42.577 13.811 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 17.547 -42.820 13.415 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 17.498 -43.775 13.378 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 16.721 -42.552 13.817 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 8.526 -43.246 12.291 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 8.613 -42.420 12.766 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 7.662 -43.576 12.540 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 11.397 -43.824 12.154 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 10.496 -43.641 11.886 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 11.431 -43.565 13.075 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 17.092 -45.779 13.358 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 16.240 -45.541 12.991 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 17.682 -45.796 12.605 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 7.069 -41.845 10.032 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 7.432 -40.990 9.799 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 7.601 -42.137 10.773 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 13.272 -41.194 12.202 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 12.670 -41.749 11.707 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 13.553 -40.527 11.576 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 1.045 -42.156 10.044 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 1.262 -43.088 10.013 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 1.292 -41.882 10.928 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 14.542 -40.940 8.169 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 14.386 -40.262 7.512 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 15.474 -40.868 8.372 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.256 -40.269 14.397 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 0.796 -40.486 15.156 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.225 -41.075 14.207 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 4.853 -41.350 16.017 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 5.621 -41.809 16.358 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 4.832 -41.576 15.087 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 11.430 -42.970 14.746 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 11.079 -43.826 14.989 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 12.156 -42.827 15.353 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 0.163 -46.459 15.351 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 0.307 -47.361 15.065 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -0.610 -46.173 14.863 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 6.818 -46.489 14.784 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 6.490 -46.218 13.926 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 6.970 -47.430 14.696 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 9.962 -47.779 15.423 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 10.915 -47.695 15.395 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 9.802 -48.490 16.042 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 13.008 -48.482 14.066 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 12.727 -47.773 13.488 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 13.951 -48.555 13.915 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 17.258 -40.290 8.398 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 17.236 -40.105 9.337 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 17.948 -39.721 8.057 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 15.272 -44.933 15.958 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 14.406 -45.038 16.352 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 15.648 -44.174 16.405 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 15.213 -42.960 10.551 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 14.565 -42.635 11.176 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 14.695 -43.400 9.876 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 1.381 -43.271 14.513 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 0.560 -43.096 14.053 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 1.129 -43.344 15.434 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 4.335 -42.296 10.772 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 3.910 -41.487 10.489 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 5.240 -42.211 10.470 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 1.737 -39.040 10.819 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 1.017 -38.600 10.368 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 1.371 -39.291 11.668 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 4.204 -39.440 9.849 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 3.339 -39.368 10.253 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 4.149 -38.893 9.065 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 8.915 -39.552 9.025 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 8.458 -39.023 8.371 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 9.078 -38.949 9.750 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 11.242 -40.674 9.970 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 10.338 -40.509 9.704 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 11.671 -39.821 9.904 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 13.847 -39.104 10.265 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 13.665 -38.188 10.054 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 14.023 -39.514 9.418 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 1.152 -40.417 7.730 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 1.133 -40.842 8.587 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.957 -40.735 7.321 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 10.744 -47.783 23.014 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 10.833 -46.839 22.882 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 10.105 -48.058 22.356 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 2.045 -48.913 28.026 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 2.087 -49.539 28.750 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 2.748 -48.290 28.208 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 0.289 -48.641 24.080 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 0.503 -49.411 24.607 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 1.027 -48.552 23.477 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 11.207 -51.701 27.167 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 11.350 -52.648 27.187 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 11.101 -51.494 26.238 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 6.138 -49.653 24.417 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 6.754 -50.179 24.926 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 5.552 -50.293 24.013 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 0.270 -45.371 20.370 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -0.002 -45.142 19.481 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 0.315 -44.533 20.830 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 9.465 -48.539 20.466 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 8.753 -48.004 20.115 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 10.156 -48.483 19.806 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 9.519 -50.081 17.505 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 10.220 -50.059 18.156 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 9.821 -50.709 16.849 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 16.834 -49.161 28.760 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 16.182 -48.466 28.849 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 17.299 -48.951 27.950 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 12.871 -48.329 21.418 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 12.139 -48.101 21.991 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 13.318 -49.043 21.873 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 12.768 -50.155 30.486 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 12.848 -49.392 31.058 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 12.167 -49.876 29.795 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.516 -47.699 23.301 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 4.186 -48.069 22.482 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 5.104 -48.369 23.647 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 4.883 -48.930 26.934 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 5.448 -48.809 26.171 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 5.202 -48.293 27.573 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 11.742 -49.167 19.103 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 12.321 -49.017 19.850 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 12.156 -48.696 18.380 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 2.683 -48.333 30.880 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 2.753 -47.682 31.578 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 1.792 -48.230 30.545 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 14.699 -51.327 32.751 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 14.292 -50.846 32.031 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 14.740 -52.232 32.444 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 12.456 -52.995 30.972 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 11.942 -53.121 31.769 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 12.301 -52.083 30.727 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 13.219 -48.134 16.733 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 13.261 -48.357 15.803 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 14.068 -47.736 16.923 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 4.558 -51.507 27.839 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 3.916 -51.548 28.548 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 4.595 -50.581 27.601 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 10.091 -50.870 21.568 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 9.682 -50.055 21.276 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 10.811 -51.010 20.953 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 9.193 -50.695 33.056 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 8.630 -51.399 33.376 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 10.019 -50.815 33.523 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 11.095 -51.424 24.382 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 10.900 -50.819 23.667 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 11.277 -52.258 23.947 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.308 -51.187 29.706 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.270 -50.787 30.574 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 1.817 -52.004 29.796 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 2.427 -46.478 32.986 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 3.160 -46.224 33.547 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 1.647 -46.274 33.501 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 8.457 -51.071 25.724 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 9.021 -51.618 25.177 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 8.309 -51.593 26.513 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 7.083 -52.683 28.138 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 6.248 -52.229 28.248 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 7.607 -52.407 28.890 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 7.627 -46.470 19.823 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 6.883 -46.977 19.500 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 7.493 -46.421 20.769 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 14.777 -47.337 28.609 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 15.419 -46.880 28.066 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 13.947 -47.224 28.147 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 2.752 -47.175 25.592 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 3.497 -47.177 24.991 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 2.830 -47.999 26.074 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -0.240 -48.714 30.907 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -0.017 -49.132 31.739 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -0.842 -49.327 30.485 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 6.777 -49.197 33.120 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.481 -49.363 32.225 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 7.708 -49.417 33.110 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 5.127 -43.657 22.997 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 5.654 -42.884 22.796 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 4.247 -43.432 22.695 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 6.554 -45.994 22.573 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 6.313 -45.069 22.615 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 5.814 -46.453 22.969 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.907 -43.705 16.110 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 7.146 -44.453 15.562 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.638 -44.093 16.942 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 5.844 -44.135 18.566 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.991 -44.655 19.356 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.841 -43.228 18.872 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 8.649 -51.854 30.472 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 8.768 -51.280 31.229 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.304 -52.542 30.587 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 13.455 -50.196 25.403 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 12.658 -50.611 25.074 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 13.900 -50.887 25.894 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 2.913 -44.268 17.973 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 3.505 -43.569 18.249 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 3.372 -44.701 17.254 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 0.967 -42.882 21.923 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 0.135 -42.409 21.950 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 1.513 -42.372 21.324 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 0.256 -40.269 33.253 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 0.796 -40.486 34.012 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -0.225 -41.075 33.063 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 0.163 -46.459 34.207 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 0.307 -47.361 33.921 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -0.610 -46.173 33.719 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 6.818 -46.489 33.640 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 6.490 -46.218 32.782 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 6.970 -47.430 33.552 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 9.856 -45.068 16.075 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 9.588 -44.888 16.976 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 9.650 -45.994 15.944 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 0.995 -49.259 33.627 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 1.403 -50.116 33.506 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 0.735 -49.244 34.548 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 4.942 -50.250 31.001 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 4.324 -49.575 31.282 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 5.286 -49.929 30.168 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 9.962 -47.779 34.279 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 10.915 -47.695 34.251 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 9.802 -48.490 34.898 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 16.114 -47.545 16.353 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 15.841 -47.970 15.540 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 16.154 -46.614 16.136 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.692 -51.271 34.844 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 11.884 -52.202 34.733 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 12.549 -50.846 34.834 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 13.008 -48.482 32.922 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 12.727 -47.773 32.344 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 13.951 -48.555 32.771 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 0.190 -44.573 17.392 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 1.104 -44.494 17.665 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 0.197 -45.260 16.725 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 16.573 -46.676 20.328 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 17.423 -46.255 20.456 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 16.578 -47.416 20.936 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 16.967 -48.623 22.152 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 16.241 -49.102 22.550 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 17.548 -48.417 22.884 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 17.235 -48.722 18.543 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 16.714 -48.365 17.824 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 17.202 -48.047 19.221 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 14.754 -50.102 22.715 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 14.604 -51.047 22.695 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 14.400 -49.821 23.559 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -0.211 -48.024 26.725 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -0.027 -48.106 25.790 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 0.638 -48.148 27.149 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 17.107 -50.229 33.038 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 16.244 -50.608 32.873 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 17.711 -50.968 32.964 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 15.076 -51.938 26.613 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 16.009 -51.726 26.579 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 14.841 -51.836 27.536 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 15.105 -51.201 29.389 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 14.262 -50.933 29.755 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 15.548 -50.379 29.178 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 1.381 -43.271 33.369 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 0.560 -43.096 32.909 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 1.129 -43.344 34.290 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 2.221 -40.273 16.782 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 1.953 -39.986 17.655 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 2.992 -40.819 16.934 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 10.744 -47.783 41.870 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 10.833 -46.839 41.738 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.105 -48.058 41.212 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.383 -45.589 43.591 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.942 -46.309 44.041 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 13.370 -44.868 44.221 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 2.969 -44.463 45.417 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 2.599 -45.265 45.048 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 3.910 -44.632 45.464 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 8.066 -46.095 45.695 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 8.370 -46.781 45.101 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 8.788 -45.977 46.313 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 6.138 -49.653 43.273 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 6.754 -50.179 43.782 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 5.552 -50.293 42.869 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 10.541 -45.182 40.913 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 10.245 -45.504 40.062 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 10.217 -44.282 40.955 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 4.149 -45.042 48.444 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 4.143 -44.163 48.066 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 3.295 -45.125 48.869 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 0.270 -45.371 39.226 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 -0.002 -45.142 38.337 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 0.315 -44.533 39.686 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 13.895 -43.749 45.939 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 12.953 -43.691 46.100 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 14.171 -42.843 45.802 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 9.465 -48.539 39.322 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 8.753 -48.004 38.971 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 10.156 -48.483 38.662 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 12.871 -48.329 40.274 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 12.139 -48.101 40.847 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 13.318 -49.043 40.729 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.516 -47.699 42.157 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.186 -48.069 41.338 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.104 -48.369 42.503 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 5.883 -44.271 44.838 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 5.788 -44.849 44.081 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 6.612 -44.642 45.334 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 11.192 -43.427 46.524 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 10.951 -42.765 47.172 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 10.994 -44.261 46.949 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.742 -49.167 37.959 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 12.321 -49.017 38.706 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 12.156 -48.696 37.236 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 3.506 -48.629 39.746 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 3.214 -47.861 39.255 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 2.832 -49.289 39.583 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 -0.650 -43.486 45.445 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 0.296 -43.630 45.426 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 -0.763 -42.702 45.982 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 7.627 -46.470 38.679 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 6.883 -46.977 38.356 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 7.493 -46.421 39.625 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 2.752 -47.175 44.448 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 3.497 -47.177 43.847 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 2.830 -47.999 44.930 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 17.128 -51.579 38.233 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 16.574 -51.975 37.561 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 17.229 -50.669 37.956 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 7.069 -41.845 47.744 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 7.432 -40.990 47.511 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 7.601 -42.137 48.485 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 13.682 -46.144 38.745 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 13.405 -46.872 39.301 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 14.609 -46.025 38.951 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 1.045 -42.156 47.756 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 1.262 -43.088 47.725 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 1.292 -41.882 48.640 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 5.844 -44.135 37.422 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 5.991 -44.655 38.212 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 5.841 -43.228 37.728 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 2.297 -46.882 37.932 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 1.611 -46.530 38.499 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 2.820 -46.119 37.686 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 2.913 -44.268 36.829 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 3.505 -43.569 37.105 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.372 -44.701 36.110 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 14.542 -40.940 45.881 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 14.386 -40.262 45.224 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 15.474 -40.868 46.084 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 0.967 -42.882 40.779 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 0.135 -42.409 40.806 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 1.513 -42.372 40.180 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 4.504 -46.115 35.195 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 4.568 -46.909 35.726 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 5.157 -46.234 34.506 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 5.653 -48.143 37.501 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 5.194 -48.627 38.187 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 5.908 -48.811 36.865 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 0.190 -44.573 36.248 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 1.104 -44.494 36.521 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 0.197 -45.260 35.581 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 16.821 -40.723 49.032 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 16.334 -41.458 48.661 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 17.370 -41.116 49.710 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 16.573 -46.676 39.184 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 17.423 -46.255 39.312 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 16.578 -47.416 39.792 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 16.967 -48.623 41.008 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 16.241 -49.102 41.406 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 17.548 -48.417 41.740 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.726 -45.838 45.956 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.560 -46.216 45.675 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.838 -44.895 45.837 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 15.213 -42.960 48.263 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 14.565 -42.635 48.888 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 14.695 -43.400 47.588 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 17.235 -48.722 37.399 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 16.714 -48.365 36.680 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 17.202 -48.047 38.077 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 15.584 -51.482 35.950 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 15.681 -50.815 35.270 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 15.444 -52.298 35.468 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 4.335 -42.296 48.484 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 3.910 -41.487 48.201 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 5.240 -42.211 48.182 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 10.991 -39.612 50.687 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 11.668 -40.244 50.447 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 11.313 -39.210 51.495 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 4.204 -39.440 47.561 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 3.339 -39.368 47.965 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 4.149 -38.893 46.777 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 8.915 -39.552 46.737 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 8.458 -39.023 46.083 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 9.078 -38.949 47.462 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.242 -40.674 47.682 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 10.338 -40.509 47.416 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 11.671 -39.821 47.616 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 13.847 -39.104 47.977 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 13.665 -38.188 47.766 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 14.023 -39.514 47.130 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 1.152 -40.417 45.442 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 1.133 -40.842 46.299 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 1.957 -40.735 45.033 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 5.830 -41.237 44.945 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 6.043 -42.125 44.658 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 5.895 -41.271 45.900 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 10.494 -21.628 -12.765 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 11.114 -22.305 -13.038 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.286 -21.846 -11.857 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 12.147 -23.112 -14.004 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.572 -23.819 -14.489 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 12.464 -22.311 -14.421 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 11.192 -24.571 -10.044 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 10.951 -23.909 -9.396 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 10.994 -25.405 -9.619 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 5.763 -25.675 -6.061 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 5.451 -24.893 -5.605 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 5.113 -25.828 -6.747 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 4.002 -23.603 -5.297 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 4.010 -23.739 -6.245 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 3.086 -23.721 -5.045 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 8.526 -24.390 -6.565 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 8.613 -23.564 -6.090 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 7.662 -24.720 -6.316 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 8.940 -20.618 -16.759 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 8.865 -20.739 -17.705 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 8.973 -19.668 -16.640 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.829 -20.096 -4.334 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 15.029 -19.672 -5.169 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 15.485 -19.753 -3.727 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 11.397 -24.968 -6.702 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 10.496 -24.785 -6.970 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 11.431 -24.709 -5.781 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 7.069 -22.989 -8.824 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.432 -22.134 -9.057 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.601 -23.281 -8.083 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 13.272 -22.338 -6.654 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 12.670 -22.893 -7.149 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 13.553 -21.671 -7.280 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 14.542 -22.084 -10.687 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 14.386 -21.406 -11.344 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 15.474 -22.012 -10.484 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 0.256 -21.413 -4.459 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 0.796 -21.630 -3.700 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 -0.225 -22.219 -4.649 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 4.853 -22.494 -2.839 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 5.621 -22.953 -2.498 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 4.832 -22.720 -3.769 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 11.430 -24.114 -4.110 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 11.079 -24.970 -3.867 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 12.156 -23.971 -3.503 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 17.258 -21.434 -10.458 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 17.236 -21.249 -9.519 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 17.948 -20.865 -10.799 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 16.821 -21.867 -7.536 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 16.334 -22.602 -7.907 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 17.370 -22.260 -6.858 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.272 -26.077 -2.898 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 14.406 -26.182 -2.504 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 15.648 -25.318 -2.451 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 15.213 -24.104 -8.305 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 14.565 -23.779 -7.680 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 14.695 -24.544 -8.980 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 13.996 -21.344 -14.886 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 14.649 -21.691 -15.494 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 14.507 -20.855 -14.240 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 4.335 -23.440 -8.084 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 3.910 -22.631 -8.367 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 5.240 -23.355 -8.386 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 8.646 -22.041 -5.125 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 8.831 -22.375 -4.247 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 9.493 -21.732 -5.447 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 1.737 -20.184 -8.037 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 1.017 -19.744 -8.488 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 1.371 -20.435 -7.188 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 4.204 -20.584 -9.007 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 3.339 -20.512 -8.603 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 4.149 -20.037 -9.791 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 11.242 -21.818 -8.886 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 10.338 -21.653 -9.152 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 11.671 -20.965 -8.952 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 13.847 -20.248 -8.591 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 13.665 -19.332 -8.802 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 14.023 -20.658 -9.438 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.830 -22.381 -11.623 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.043 -23.269 -11.910 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 5.895 -22.415 -10.668 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 15.194 -22.813 -4.728 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 14.412 -22.999 -5.248 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 15.122 -21.884 -4.511 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 10.744 -28.927 4.158 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 10.833 -27.983 4.026 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 10.105 -29.202 3.500 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 9.677 -29.672 7.577 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 9.639 -30.318 8.282 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 9.354 -30.138 6.806 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 2.045 -30.057 9.170 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 2.087 -30.683 9.894 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 2.748 -29.434 9.352 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 13.383 -26.733 5.879 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 12.942 -27.453 6.329 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 13.370 -26.012 6.509 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 2.969 -25.607 7.705 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 2.599 -26.409 7.336 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 3.910 -25.776 7.752 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 8.066 -27.239 7.983 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 8.370 -27.925 7.389 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 8.788 -27.121 8.601 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 16.729 -35.638 8.844 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 16.778 -35.028 9.580 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 17.155 -35.177 8.121 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 11.207 -32.845 8.311 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 11.350 -33.792 8.331 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 11.101 -32.638 7.382 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 3.172 -35.826 9.657 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 2.953 -35.296 8.891 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 2.504 -35.599 10.305 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 10.541 -26.326 3.201 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 10.245 -26.648 2.350 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 10.217 -25.426 3.243 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 5.741 -28.150 9.945 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 5.001 -27.552 10.048 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.455 -27.596 9.629 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 13.848 -35.322 5.965 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 13.633 -36.088 6.497 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 14.504 -34.850 6.478 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 2.766 -33.934 7.610 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 3.379 -33.301 7.983 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 3.278 -34.406 6.953 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 13.895 -24.893 8.227 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 12.953 -24.835 8.388 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 14.171 -23.987 8.090 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 14.195 -36.607 9.644 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 13.459 -35.996 9.606 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 14.879 -36.192 9.118 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 14.992 -26.645 11.838 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 15.132 -27.236 11.099 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 15.160 -25.772 11.482 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 16.834 -30.305 9.904 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 16.182 -29.610 9.993 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 17.299 -30.095 9.094 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 12.871 -29.473 2.562 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 12.139 -29.245 3.135 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 13.318 -30.187 3.017 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 5.883 -25.415 7.126 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 5.788 -25.993 6.369 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 6.612 -25.786 7.622 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 4.883 -30.074 8.078 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 5.448 -29.953 7.315 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 5.202 -29.437 8.717 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 11.192 -24.571 8.812 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 10.951 -23.909 9.460 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 10.994 -25.405 9.237 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 16.630 -24.195 -1.563 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 16.703 -23.256 -1.393 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 17.535 -24.500 -1.620 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 -0.401 -27.410 10.849 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 -0.902 -27.438 10.034 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 -0.395 -28.316 11.159 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 -0.650 -24.630 7.733 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 0.296 -24.774 7.714 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 -0.763 -23.846 8.270 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 4.467 -37.617 7.888 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 3.606 -37.704 7.480 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 4.445 -36.761 8.315 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 9.130 -37.895 11.262 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 9.550 -38.310 12.015 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 8.197 -38.073 11.379 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 4.558 -32.651 8.983 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 3.916 -32.692 9.692 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 4.595 -31.725 8.745 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 2.308 -32.331 10.850 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 2.270 -31.931 11.718 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 1.817 -33.148 10.940 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 10.359 -30.930 10.197 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 10.683 -31.561 9.554 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 9.919 -31.465 10.858 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 11.542 -35.768 8.245 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 10.865 -35.637 8.909 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 11.056 -35.923 7.435 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 8.457 -32.215 6.868 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 9.021 -32.762 6.321 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 8.309 -32.737 7.657 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 7.083 -33.827 9.282 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 6.248 -33.373 9.392 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 7.607 -33.551 10.034 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 14.777 -28.481 9.753 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 15.419 -28.024 9.210 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 13.947 -28.368 9.291 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 9.147 -27.430 12.204 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 8.801 -27.811 13.010 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 8.947 -26.496 12.275 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 2.752 -28.319 6.736 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 3.497 -28.321 6.135 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 2.830 -29.143 7.218 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 9.753 -26.155 -0.008 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 9.458 -25.329 0.374 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 9.050 -26.775 0.188 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -0.240 -29.858 12.051 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -0.017 -30.276 12.883 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 -0.842 -30.471 11.629 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 12.584 -29.129 8.008 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 11.656 -29.361 7.981 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 13.035 -29.906 7.678 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 7.069 -22.989 10.032 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 7.432 -22.134 9.799 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 7.601 -23.281 10.773 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 5.238 -22.116 3.262 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 4.288 -22.011 3.314 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 5.589 -21.296 3.607 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 10.613 -26.890 9.733 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 10.187 -27.117 10.559 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 11.194 -27.628 9.550 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 12.816 -25.961 -1.193 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 13.169 -26.341 -0.389 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 11.867 -26.054 -1.107 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 13.682 -27.288 1.033 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 13.405 -28.016 1.589 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 14.609 -27.169 1.239 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 6.907 -24.849 -2.746 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 7.146 -25.597 -3.294 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 6.638 -25.237 -1.914 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 10.129 -35.364 10.499 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 10.827 -35.290 11.149 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 9.748 -36.228 10.654 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.582 -23.581 0.459 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 7.765 -23.084 0.512 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 9.111 -23.106 -0.181 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 5.920 -22.538 0.441 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 6.081 -21.738 -0.060 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 5.723 -22.231 1.326 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 13.455 -31.340 6.547 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 12.658 -31.755 6.218 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 13.900 -32.031 7.038 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 2.037 -37.966 6.906 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 1.808 -37.907 5.979 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 1.594 -38.758 7.213 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 8.945 -22.986 -2.608 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 8.301 -23.617 -2.286 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 9.707 -23.517 -2.840 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 13.549 -23.169 -2.374 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 13.832 -23.963 -1.921 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 14.289 -22.936 -2.935 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 12.553 -27.717 12.167 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 13.298 -27.129 12.047 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 11.796 -27.135 12.230 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 5.694 -35.669 10.720 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.230 -35.218 10.068 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 4.842 -35.777 10.298 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 7.276 -30.230 10.960 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 8.027 -30.386 10.387 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 6.937 -29.378 10.684 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.500 -38.213 11.152 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 6.402 -37.266 11.046 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 5.757 -38.585 10.676 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 6.722 -38.919 13.823 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 7.434 -39.559 13.809 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 6.621 -38.652 12.909 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 6.622 -20.353 -0.947 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 7.555 -20.195 -0.803 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 6.358 -19.678 -1.572 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 -0.291 -22.243 5.418 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 -0.625 -23.124 5.590 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 -0.069 -21.898 6.282 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 16.573 -27.820 1.472 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 17.423 -27.399 1.600 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 16.578 -28.560 2.080 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 16.726 -26.982 8.244 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 17.560 -27.360 7.963 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 16.838 -26.039 8.125 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 -0.211 -29.168 7.869 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 -0.027 -29.250 6.934 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 0.638 -29.292 8.293 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 15.076 -33.082 7.757 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 16.009 -32.870 7.723 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 14.841 -32.980 8.680 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 0.608 -35.585 6.901 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 1.053 -36.377 7.203 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 1.074 -34.869 7.332 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 -1.088 -32.586 7.970 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -0.596 -32.807 7.180 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -0.726 -31.745 8.251 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 -0.811 -37.590 10.369 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 -1.476 -37.836 11.012 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 -1.254 -36.968 9.792 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.737 -20.184 10.819 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 1.017 -19.744 10.368 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 1.371 -20.435 11.668 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 4.204 -20.584 9.849 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 3.339 -20.512 10.253 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 4.149 -20.037 9.065 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 8.915 -20.696 9.025 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 8.458 -20.167 8.371 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 9.078 -20.093 9.750 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 11.242 -21.818 9.970 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 10.338 -21.653 9.704 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 11.671 -20.965 9.904 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 1.152 -21.561 7.730 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 1.133 -21.986 8.587 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 1.957 -21.879 7.321 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 3.293 -22.851 6.385 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 3.074 -23.767 6.554 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 4.117 -22.711 6.851 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 5.830 -22.381 7.233 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 6.043 -23.269 6.946 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 5.895 -22.415 8.188 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 9.267 -21.127 -0.702 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 10.133 -20.761 -0.880 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 9.020 -21.567 -1.515 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 2.221 -21.417 -2.074 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 1.953 -21.130 -1.201 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 2.992 -21.963 -1.922 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 9.677 -29.672 45.289 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.639 -30.318 45.994 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 9.354 -30.138 44.518 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 13.383 -26.733 43.591 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 12.942 -27.453 44.041 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 13.370 -26.012 44.221 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 -0.421 -31.947 40.810 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 -0.869 -31.101 40.792 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 -0.982 -32.527 40.295 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 0.289 -29.785 42.936 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.503 -30.555 43.463 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 1.027 -29.696 42.333 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 10.494 -21.628 43.803 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 11.114 -22.305 43.530 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 10.286 -21.846 44.711 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 8.066 -27.239 45.695 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 8.370 -27.925 45.101 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 8.788 -27.121 46.313 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 4.362 -34.744 43.295 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 4.405 -33.884 42.877 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 3.904 -35.296 42.662 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 0.982 -32.347 44.057 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 1.636 -32.897 44.489 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 1.006 -32.621 43.141 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.138 -30.797 43.273 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 6.754 -31.323 43.782 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 5.552 -31.437 42.869 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 3.172 -35.826 47.369 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 2.953 -35.296 46.603 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 2.504 -35.599 48.017 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 2.766 -33.934 45.322 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.379 -33.301 45.695 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 3.278 -34.406 44.665 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 7.198 -38.520 44.822 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 7.081 -39.469 44.768 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 6.343 -38.188 45.095 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 12.147 -23.112 42.564 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 12.572 -23.819 42.079 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 12.464 -22.311 42.147 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 13.306 -25.211 41.073 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 13.049 -25.901 40.461 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 13.377 -25.654 41.918 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 14.992 -26.645 49.550 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 15.132 -27.236 48.811 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 15.160 -25.772 49.194 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.834 -30.305 47.616 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 16.182 -29.610 47.705 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 17.299 -30.095 46.806 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 12.768 -31.299 49.342 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 12.848 -30.536 49.914 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 12.167 -31.020 48.651 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 4.516 -28.843 42.157 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 4.186 -29.213 41.338 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 5.104 -29.513 42.503 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 4.883 -30.074 45.790 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 5.448 -29.953 45.027 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 5.202 -29.437 46.429 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 9.468 -23.574 41.394 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 9.942 -23.279 42.172 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 8.905 -22.836 41.161 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 8.940 -20.618 39.809 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 8.865 -20.739 38.863 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 8.973 -19.668 39.928 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 2.594 -21.829 41.590 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 2.746 -22.177 42.469 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 1.743 -22.185 41.335 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 11.711 -21.538 39.561 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 10.776 -21.438 39.740 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 11.991 -22.247 40.139 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.699 -32.471 51.607 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 14.292 -31.990 50.887 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.740 -33.376 51.300 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 4.467 -37.617 45.600 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 3.606 -37.704 45.192 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 4.445 -36.761 46.027 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 9.130 -37.895 48.974 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 9.550 -38.310 49.727 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 8.197 -38.073 49.091 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 12.456 -34.139 49.828 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 11.942 -34.265 50.625 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 12.301 -33.227 49.583 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 4.558 -32.651 46.695 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 3.916 -32.692 47.404 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 4.595 -31.725 46.457 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 4.555 -32.430 41.607 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 3.662 -32.771 41.548 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 5.006 -32.807 40.851 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 9.193 -31.839 51.912 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 8.630 -32.543 52.232 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.019 -31.959 52.379 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 10.359 -30.930 47.909 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 10.683 -31.561 47.266 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 9.919 -31.465 48.570 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 7.083 -33.827 46.994 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 6.248 -33.373 47.104 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 7.607 -33.551 47.746 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 14.777 -28.481 47.465 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 15.419 -28.024 46.922 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 13.947 -28.368 47.003 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 2.752 -28.319 44.448 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 3.497 -28.321 43.847 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 2.830 -29.143 44.930 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 15.424 -23.937 38.698 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.051 -24.763 39.008 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 15.701 -24.120 37.801 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 12.584 -29.129 45.720 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 11.656 -29.361 45.693 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 13.035 -29.906 45.390 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 5.127 -24.801 41.853 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 5.654 -24.028 41.652 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 4.247 -24.576 41.551 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 6.554 -27.138 41.429 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 6.313 -26.213 41.471 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 5.814 -27.597 41.825 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 5.238 -22.116 40.974 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 4.288 -22.011 41.026 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 5.589 -21.296 41.319 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 10.613 -26.890 47.445 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 10.187 -27.117 48.271 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 11.194 -27.628 47.262 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 10.129 -35.364 48.211 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 10.827 -35.290 48.861 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 9.748 -36.228 48.366 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 8.649 -32.998 49.328 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 8.768 -32.424 50.085 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 9.304 -33.686 49.443 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 14.853 -35.091 50.163 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 13.937 -34.828 50.075 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 15.189 -35.094 49.266 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 2.037 -37.966 44.618 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 1.808 -37.907 43.691 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 1.594 -38.758 44.925 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 0.967 -24.026 40.779 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 0.135 -23.553 40.806 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 1.513 -23.516 40.180 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 12.553 -27.717 49.879 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 13.298 -27.129 49.759 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 11.796 -27.135 49.942 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 7.276 -30.230 48.672 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 8.027 -30.386 48.099 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 6.937 -29.378 48.396 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 13.008 -29.626 51.778 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 12.727 -28.917 51.200 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 13.951 -29.699 51.627 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 6.500 -38.213 48.864 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 6.402 -37.266 48.758 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 5.757 -38.585 48.388 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 10.480 -34.764 51.503 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 9.532 -34.732 51.635 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 10.792 -35.389 52.157 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 -1.161 -20.324 41.325 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 -1.808 -20.786 40.792 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 -0.806 -20.996 41.908 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 16.573 -27.820 39.184 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 17.423 -27.399 39.312 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 16.578 -28.560 39.792 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 16.726 -26.982 45.956 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 17.560 -27.360 45.675 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 16.838 -26.039 45.837 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 17.235 -29.866 37.399 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 16.714 -29.509 36.680 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 17.202 -29.191 38.077 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 15.610 -29.276 51.210 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 16.193 -30.010 51.401 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 16.174 -28.504 51.256 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 17.107 -31.373 51.894 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 16.244 -31.752 51.729 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 17.711 -32.112 51.820 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 0.608 -35.585 44.613 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 1.053 -36.377 44.915 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 1.074 -34.869 45.044 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 -1.088 -32.586 45.682 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 -0.596 -32.807 44.892 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 -0.726 -31.745 45.963 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 16.908 -36.256 51.948 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 15.991 -35.985 51.912 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 17.031 -36.791 51.164 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 13.996 -21.344 41.682 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 14.649 -21.691 41.074 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 14.507 -20.855 42.328 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 15.909 -38.166 49.767 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 15.096 -37.841 49.379 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 16.142 -38.926 49.234 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 9.339 -36.717 44.090 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 8.664 -37.346 44.345 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 9.903 -37.201 43.487 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 0.403 -22.337 38.613 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 -0.282 -22.375 37.945 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 0.406 -21.424 38.901 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 10.744 -10.071 -14.698 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 10.833 -9.127 -14.830 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 10.105 -10.346 -15.356 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 2.045 -11.201 -9.686 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 2.087 -11.827 -8.962 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 2.748 -10.578 -9.504 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 8.066 -8.383 -10.873 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 8.370 -9.069 -11.467 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 8.788 -8.265 -10.255 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 4.362 -15.888 -13.273 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 4.405 -15.028 -13.691 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 3.904 -16.440 -13.906 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 12.084 -15.757 -14.872 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 12.730 -16.086 -14.247 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 12.594 -15.239 -15.495 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 6.138 -11.941 -13.295 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 6.754 -12.467 -12.786 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 5.552 -12.581 -13.699 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 3.172 -16.970 -9.199 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 2.953 -16.440 -9.965 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 2.504 -16.743 -8.551 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 10.541 -7.470 -15.655 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 10.245 -7.792 -16.506 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 10.217 -6.570 -15.613 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 5.741 -9.294 -8.911 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.001 -8.696 -8.808 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.455 -8.740 -9.227 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 13.848 -16.466 -12.891 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 13.633 -17.232 -12.359 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 14.504 -15.994 -12.378 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 2.766 -15.078 -11.246 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 3.379 -14.445 -10.873 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 3.278 -15.550 -11.903 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 12.147 -4.256 -14.004 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 12.572 -4.963 -14.489 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 12.464 -3.455 -14.421 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 13.306 -6.355 -15.495 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 13.049 -7.045 -16.107 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 13.377 -6.798 -14.650 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 12.871 -10.617 -16.294 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 12.139 -10.389 -15.721 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 13.318 -11.331 -15.839 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 4.883 -11.218 -10.778 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 5.448 -11.097 -11.541 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 5.202 -10.581 -10.139 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 11.192 -5.715 -10.044 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 10.951 -5.053 -9.396 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 10.994 -6.549 -9.619 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 5.763 -6.819 -6.061 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 5.451 -6.037 -5.605 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 5.113 -6.972 -6.747 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 2.683 -10.621 -6.832 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 2.753 -9.970 -6.134 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 1.792 -10.518 -7.167 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 -0.401 -8.554 -8.007 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 -0.902 -8.582 -8.822 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 -0.395 -9.460 -7.697 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 17.547 -5.108 -5.441 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 17.498 -6.063 -5.478 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 16.721 -4.840 -5.039 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 8.526 -5.534 -6.565 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 8.613 -4.708 -6.090 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 7.662 -5.864 -6.316 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 1.848 -7.231 -6.964 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 2.065 -7.592 -6.104 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 0.993 -7.605 -7.174 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 4.467 -18.761 -10.968 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 3.606 -18.848 -11.376 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 4.445 -17.905 -10.541 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 4.558 -13.795 -9.873 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 3.916 -13.836 -9.164 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 4.595 -12.869 -10.111 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 4.555 -13.574 -14.961 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.662 -13.915 -15.020 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 5.006 -13.951 -15.717 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.091 -13.158 -16.144 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.682 -12.343 -16.436 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 10.811 -13.298 -16.759 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 11.095 -13.712 -13.330 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 10.900 -13.107 -14.045 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 11.277 -14.546 -13.765 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 2.308 -13.475 -8.006 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 2.270 -13.075 -7.138 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 1.817 -14.292 -7.916 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 7.137 -16.147 -13.875 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 6.226 -16.090 -13.586 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 7.642 -16.207 -13.064 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 14.829 -1.240 -4.334 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 15.029 -0.816 -5.169 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 15.485 -0.897 -3.727 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 2.427 -8.766 -4.726 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 3.160 -8.512 -4.165 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 1.647 -8.562 -4.211 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 3.459 -17.223 -15.570 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 3.142 -18.125 -15.605 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 4.240 -17.221 -16.122 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 9.147 -8.574 -6.652 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 8.801 -8.955 -5.846 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 8.947 -7.640 -6.581 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 -0.240 -11.002 -6.805 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 -0.017 -11.420 -5.973 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 -0.842 -11.615 -7.227 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 11.397 -6.112 -6.702 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 10.496 -5.929 -6.970 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 11.431 -5.853 -5.781 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 13.272 -3.482 -6.654 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 12.670 -4.037 -7.149 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 13.553 -2.815 -7.280 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 1.394 -16.249 -7.247 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 0.501 -15.910 -7.314 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 1.295 -17.104 -6.829 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 13.682 -8.432 -17.823 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 13.405 -9.160 -17.267 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 14.609 -8.313 -17.617 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 10.913 -16.856 -17.260 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 11.133 -16.384 -18.063 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 11.471 -16.461 -16.589 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 8.113 -15.128 -16.425 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 8.925 -14.624 -16.379 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 7.868 -15.273 -15.511 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 8.997 -18.047 -15.487 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 8.650 -17.429 -14.842 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 9.655 -17.546 -15.968 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 14.542 -3.228 -10.687 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 14.386 -2.550 -11.344 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 15.474 -3.156 -10.484 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 2.037 -19.110 -11.950 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 1.808 -19.051 -12.877 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 1.594 -19.902 -11.643 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.430 -5.258 -4.110 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 11.079 -6.114 -3.867 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 12.156 -5.115 -3.503 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 0.163 -8.747 -3.505 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 0.307 -9.649 -3.791 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 -0.610 -8.461 -3.993 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 6.818 -8.777 -4.072 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 6.490 -8.506 -4.930 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 6.970 -9.718 -4.160 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 9.962 -10.067 -3.433 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 10.915 -9.983 -3.461 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 9.802 -10.778 -2.814 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 7.276 -11.374 -7.896 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 8.027 -11.530 -8.469 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 6.937 -10.522 -8.172 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 17.258 -2.578 -10.458 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 17.236 -2.393 -9.519 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 17.948 -2.009 -10.799 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 16.821 -3.011 -7.536 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 16.334 -3.746 -7.907 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 17.370 -3.404 -6.858 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 16.573 -8.964 -17.384 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 17.423 -8.543 -17.256 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 16.578 -9.704 -16.776 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 16.967 -10.911 -15.560 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 16.241 -11.390 -15.162 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 17.548 -10.705 -14.828 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 15.213 -5.248 -8.305 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 14.565 -4.923 -7.680 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.695 -5.688 -8.980 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 14.754 -12.390 -14.997 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 14.604 -13.335 -15.017 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 14.400 -12.109 -14.153 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 14.464 -14.807 -16.535 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 14.744 -15.714 -16.410 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 15.223 -14.373 -16.924 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 -0.613 -15.041 -4.846 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 0.306 -15.163 -4.610 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 -1.063 -15.791 -4.457 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 15.078 -17.544 -16.486 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 15.260 -17.993 -15.661 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 14.478 -18.129 -16.950 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 -0.811 -18.734 -8.487 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 -1.476 -18.980 -7.844 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 -1.254 -18.112 -9.064 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 11.242 -2.962 -8.886 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 10.338 -2.797 -9.152 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 11.671 -2.109 -8.952 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 14.481 -19.754 -12.366 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 15.085 -19.206 -12.867 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 13.612 -19.434 -12.606 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 16.208 -18.615 -14.032 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 16.820 -19.129 -14.559 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 16.591 -17.737 -14.009 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 6.245 -19.300 -14.843 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 7.119 -18.912 -14.873 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 6.109 -19.515 -13.920 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 11.802 -19.270 -13.194 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 11.878 -19.175 -14.143 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 11.526 -20.178 -13.065 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 1.623 -18.713 -5.139 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 1.257 -19.478 -4.696 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 2.536 -18.684 -4.852 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 3.596 -19.362 -3.603 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 4.495 -19.636 -3.788 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 3.210 -20.105 -3.139 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 15.194 -3.957 -4.728 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 14.412 -4.143 -5.248 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 15.122 -3.028 -4.511 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 10.744 -10.071 4.158 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 10.833 -9.127 4.026 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 10.105 -10.346 3.500 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.677 -10.816 7.577 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.639 -11.462 8.282 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 9.354 -11.282 6.806 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 13.383 -7.877 5.879 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 12.942 -8.597 6.329 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 13.370 -7.156 6.509 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 -0.421 -13.091 3.098 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 -0.869 -12.245 3.080 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 -0.982 -13.671 2.583 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 8.066 -8.383 7.983 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 8.370 -9.069 7.389 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 8.788 -8.265 8.601 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 6.138 -11.941 5.561 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.754 -12.467 6.070 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 5.552 -12.581 5.157 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 10.541 -7.470 3.201 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 10.245 -7.792 2.350 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 10.217 -6.570 3.243 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 5.741 -9.294 9.945 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 5.001 -8.696 10.048 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 6.455 -8.740 9.629 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 13.895 -6.037 8.227 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 12.953 -5.979 8.388 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.171 -5.131 8.090 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 7.198 -19.664 7.110 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 7.081 -20.613 7.056 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 6.343 -19.332 7.383 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 12.147 -4.256 4.852 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.572 -4.963 4.367 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 12.464 -3.455 4.435 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 13.306 -6.355 3.361 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 13.049 -7.045 2.749 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 13.377 -6.798 4.206 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 14.992 -7.789 11.838 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.132 -8.380 11.099 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 15.160 -6.916 11.482 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 9.465 -10.827 1.610 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 8.753 -10.292 1.259 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 10.156 -10.771 0.950 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.519 -12.369 -1.351 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 10.220 -12.347 -0.700 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.821 -12.997 -2.007 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.883 -11.218 8.078 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 5.448 -11.097 7.315 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.202 -10.581 8.717 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 11.192 -5.715 8.812 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 10.951 -5.053 9.460 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 10.994 -6.549 9.237 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 2.683 -10.621 12.024 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 2.753 -9.970 12.722 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 1.792 -10.518 11.689 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 9.468 -4.718 3.682 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 9.942 -4.423 4.460 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 8.905 -3.980 3.449 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 3.506 -10.917 2.034 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.214 -10.149 1.543 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 2.832 -11.577 1.871 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 12.042 -2.608 -0.900 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.417 -3.352 -1.371 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.046 -2.878 0.018 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 11.711 -2.682 1.849 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 10.776 -2.582 2.028 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.991 -3.391 2.427 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 4.467 -18.761 7.888 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 3.606 -18.848 7.480 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 4.445 -17.905 8.315 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 4.558 -13.795 8.983 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 3.916 -13.836 9.692 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 4.595 -12.869 8.745 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 4.555 -13.574 3.895 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 3.662 -13.915 3.836 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 5.006 -13.951 3.139 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 2.308 -13.475 10.850 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 2.270 -13.075 11.718 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 1.817 -14.292 10.940 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 0.191 -15.613 0.124 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 0.665 -15.022 -0.461 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 -0.527 -15.082 0.471 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 7.137 -16.147 4.981 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.226 -16.090 5.270 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 7.642 -16.207 5.792 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 1.965 -14.518 3.808 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 1.076 -14.418 3.468 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 2.261 -15.360 3.462 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 5.618 -14.518 1.464 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 6.550 -14.389 1.642 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 5.403 -13.848 0.815 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 8.457 -13.359 6.868 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 9.021 -13.906 6.321 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 8.309 -13.881 7.657 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 3.459 -17.223 3.286 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 3.142 -18.125 3.251 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 4.240 -17.221 2.734 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 7.083 -14.971 9.282 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 6.248 -14.517 9.392 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 7.607 -14.695 10.034 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 7.627 -8.758 0.967 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 6.883 -9.265 0.644 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 7.493 -8.709 1.913 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 14.777 -9.625 9.753 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 15.419 -9.168 9.210 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 13.947 -9.512 9.291 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 9.147 -8.574 12.204 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 8.801 -8.955 13.010 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 8.947 -7.640 12.275 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.753 -7.299 -0.008 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.458 -6.473 0.374 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.050 -7.919 0.188 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 11.397 -6.112 12.154 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 10.496 -5.929 11.886 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 11.431 -5.853 13.075 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 17.092 -8.067 13.358 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 16.240 -7.829 12.991 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 17.682 -8.084 12.605 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 15.424 -5.081 0.986 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 15.051 -5.907 1.296 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 15.701 -5.264 0.089 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 0.882 -11.083 -1.272 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 1.498 -10.456 -0.893 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 0.020 -10.767 -1.001 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 10.613 -8.034 9.733 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 10.187 -8.261 10.559 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 11.194 -8.772 9.550 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 17.320 -2.625 -0.992 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 18.063 -2.039 -1.132 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 16.625 -2.057 -0.659 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 6.907 -5.993 -2.746 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.146 -6.741 -3.294 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.638 -6.381 -1.914 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 2.297 -9.170 0.220 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 1.611 -8.818 0.787 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 2.820 -8.407 -0.026 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 8.582 -4.725 0.459 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 7.765 -4.228 0.512 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 9.111 -4.250 -0.181 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 8.113 -15.128 2.431 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 8.925 -14.624 2.477 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 7.868 -15.273 3.345 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 8.997 -18.047 3.369 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 8.650 -17.429 4.014 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 9.655 -17.546 2.888 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 4.654 -16.984 0.057 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 4.571 -16.095 0.403 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.544 -17.249 0.288 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 8.945 -4.130 -2.608 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 8.301 -4.761 -2.286 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 9.707 -4.661 -2.840 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.549 -4.313 -2.374 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.832 -5.107 -1.921 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 14.289 -4.080 -2.935 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 4.504 -8.403 -2.517 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 4.568 -9.197 -1.986 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 5.157 -8.522 -3.206 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 6.818 -8.777 14.784 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 6.490 -8.506 13.926 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 6.970 -9.718 14.696 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 9.856 -7.356 -2.781 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 9.588 -7.176 -1.880 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 9.650 -8.282 -2.912 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 12.553 -8.861 12.167 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 13.298 -8.273 12.047 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 11.796 -8.279 12.230 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 5.653 -10.431 -0.211 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 5.194 -10.915 0.475 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 5.908 -11.099 -0.847 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 4.942 -12.538 12.145 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 4.324 -11.863 12.426 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 5.286 -12.217 11.312 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 5.282 -15.183 13.228 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 5.432 -15.912 12.625 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 5.284 -14.406 12.669 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 5.694 -16.813 10.720 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 6.230 -16.362 10.068 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 4.842 -16.921 10.298 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 7.276 -11.374 10.960 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 8.027 -11.530 10.387 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 6.937 -10.522 10.684 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 3.760 -13.985 15.139 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 2.993 -14.517 14.929 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 4.439 -14.295 14.540 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 6.500 -19.357 11.152 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 6.402 -18.410 11.046 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 5.757 -19.729 10.676 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 1.941 -16.064 14.844 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 2.152 -16.771 14.233 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 1.829 -16.502 15.688 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 15.272 -7.221 15.958 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 14.406 -7.326 16.352 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 15.648 -6.462 16.405 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 16.726 -8.126 8.244 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 17.560 -8.504 7.963 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 16.838 -7.183 8.125 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 15.610 -10.420 13.498 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 16.193 -11.154 13.689 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 16.174 -9.648 13.544 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 -0.613 -15.041 14.010 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 0.306 -15.163 14.246 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 -1.063 -15.791 14.399 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 -0.775 -17.472 2.025 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 -1.700 -17.263 1.895 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 -0.321 -16.988 1.335 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 -0.811 -18.734 10.369 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 -1.476 -18.980 11.012 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 -1.254 -18.112 9.792 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 9.339 -17.861 6.378 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 8.664 -18.490 6.633 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 9.903 -18.345 5.775 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 0.502 -19.429 0.003 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 0.941 -18.818 -0.588 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 -0.132 -18.891 0.477 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 6.245 -19.300 4.013 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 7.119 -18.912 3.983 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 6.109 -19.515 4.936 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 2.363 -17.513 -1.554 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 2.854 -18.143 -2.082 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 2.986 -17.217 -0.891 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 7.389 -17.220 0.903 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 7.567 -17.866 1.586 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 7.335 -16.386 1.370 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 9.267 -2.271 -0.702 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 10.133 -1.905 -0.880 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 9.020 -2.711 -1.515 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 15.976 -2.708 1.978 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 15.782 -3.456 1.413 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 15.937 -1.950 1.394 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 1.623 -18.713 13.717 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 1.257 -19.478 14.160 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 2.536 -18.684 14.004 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.596 -19.362 15.253 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.495 -19.636 15.068 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 3.210 -20.105 15.717 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 10.744 -10.071 23.014 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 10.833 -9.127 22.882 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 10.105 -10.346 22.356 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 9.677 -10.816 26.433 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 9.639 -11.462 27.138 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 9.354 -11.282 25.662 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 2.045 -11.201 28.026 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 2.087 -11.827 28.750 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 2.748 -10.578 28.208 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.383 -7.877 24.735 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 12.942 -8.597 25.185 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 13.370 -7.156 25.365 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 -0.421 -13.091 21.954 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 -0.869 -12.245 21.936 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 -0.982 -13.671 21.439 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 0.289 -10.929 24.080 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 0.503 -11.699 24.607 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 1.027 -10.840 23.477 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 8.066 -8.383 26.839 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 8.370 -9.069 26.245 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 8.788 -8.265 27.457 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 0.982 -13.491 25.201 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 1.636 -14.041 25.633 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 1.006 -13.765 24.285 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 6.138 -11.941 24.417 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 6.754 -12.467 24.926 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 5.552 -12.581 24.013 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 10.541 -7.470 22.057 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 10.245 -7.792 21.206 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 10.217 -6.570 22.099 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 5.741 -9.294 28.801 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 5.001 -8.696 28.904 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 6.455 -8.740 28.485 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 4.149 -7.330 29.588 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 4.143 -6.451 29.210 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 3.295 -7.413 30.013 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 14.992 -7.789 30.694 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 15.132 -8.380 29.955 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 15.160 -6.916 30.338 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 9.465 -10.827 20.466 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 8.753 -10.292 20.115 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 10.156 -10.771 19.806 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 12.871 -10.617 21.418 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 12.139 -10.389 21.991 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 13.318 -11.331 21.873 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 4.516 -9.987 23.301 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 4.186 -10.357 22.482 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 5.104 -10.657 23.647 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 11.742 -11.455 19.103 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 12.321 -11.305 19.850 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 12.156 -10.984 18.380 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 2.683 -10.621 30.880 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 2.753 -9.970 31.578 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 1.792 -10.518 30.545 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 3.506 -10.917 20.890 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 3.214 -10.149 20.399 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 2.832 -11.577 20.727 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 17.547 -5.108 32.271 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 17.498 -6.063 32.234 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 16.721 -4.840 32.673 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 13.219 -10.422 16.733 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 13.261 -10.645 15.803 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 14.068 -10.024 16.923 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 4.555 -13.574 22.751 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 3.662 -13.915 22.692 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 5.006 -13.951 21.995 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 9.193 -12.983 33.056 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 8.630 -13.687 33.376 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 10.019 -13.103 33.523 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 0.191 -15.613 18.980 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 0.665 -15.022 18.395 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 -0.527 -15.082 19.327 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 10.359 -12.074 29.053 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 10.683 -12.705 28.410 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 9.919 -12.609 29.714 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 1.965 -14.518 22.664 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 1.076 -14.418 22.324 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 2.261 -15.360 22.318 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 5.618 -14.518 20.320 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 6.550 -14.389 20.498 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 5.403 -13.848 19.671 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 4.292 -13.323 17.887 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 3.750 -13.703 17.196 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 5.126 -13.129 17.458 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 3.459 -17.223 22.142 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 3.142 -18.125 22.107 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 4.240 -17.221 21.590 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 7.627 -8.758 19.823 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 6.883 -9.265 19.500 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 7.493 -8.709 20.769 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 14.777 -9.625 28.609 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 15.419 -9.168 28.066 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 13.947 -9.512 28.147 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 9.147 -8.574 31.060 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 8.801 -8.955 31.866 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 8.947 -7.640 31.131 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 2.752 -9.463 25.592 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 3.497 -9.465 24.991 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 2.830 -10.287 26.074 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 9.753 -7.299 18.848 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 9.458 -6.473 19.230 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 9.050 -7.919 19.044 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 -0.240 -11.002 30.907 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 -0.017 -11.420 31.739 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 -0.842 -11.615 30.485 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 6.777 -11.485 33.120 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 6.481 -11.651 32.225 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 7.708 -11.705 33.110 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 17.092 -8.067 32.214 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 16.240 -7.829 31.847 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 17.682 -8.084 31.461 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 12.584 -10.273 26.864 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 11.656 -10.505 26.837 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 13.035 -11.050 26.534 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 6.554 -8.282 22.573 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 6.313 -7.357 22.615 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 5.814 -8.741 22.969 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 10.613 -8.034 28.589 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 10.187 -8.261 29.415 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 11.194 -8.772 28.406 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 12.816 -7.105 17.663 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 13.169 -7.485 18.467 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 11.867 -7.198 17.749 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 13.682 -8.432 19.889 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 13.405 -9.160 20.445 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 14.609 -8.313 20.095 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 4.654 -16.984 18.913 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 4.571 -16.095 19.259 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 5.544 -17.249 19.144 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 1.229 -13.892 17.089 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 1.184 -12.953 17.268 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 0.341 -14.128 16.819 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 9.856 -7.356 16.075 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 9.588 -7.176 16.976 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 9.650 -8.282 15.944 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 12.553 -8.861 31.023 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 13.298 -8.273 30.903 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 11.796 -8.279 31.086 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 0.995 -11.547 33.627 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 1.403 -12.404 33.506 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 0.735 -11.532 34.548 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 5.653 -10.431 18.645 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 5.194 -10.915 19.331 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 5.908 -11.099 18.009 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 4.942 -12.538 31.001 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 4.324 -11.863 31.282 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 5.286 -12.217 30.168 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 6.724 -12.188 16.908 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 6.544 -12.342 15.980 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 7.675 -12.080 16.952 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 9.962 -10.067 34.279 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 10.915 -9.983 34.251 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 9.802 -10.778 34.898 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 16.114 -9.833 16.353 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 15.841 -10.258 15.540 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 16.154 -8.902 16.136 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 7.276 -11.374 29.816 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 8.027 -11.530 29.243 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 6.937 -10.522 29.540 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 11.692 -13.559 34.844 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 11.884 -14.490 34.733 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 12.549 -13.134 34.834 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 13.008 -10.770 32.922 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 12.727 -10.061 32.344 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 13.951 -10.843 32.771 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 3.760 -13.985 33.995 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 2.993 -14.517 33.785 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 4.439 -14.295 33.396 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 16.573 -8.964 20.328 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 17.423 -8.543 20.456 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 16.578 -9.704 20.936 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 16.726 -8.126 27.100 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 17.560 -8.504 26.819 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 16.838 -7.183 26.981 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 17.235 -11.010 18.543 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 16.714 -10.653 17.824 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 17.202 -10.335 19.221 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 14.754 -12.390 22.715 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 14.604 -13.335 22.695 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 14.400 -12.109 23.559 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 -0.211 -10.312 26.725 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 -0.027 -10.394 25.790 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 0.638 -10.436 27.149 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 15.610 -10.420 32.354 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 16.193 -11.154 32.545 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 16.174 -9.648 32.400 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 -0.613 -15.041 32.866 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 0.306 -15.163 33.102 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 -1.063 -15.791 33.255 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 0.608 -16.729 25.757 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 1.053 -17.521 26.059 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 1.074 -16.013 26.188 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 -1.088 -13.730 26.826 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 -0.596 -13.951 26.036 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 -0.726 -12.889 27.107 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 2.363 -17.513 17.302 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 2.854 -18.143 16.774 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 2.986 -17.217 17.965 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 9.519 -12.369 36.361 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 10.220 -12.347 37.012 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 9.821 -12.997 35.705 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 13.219 -10.422 35.589 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 13.261 -10.645 34.659 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 14.068 -10.024 35.779 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 8.792 -16.546 36.259 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 8.538 -16.527 37.182 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 8.535 -17.418 35.958 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 0.191 -15.613 37.836 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 0.665 -15.022 37.251 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 -0.527 -15.082 38.183 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 5.618 -14.518 39.176 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 6.550 -14.389 39.354 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 5.403 -13.848 38.527 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 4.292 -13.323 36.743 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 3.750 -13.703 36.052 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 5.126 -13.129 36.314 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 3.459 -17.223 40.998 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 3.142 -18.125 40.963 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 4.240 -17.221 40.446 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 11.525 -15.944 36.878 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 10.587 -15.832 36.727 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 11.822 -15.087 37.184 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 12.243 -14.077 38.539 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 13.135 -14.214 38.858 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 12.300 -13.286 38.002 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 17.128 -13.867 38.233 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 16.574 -14.263 37.561 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 17.229 -12.957 37.956 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 10.913 -16.856 39.308 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 11.133 -16.384 38.505 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 11.471 -16.461 39.979 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 8.113 -15.128 40.143 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 8.925 -14.624 40.189 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 7.868 -15.273 41.057 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 8.997 -18.047 41.081 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 8.650 -17.429 41.726 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 9.655 -17.546 40.600 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 4.654 -16.984 37.769 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 4.571 -16.095 38.115 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 5.544 -17.249 38.000 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 1.229 -13.892 35.945 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 1.184 -12.953 36.124 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 0.341 -14.128 35.675 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 6.724 -12.188 35.764 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 6.544 -12.342 34.836 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 7.675 -12.080 35.808 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 16.114 -9.833 35.209 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 15.841 -10.258 34.396 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 16.154 -8.902 34.992 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 17.235 -11.010 37.399 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 16.714 -10.653 36.680 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 17.202 -10.335 38.077 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 15.584 -13.770 35.950 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 15.681 -13.103 35.270 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 15.444 -14.586 35.468 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 14.464 -14.807 40.033 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 14.744 -15.714 40.158 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 15.223 -14.373 39.644 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 15.078 -17.544 40.082 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 15.260 -17.993 40.907 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 14.478 -18.129 39.618 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 -0.775 -17.472 39.737 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 -1.700 -17.263 39.607 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 -0.321 -16.988 39.047 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.208 -18.615 42.536 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.820 -19.129 42.009 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.591 -17.737 42.559 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 1.665 -19.227 41.912 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 0.888 -19.461 41.404 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 2.196 -20.024 41.920 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 6.245 -19.300 41.725 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 7.119 -18.912 41.695 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 6.109 -19.515 42.648 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 13.155 -19.244 39.067 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 12.452 -18.630 38.857 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 12.710 -20.082 39.198 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 2.363 -17.513 36.158 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 2.854 -18.143 35.630 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 2.986 -17.217 36.821 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 7.389 -17.220 38.615 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 7.567 -17.866 39.298 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 7.335 -16.386 39.082 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 12.018 -1.174 -3.421 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 12.094 -1.600 -2.567 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 12.911 -1.160 -3.763 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 24.619 -44.531 12.795 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 24.307 -43.749 13.251 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 23.969 -44.684 12.109 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 22.858 -42.459 13.559 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 22.866 -42.595 12.611 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 21.942 -42.577 13.811 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 21.283 -46.478 14.130 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 22.016 -46.224 14.691 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 20.503 -46.274 14.645 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 19.901 -42.156 10.044 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 20.118 -43.088 10.013 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 20.148 -41.882 10.928 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 19.019 -46.459 15.351 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 19.163 -47.361 15.065 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 18.246 -46.173 14.863 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 25.674 -46.489 14.784 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 25.346 -46.218 13.926 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 25.826 -47.430 14.696 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.237 -43.271 14.513 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.416 -43.096 14.053 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 19.985 -43.344 15.434 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 23.191 -42.296 10.772 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.766 -41.487 10.489 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 24.096 -42.211 10.470 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 27.502 -40.897 13.731 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 27.687 -41.231 14.609 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 28.349 -40.588 13.409 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 20.593 -39.040 10.819 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 19.873 -38.600 10.368 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 20.227 -39.291 11.668 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 23.060 -39.440 9.849 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 22.195 -39.368 10.253 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 23.005 -38.893 9.065 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.008 -40.417 7.730 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.989 -40.842 8.587 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 20.813 -40.735 7.321 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.901 -48.913 28.026 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.943 -49.539 28.750 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 21.604 -48.290 28.208 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 18.435 -50.803 21.954 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 17.987 -49.957 21.936 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 17.874 -51.383 21.439 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 19.145 -48.641 24.080 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 19.359 -49.411 24.607 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 19.883 -48.552 23.477 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 29.350 -40.484 24.947 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 29.970 -41.161 24.674 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 29.142 -40.702 25.855 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 26.922 -46.095 26.839 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 27.226 -46.781 26.245 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 27.644 -45.977 27.457 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 29.397 -45.182 22.057 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 29.101 -45.504 21.206 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 29.073 -44.282 22.099 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 24.597 -47.006 28.801 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 23.857 -46.408 28.904 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 25.311 -46.452 28.485 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 19.126 -45.371 20.370 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 18.854 -45.142 19.481 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 19.171 -44.533 20.830 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 31.003 -41.968 23.708 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 31.428 -42.675 23.223 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 31.320 -41.167 23.291 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 23.372 -47.699 23.301 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.042 -48.069 22.482 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 23.960 -48.369 23.647 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 23.739 -48.930 26.934 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.304 -48.809 26.171 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.058 -48.293 27.573 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 30.048 -43.427 27.668 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 29.807 -42.765 28.316 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 29.850 -44.261 28.093 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.539 -48.333 30.880 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 21.609 -47.682 31.578 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 20.648 -48.230 30.545 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 28.324 -42.430 22.538 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 28.798 -42.135 23.316 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 27.761 -41.692 22.305 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 22.362 -48.629 20.890 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 22.070 -47.861 20.399 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 21.688 -49.289 20.727 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 18.455 -46.266 29.705 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 17.954 -46.294 28.890 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 18.461 -47.172 30.015 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 27.382 -43.246 31.147 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 27.469 -42.420 31.622 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 26.518 -43.576 31.396 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 27.796 -39.474 20.953 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 27.721 -39.595 20.007 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 27.829 -38.524 21.072 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 30.898 -40.320 17.956 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 31.273 -41.064 17.485 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 30.902 -40.590 18.874 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 26.483 -46.470 19.823 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 25.739 -46.977 19.500 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 26.349 -46.421 20.769 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 28.003 -46.286 31.060 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 27.657 -46.667 31.866 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 27.803 -45.352 31.131 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 21.608 -47.175 25.592 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 22.353 -47.177 24.991 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 21.686 -47.999 26.074 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 28.609 -45.011 18.848 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 28.314 -44.185 19.230 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 27.906 -45.631 19.044 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 18.616 -48.714 30.907 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 18.839 -49.132 31.739 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 18.014 -49.327 30.485 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 25.633 -49.197 33.120 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 25.337 -49.363 32.225 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 26.564 -49.417 33.110 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 25.410 -45.994 22.573 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 25.169 -45.069 22.615 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 24.670 -46.453 22.969 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.925 -41.845 28.888 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.288 -40.990 28.655 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 26.457 -42.137 29.629 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 25.763 -43.705 16.110 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 26.002 -44.453 15.562 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 25.494 -44.093 16.942 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 21.153 -46.882 19.076 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 20.467 -46.530 19.643 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 21.676 -46.119 18.830 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 27.438 -42.437 19.315 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 26.621 -41.940 19.368 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 27.967 -41.962 18.675 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 27.801 -41.842 16.248 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 27.157 -42.473 16.570 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 28.563 -42.373 16.016 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.360 -46.115 16.339 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 23.424 -46.909 16.870 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.013 -46.234 15.650 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 25.674 -46.489 33.640 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 25.346 -46.218 32.782 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 25.826 -47.430 33.552 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 28.712 -45.068 16.075 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 28.444 -44.888 16.976 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 28.506 -45.994 15.944 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 19.851 -49.259 33.627 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 20.259 -50.116 33.506 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 19.591 -49.244 34.548 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 24.509 -48.143 18.645 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.050 -48.627 19.331 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 24.764 -48.811 18.009 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 23.798 -50.250 31.001 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 23.180 -49.575 31.282 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.142 -49.929 30.168 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 26.132 -49.086 29.816 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 26.883 -49.242 29.243 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 25.793 -48.234 29.540 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 19.046 -44.573 17.392 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.960 -44.494 17.665 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 19.053 -45.260 16.725 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 18.645 -48.024 26.725 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 18.829 -48.106 25.790 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 19.494 -48.148 27.149 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 18.243 -52.753 32.866 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 19.162 -52.875 33.102 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 17.793 -53.503 33.255 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 27.502 -40.897 32.587 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.687 -41.231 33.465 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 28.349 -40.588 32.265 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 27.771 -39.552 27.881 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 27.314 -39.023 27.227 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 27.934 -38.949 28.606 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 30.098 -40.674 28.826 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 29.194 -40.509 28.560 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 30.527 -39.821 28.760 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 28.123 -39.983 18.154 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 28.989 -39.617 17.976 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 27.876 -40.423 17.341 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 21.825 -44.463 45.417 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 21.455 -45.265 45.048 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.766 -44.632 45.464 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 19.145 -48.641 42.936 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 19.359 -49.411 43.463 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 19.883 -48.552 42.333 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 23.372 -47.699 42.157 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 23.042 -48.069 41.338 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 23.960 -48.369 42.503 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 24.739 -44.271 44.838 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 24.644 -44.849 44.081 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 25.468 -44.642 45.334 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 22.362 -48.629 39.746 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 22.070 -47.861 39.255 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 21.688 -49.289 39.583 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 18.206 -43.486 45.445 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 19.152 -43.630 45.426 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 18.093 -42.702 45.982 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 27.796 -39.474 39.809 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 27.721 -39.595 38.863 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 27.829 -38.524 39.928 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 21.608 -47.175 44.448 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 22.353 -47.177 43.847 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 21.686 -47.999 44.930 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 23.983 -43.657 41.853 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.510 -42.884 41.652 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 23.103 -43.432 41.551 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 19.738 -48.795 36.440 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 20.354 -48.168 36.819 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 18.876 -48.479 36.711 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 25.410 -45.994 41.429 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 25.169 -45.069 41.471 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 24.670 -46.453 41.825 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 19.901 -42.156 47.756 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 20.118 -43.088 47.725 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 20.148 -41.882 48.640 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.763 -43.705 34.966 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 26.002 -44.453 34.418 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 25.494 -44.093 35.798 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 24.700 -44.135 37.422 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 24.847 -44.655 38.212 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.697 -43.228 37.728 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 21.153 -46.882 37.932 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 20.467 -46.530 38.499 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 21.676 -46.119 37.686 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 27.438 -42.437 38.171 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.621 -41.940 38.224 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 27.967 -41.962 37.531 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.776 -41.394 38.153 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.937 -40.594 37.652 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 24.579 -41.087 39.038 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.085 -51.604 35.945 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.040 -50.665 36.124 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 19.197 -51.840 35.675 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 27.801 -41.842 35.104 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 27.157 -42.473 35.426 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.563 -42.373 34.872 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 23.360 -46.115 35.195 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.424 -46.909 35.726 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.013 -46.234 34.506 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 28.712 -45.068 34.931 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 28.444 -44.888 35.832 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.506 -45.994 34.800 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 24.509 -48.143 37.501 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 24.050 -48.627 38.187 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 24.764 -48.811 36.865 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 25.478 -39.209 36.765 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 26.411 -39.051 36.909 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 25.214 -38.534 36.140 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 18.645 -48.024 45.581 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 18.829 -48.106 44.646 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 19.494 -48.148 46.005 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 20.593 -39.040 48.531 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 19.873 -38.600 48.080 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 20.227 -39.291 49.380 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 23.060 -39.440 47.561 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 22.195 -39.368 47.965 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 23.005 -38.893 46.777 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 22.149 -41.707 44.097 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 21.930 -42.623 44.266 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 22.973 -41.567 44.563 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 24.686 -41.237 44.945 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 24.899 -42.125 44.658 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.751 -41.271 45.900 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 28.123 -39.983 37.010 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 28.989 -39.617 36.832 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 27.876 -40.423 36.197 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 19.112 -21.413 -4.459 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 19.652 -21.630 -3.700 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 18.631 -22.219 -4.649 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 20.593 -20.184 -8.037 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 19.873 -19.744 -8.488 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 20.227 -20.435 -7.188 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.901 -30.057 9.170 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 20.943 -30.683 9.894 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 21.604 -29.434 9.352 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 21.825 -25.607 7.705 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 21.455 -26.409 7.336 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 22.766 -25.776 7.752 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 19.838 -32.347 6.345 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 20.492 -32.897 6.777 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 19.862 -32.621 5.429 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.028 -35.826 9.657 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.809 -35.296 8.891 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 21.360 -35.599 10.305 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 24.597 -28.150 9.945 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 23.857 -27.552 10.048 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 25.311 -27.596 9.629 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 21.622 -33.934 7.610 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 22.235 -33.301 7.983 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 22.134 -34.406 6.953 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.005 -26.186 10.732 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 22.999 -25.307 10.354 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 22.151 -26.269 11.157 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 19.126 -26.515 1.514 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 18.854 -26.286 0.625 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 19.171 -25.677 1.974 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.619 -25.675 12.795 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 24.307 -24.893 13.251 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 23.969 -25.828 12.109 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 21.539 -29.477 12.024 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.609 -28.826 12.722 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 20.648 -29.374 11.689 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 18.455 -27.410 10.849 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 17.954 -27.438 10.034 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 18.461 -28.316 11.159 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 18.206 -24.630 7.733 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 19.152 -24.774 7.714 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 18.093 -23.846 8.270 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 27.382 -24.390 12.291 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 27.469 -23.564 12.766 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 26.518 -24.720 12.540 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 21.450 -21.829 3.878 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 21.602 -22.177 4.757 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 20.599 -22.185 3.623 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 21.164 -32.331 10.850 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 21.126 -31.931 11.718 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.673 -33.148 10.940 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 18.616 -29.858 12.051 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 18.839 -30.276 12.883 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 18.014 -30.471 11.629 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 25.633 -30.341 14.264 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 25.337 -30.507 13.369 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 26.564 -30.561 14.254 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 24.094 -22.116 3.262 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.144 -22.011 3.314 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.445 -21.296 3.607 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 20.250 -35.105 11.609 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 19.357 -34.766 11.542 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 20.151 -35.960 12.027 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.901 -23.300 10.044 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 20.118 -24.232 10.013 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.148 -23.026 10.928 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 19.823 -24.026 3.067 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 18.991 -23.553 3.094 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 20.369 -23.516 2.468 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 25.674 -27.633 14.784 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 25.346 -27.362 13.926 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 25.826 -28.574 14.696 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 23.798 -31.394 12.145 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 23.180 -30.719 12.426 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 24.142 -31.073 11.312 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 24.138 -34.039 13.228 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 24.288 -34.768 12.625 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 24.140 -33.262 12.669 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 24.550 -35.669 10.720 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 25.086 -35.218 10.068 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 23.698 -35.777 10.298 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 22.616 -32.841 15.139 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 21.849 -33.373 14.929 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 23.295 -33.151 14.540 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.356 -38.213 11.152 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 25.258 -37.266 11.046 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.613 -38.585 10.676 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 26.620 -33.891 14.715 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 26.384 -34.111 15.617 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 25.837 -34.098 14.206 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 25.578 -38.919 13.823 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 26.290 -39.559 13.809 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.477 -38.652 12.909 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 25.931 -37.236 15.877 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 25.800 -37.712 15.056 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 25.332 -36.492 15.821 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 19.046 -25.717 -1.464 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 19.960 -25.638 -1.191 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 19.053 -26.404 -2.131 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 18.565 -22.243 5.418 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.231 -23.124 5.590 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 18.787 -21.898 6.282 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 18.645 -29.168 7.869 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 18.829 -29.250 6.934 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 19.494 -29.292 8.293 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 19.464 -35.585 6.901 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 19.909 -36.377 7.203 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 19.930 -34.869 7.332 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 17.768 -32.586 7.970 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.260 -32.807 7.180 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.130 -31.745 8.251 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 18.045 -37.590 10.369 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 17.380 -37.836 11.012 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 17.602 -36.968 9.792 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 23.191 -23.440 10.772 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 22.766 -22.631 10.489 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 24.096 -23.355 10.470 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 27.502 -22.041 13.731 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 27.687 -22.375 14.609 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.349 -21.732 13.409 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 20.593 -20.184 10.819 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 19.873 -19.744 10.368 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 20.227 -20.435 11.668 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 23.060 -20.584 9.849 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 22.195 -20.512 10.253 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 23.005 -20.037 9.065 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.008 -21.561 7.730 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 19.989 -21.986 8.587 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.813 -21.879 7.321 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 22.149 -22.851 6.385 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 21.930 -23.767 6.554 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 22.973 -22.711 6.851 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 24.686 -22.381 7.233 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 24.899 -23.269 6.946 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 24.751 -22.415 8.188 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 19.259 -22.337 0.901 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 18.574 -22.375 0.233 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.262 -21.424 1.189 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 21.077 -21.417 -2.074 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.809 -21.130 -1.201 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.848 -21.963 -1.922 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 29.600 -28.927 23.014 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 29.689 -27.983 22.882 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 28.961 -29.202 22.356 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 28.533 -29.672 26.433 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 28.495 -30.318 27.138 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 28.210 -30.138 25.662 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 29.350 -21.628 24.947 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 29.970 -22.305 24.674 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 29.142 -21.846 25.855 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 26.922 -27.239 26.839 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 27.226 -27.925 26.245 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 27.644 -27.121 27.457 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 29.397 -26.326 22.057 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 29.101 -26.648 21.206 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 29.073 -25.426 22.099 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 31.003 -23.112 23.708 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 31.428 -23.819 23.223 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 31.320 -22.311 23.291 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 28.321 -29.683 20.466 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 27.609 -29.148 20.115 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 29.012 -29.627 19.806 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 24.739 -25.415 25.982 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 24.644 -25.993 25.225 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 25.468 -25.786 26.478 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 24.619 -25.675 31.651 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 24.307 -24.893 32.107 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.969 -25.828 30.965 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 28.324 -23.574 22.538 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 28.798 -23.279 23.316 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 27.761 -22.836 22.305 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 22.858 -23.603 32.415 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 22.866 -23.739 31.467 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 21.942 -23.721 32.667 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 30.898 -21.464 17.956 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 31.273 -22.208 17.485 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 30.902 -21.734 18.874 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 30.567 -21.538 20.705 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 29.632 -21.438 20.884 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 30.847 -22.247 21.283 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 27.986 -37.895 30.118 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 28.406 -38.310 30.871 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 27.053 -38.073 30.235 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 27.648 -35.402 17.403 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 27.394 -35.383 18.326 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 27.391 -36.274 17.102 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.947 -32.014 21.568 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.538 -31.199 21.276 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 29.667 -32.154 20.953 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 28.049 -31.839 33.056 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.486 -32.543 33.376 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.875 -31.959 33.523 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 24.530 -34.957 16.504 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 24.099 -35.402 17.234 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.812 -34.585 15.992 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 21.283 -27.622 32.986 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.016 -27.368 33.547 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 20.503 -27.418 33.501 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 27.313 -32.215 25.724 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 27.877 -32.762 25.177 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 27.165 -32.737 26.513 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 25.939 -33.827 28.138 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 25.104 -33.373 28.248 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.463 -33.551 28.890 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.483 -27.614 19.823 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 25.739 -28.121 19.500 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 26.349 -27.565 20.769 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 28.003 -27.430 31.060 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 27.657 -27.811 31.866 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.803 -26.496 31.131 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 28.609 -26.155 18.848 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 28.314 -25.329 19.230 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 27.906 -26.775 19.044 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 25.633 -30.341 33.120 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 25.337 -30.507 32.225 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 26.564 -30.561 33.110 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 25.925 -22.989 28.888 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 26.288 -22.134 28.655 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 26.457 -23.281 29.629 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 25.763 -24.849 16.110 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 26.002 -25.597 15.562 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 25.494 -25.237 16.942 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 29.769 -35.712 20.452 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 29.989 -35.240 19.649 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 30.327 -35.317 21.123 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 26.969 -33.984 21.287 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.781 -33.480 21.333 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.724 -34.129 22.201 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 27.505 -32.998 30.472 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 27.624 -32.424 31.229 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 28.160 -33.686 30.587 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 27.853 -36.903 22.225 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 27.506 -36.285 22.870 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 28.511 -36.402 21.744 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.709 -22.494 34.873 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.477 -22.953 35.214 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.688 -22.720 33.943 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 27.801 -22.986 16.248 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 27.157 -23.617 16.570 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 28.563 -23.517 16.016 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 25.674 -27.633 33.640 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 25.346 -27.362 32.782 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.826 -28.574 33.552 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 28.712 -26.212 16.075 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 28.444 -26.032 16.976 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 28.506 -27.138 15.944 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 24.509 -29.287 18.645 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 24.050 -29.771 19.331 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 24.764 -29.955 18.009 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.580 -31.044 16.908 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 25.400 -31.198 15.980 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 26.531 -30.936 16.952 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 24.550 -35.669 29.576 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 25.086 -35.218 28.924 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.698 -35.777 29.154 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 26.132 -30.230 29.816 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 26.883 -30.386 29.243 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 25.793 -29.378 29.540 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 25.356 -38.213 30.008 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 25.258 -37.266 29.902 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 24.613 -38.585 29.532 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 26.620 -33.891 33.571 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.384 -34.111 34.473 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 25.837 -34.098 33.062 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 25.578 -38.919 32.679 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 26.290 -39.559 32.665 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.477 -38.652 31.765 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 25.931 -37.236 34.733 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.800 -37.712 33.912 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 25.332 -36.492 34.677 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 20.237 -24.415 33.369 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 19.416 -24.240 32.909 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 19.985 -24.488 34.290 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 23.191 -23.440 29.628 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 22.766 -22.631 29.345 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 24.096 -23.355 29.326 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 27.771 -20.696 27.881 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 27.314 -20.167 27.227 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 27.934 -20.093 28.606 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 24.686 -22.381 26.089 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.899 -23.269 25.802 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 24.751 -22.415 27.044 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 28.195 -36.717 25.234 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 27.520 -37.346 25.489 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 28.759 -37.201 24.631 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 30.658 -38.126 24.518 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 30.734 -38.031 23.569 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 30.382 -39.034 24.647 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 26.245 -36.076 19.759 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 26.423 -36.722 20.442 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 26.191 -35.242 20.226 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 28.123 -21.127 18.154 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 28.989 -20.761 17.976 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 27.876 -21.567 17.341 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 20.901 -30.057 46.882 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 20.943 -30.683 47.606 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.604 -29.434 47.064 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 19.145 -29.785 42.936 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 19.359 -30.555 43.463 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 19.883 -29.696 42.333 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 24.994 -30.797 43.273 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 25.610 -31.323 43.782 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.408 -31.437 42.869 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 19.126 -26.515 39.226 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 18.854 -26.286 38.337 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 19.171 -25.677 39.686 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 26.054 -38.520 44.822 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.937 -39.469 44.768 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 25.199 -38.188 45.095 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 23.372 -28.843 42.157 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 23.042 -29.213 41.338 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.960 -29.513 42.503 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 23.739 -30.074 45.790 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 24.304 -29.953 45.027 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 24.058 -29.437 46.429 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.539 -29.477 49.736 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 21.609 -28.826 50.434 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 20.648 -29.374 49.401 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 22.362 -29.773 39.746 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 22.070 -29.005 39.255 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 21.688 -30.433 39.583 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 18.455 -27.410 48.561 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 17.954 -27.438 47.746 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 18.461 -28.316 48.871 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.450 -21.829 41.590 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 21.602 -22.177 42.469 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 20.599 -22.185 41.335 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 27.648 -35.402 36.259 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.394 -35.383 37.182 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 27.391 -36.274 35.958 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.414 -32.651 46.695 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 22.772 -32.692 47.404 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 23.451 -31.725 46.457 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 23.411 -32.430 41.607 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 22.518 -32.771 41.548 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 23.862 -32.807 40.851 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.530 -34.957 35.360 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 24.099 -35.402 36.090 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 23.812 -34.585 34.848 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.993 -35.003 42.693 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 25.082 -34.946 42.982 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 26.498 -35.063 43.504 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.474 -33.374 39.176 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 25.406 -33.245 39.354 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.259 -32.704 38.527 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 23.148 -32.179 36.743 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 22.606 -32.559 36.052 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 23.982 -31.985 36.314 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 27.313 -32.215 44.580 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 27.877 -32.762 44.033 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 27.165 -32.737 45.369 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.939 -33.827 46.994 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 25.104 -33.373 47.104 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 26.463 -33.551 47.746 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 21.608 -28.319 44.448 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 22.353 -28.321 43.847 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 21.686 -29.143 44.930 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 18.616 -29.858 49.763 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 18.839 -30.276 50.595 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 18.014 -30.471 49.341 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 21.153 -28.026 37.932 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 20.467 -27.674 38.499 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 21.676 -27.263 37.686 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 26.969 -33.984 40.143 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 27.781 -33.480 40.189 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 26.724 -34.129 41.057 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 27.853 -36.903 41.081 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 27.506 -36.285 41.726 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 28.511 -36.402 40.600 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 23.510 -35.840 37.769 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 23.427 -34.951 38.115 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 24.400 -36.105 38.000 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 21.769 -25.412 36.829 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 22.361 -24.713 37.105 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 22.228 -25.845 36.110 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 19.823 -24.026 40.779 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 18.991 -23.553 40.806 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.369 -23.516 40.180 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 23.360 -27.259 35.195 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 23.424 -28.053 35.726 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 24.013 -27.378 34.506 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 19.851 -30.403 52.483 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 20.259 -31.260 52.362 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 19.591 -30.388 53.404 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 24.509 -29.287 37.501 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 24.050 -29.771 38.187 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 24.764 -29.955 36.865 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 23.798 -31.394 49.857 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 23.180 -30.719 50.138 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 24.142 -31.073 49.024 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 25.580 -31.044 35.764 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 25.400 -31.198 34.836 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 26.531 -30.936 35.808 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 24.138 -34.039 50.940 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 24.288 -34.768 50.337 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 24.140 -33.262 50.381 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 24.550 -35.669 48.432 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 25.086 -35.218 47.780 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 23.698 -35.777 48.010 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 22.616 -32.841 52.851 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 21.849 -33.373 52.641 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 23.295 -33.151 52.252 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.356 -38.213 48.864 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 25.258 -37.266 48.758 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 24.613 -38.585 48.388 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 20.797 -34.920 52.556 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 21.008 -35.627 51.945 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.685 -35.358 53.400 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 25.478 -20.353 36.765 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 26.411 -20.195 36.909 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 25.214 -19.678 36.140 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 19.046 -25.717 36.248 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 19.960 -25.638 36.521 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 19.053 -26.404 35.581 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 17.695 -20.324 41.325 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 17.048 -20.786 40.792 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 18.050 -20.996 41.908 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 18.565 -22.243 43.130 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 18.231 -23.124 43.302 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 18.787 -21.898 43.994 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 18.645 -29.168 45.581 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 18.829 -29.250 44.646 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 19.494 -29.292 46.005 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 18.243 -33.897 51.722 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 19.162 -34.019 51.958 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 17.793 -34.647 52.111 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 18.045 -37.590 48.081 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 17.380 -37.836 48.724 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 17.602 -36.968 47.504 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 28.195 -36.717 44.090 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 27.520 -37.346 44.345 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 28.759 -37.201 43.487 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 25.101 -38.156 41.725 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 25.975 -37.768 41.695 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 24.965 -38.371 42.648 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 19.259 -22.337 38.613 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 18.574 -22.375 37.945 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 19.262 -21.424 38.901 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 26.245 -36.076 38.615 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 26.423 -36.722 39.298 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 26.191 -35.242 39.082 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.479 -37.569 51.429 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.113 -38.334 51.872 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 21.392 -37.540 51.716 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 21.077 -21.417 35.638 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 20.809 -21.130 36.511 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 21.848 -21.963 35.790 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.901 -11.201 -9.686 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 20.943 -11.827 -8.962 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.604 -10.578 -9.504 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 21.825 -6.751 -11.151 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 21.455 -7.553 -11.520 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 22.766 -6.920 -11.104 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 18.435 -13.091 -15.758 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 17.987 -12.245 -15.776 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 17.874 -13.671 -16.273 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.145 -10.929 -13.632 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 19.359 -11.699 -13.105 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.883 -10.840 -14.235 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 19.838 -13.491 -12.511 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 20.492 -14.041 -12.079 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 19.862 -13.765 -13.427 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 22.028 -16.970 -9.199 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 21.809 -16.440 -9.965 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.360 -16.743 -8.551 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 21.622 -15.078 -11.246 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 22.235 -14.445 -10.873 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 22.134 -15.550 -11.903 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 21.539 -10.621 -6.832 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 21.609 -9.970 -6.134 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 20.648 -10.518 -7.167 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 18.206 -5.774 -11.123 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 19.152 -5.918 -11.142 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 18.093 -4.990 -10.586 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 20.704 -7.231 -6.964 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 20.921 -7.592 -6.104 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 19.849 -7.605 -7.174 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 23.414 -13.795 -9.873 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 22.772 -13.836 -9.164 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 23.451 -12.869 -10.111 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.164 -13.475 -8.006 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 21.126 -13.075 -7.138 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 20.673 -14.292 -7.916 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 17.772 -16.359 -14.156 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 18.403 -16.388 -13.436 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 18.222 -16.784 -14.886 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 21.283 -8.766 -4.726 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 22.016 -8.512 -4.165 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 20.503 -8.562 -4.211 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 21.608 -9.463 -12.120 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 22.353 -9.465 -12.721 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.686 -10.287 -11.638 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 25.633 -11.485 -4.592 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 25.337 -11.651 -5.487 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 26.564 -11.705 -4.602 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.250 -16.249 -7.247 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 19.357 -15.910 -7.314 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.151 -17.104 -6.829 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 19.901 -4.444 -8.812 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 20.118 -5.376 -8.843 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 20.148 -4.170 -7.928 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 19.112 -2.557 -4.459 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 19.652 -2.774 -3.700 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 18.631 -3.363 -4.649 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 19.019 -8.747 -3.505 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 19.163 -9.649 -3.791 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 18.246 -8.461 -3.993 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 23.798 -12.538 -6.711 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 23.180 -11.863 -6.430 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 24.142 -12.217 -7.544 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 24.138 -15.183 -5.628 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 24.288 -15.912 -6.231 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 24.140 -14.406 -6.187 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 22.616 -13.985 -3.717 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.849 -14.517 -3.927 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 23.295 -14.295 -4.316 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 20.797 -16.064 -4.012 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 21.008 -16.771 -4.623 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 20.685 -16.502 -3.168 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 18.645 -10.312 -10.987 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 18.829 -10.394 -11.922 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 19.494 -10.436 -10.563 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 19.464 -16.729 -11.955 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 19.909 -17.521 -11.653 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 19.930 -16.013 -11.524 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 18.045 -18.734 -8.487 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 17.380 -18.980 -7.844 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 17.602 -18.112 -9.064 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 20.237 -5.559 -4.343 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 19.416 -5.384 -4.803 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 19.985 -5.632 -3.422 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 20.479 -18.713 -5.139 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 20.113 -19.478 -4.696 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 21.392 -18.684 -4.852 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 22.452 -19.362 -3.603 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.351 -19.636 -3.788 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 22.066 -20.105 -3.139 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.901 -11.201 9.170 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.943 -11.827 9.894 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.604 -10.578 9.352 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 19.145 -10.929 5.224 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 19.359 -11.699 5.751 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 19.883 -10.840 4.621 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 24.994 -11.941 5.561 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 25.610 -12.467 6.070 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 24.408 -12.581 5.157 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 19.126 -7.659 1.514 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 18.854 -7.430 0.625 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 19.171 -6.821 1.974 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 26.054 -19.664 7.110 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 25.937 -20.613 7.056 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 25.199 -19.332 7.383 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 23.372 -9.987 4.445 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.042 -10.357 3.626 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.960 -10.657 4.791 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 23.739 -11.218 8.078 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.304 -11.097 7.315 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 24.058 -10.581 8.717 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.539 -10.621 12.024 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 21.609 -9.970 12.722 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 20.648 -10.518 11.689 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 18.455 -8.554 10.849 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 17.954 -8.582 10.034 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 18.461 -9.460 11.159 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 18.206 -5.774 7.733 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 19.152 -5.918 7.714 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 18.093 -4.990 8.270 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 23.414 -13.795 8.983 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 22.772 -13.836 9.692 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 23.451 -12.869 8.745 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 23.411 -13.574 3.895 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 22.518 -13.915 3.836 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 23.862 -13.951 3.139 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 28.049 -12.983 14.200 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 27.486 -13.687 14.520 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 28.875 -13.103 14.667 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 21.164 -13.475 10.850 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 21.126 -13.075 11.718 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 20.673 -14.292 10.940 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 24.530 -16.101 -2.352 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 24.099 -16.546 -1.622 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 23.812 -15.729 -2.864 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 25.993 -16.147 4.981 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 25.082 -16.090 5.270 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 26.498 -16.207 5.792 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 24.474 -14.518 1.464 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 25.406 -14.389 1.642 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.259 -13.848 0.815 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 21.283 -8.766 14.130 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 22.016 -8.512 14.691 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 20.503 -8.562 14.645 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 27.313 -13.359 6.868 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 27.877 -13.906 6.321 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 27.165 -13.881 7.657 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 25.939 -14.971 9.282 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 25.104 -14.517 9.392 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 26.463 -14.695 10.034 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 21.608 -9.463 6.736 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 22.353 -9.465 6.135 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 21.686 -10.287 7.218 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 18.616 -11.002 12.051 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 18.839 -11.420 12.883 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 18.014 -11.615 11.629 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 25.633 -11.485 14.264 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 25.337 -11.651 13.369 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 26.564 -11.705 14.254 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.250 -16.249 11.609 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 19.357 -15.910 11.542 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.151 -17.104 12.027 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 21.153 -9.170 0.220 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 20.467 -8.818 0.787 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.676 -8.407 -0.026 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.969 -15.128 2.431 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 27.781 -14.624 2.477 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.724 -15.273 3.345 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 27.853 -18.047 3.369 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 27.506 -17.429 4.014 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 28.511 -17.546 2.888 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 23.510 -16.984 0.057 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 23.427 -16.095 0.403 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.400 -17.249 0.288 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.769 -6.556 -0.883 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.361 -5.857 -0.607 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 22.228 -6.989 -1.602 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 19.019 -8.747 15.351 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 19.163 -9.649 15.065 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 18.246 -8.461 14.863 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 23.360 -8.403 -2.517 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 23.424 -9.197 -1.986 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 24.013 -8.522 -3.206 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 19.851 -11.547 14.771 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 20.259 -12.404 14.650 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 19.591 -11.532 15.692 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 24.509 -10.431 -0.211 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 24.050 -10.915 0.475 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 24.764 -11.099 -0.847 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 23.798 -12.538 12.145 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 23.180 -11.863 12.426 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 24.142 -12.217 11.312 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 25.580 -12.188 -1.948 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 25.400 -12.342 -2.876 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 26.531 -12.080 -1.904 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 24.138 -15.183 13.228 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 24.288 -15.912 12.625 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 24.140 -14.406 12.669 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 24.550 -16.813 10.720 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 25.086 -16.362 10.068 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 23.698 -16.921 10.298 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 30.548 -13.559 15.988 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 30.740 -14.490 15.877 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 31.405 -13.134 15.978 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 22.616 -13.985 15.139 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 21.849 -14.517 14.929 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 23.295 -14.295 14.540 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 25.356 -19.357 11.152 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 25.258 -18.410 11.046 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 24.613 -19.729 10.676 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 26.620 -15.035 14.715 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 26.384 -15.255 15.617 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 25.837 -15.242 14.206 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 30.970 -17.274 15.796 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 30.873 -18.226 15.790 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 30.648 -17.005 16.657 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 25.578 -20.063 13.823 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 26.290 -20.703 13.809 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 25.477 -19.796 12.909 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 19.046 -6.861 -1.464 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 19.960 -6.782 -1.191 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 19.053 -7.548 -2.131 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.645 -10.312 7.869 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 18.829 -10.394 6.934 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.494 -10.436 8.293 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 28.195 -17.861 6.378 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 27.520 -18.490 6.633 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 28.759 -18.345 5.775 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.101 -19.300 4.013 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 25.975 -18.912 3.983 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.965 -19.515 4.936 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 19.259 -3.481 0.901 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 18.574 -3.519 0.233 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.262 -2.568 1.189 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 26.245 -17.220 0.903 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 26.423 -17.866 1.586 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 26.191 -16.386 1.370 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 20.479 -18.713 13.717 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 20.113 -19.478 14.160 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 21.392 -18.684 14.004 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 22.452 -19.362 15.253 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 23.351 -19.636 15.068 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 22.066 -20.105 15.717 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 30.874 -20.030 15.435 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 30.950 -20.456 16.289 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 31.767 -20.016 15.093 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 29.600 -10.071 23.014 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 29.689 -9.127 22.882 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 28.961 -10.346 22.356 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 32.239 -7.877 24.735 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 31.798 -8.597 25.185 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 32.226 -7.156 25.365 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 21.825 -6.751 26.561 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 21.455 -7.553 26.192 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 22.766 -6.920 26.608 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 26.922 -8.383 26.839 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 27.226 -9.069 26.245 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 27.644 -8.265 27.457 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 30.063 -13.989 27.167 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 30.206 -14.936 27.187 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 29.957 -13.782 26.238 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 30.940 -15.757 22.840 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 31.586 -16.086 23.465 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 31.450 -15.239 22.217 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 29.397 -7.470 22.057 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 29.101 -7.792 21.206 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 29.073 -6.570 22.099 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 23.005 -7.330 29.588 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.999 -6.451 29.210 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.151 -7.413 30.013 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 19.126 -7.659 20.370 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 18.854 -7.430 19.481 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 19.171 -6.821 20.830 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 26.054 -19.664 25.966 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.937 -20.613 25.912 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.199 -19.332 26.239 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 28.321 -10.827 20.466 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 27.609 -10.292 20.115 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 29.012 -10.771 19.806 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 28.375 -12.369 17.505 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 29.076 -12.347 18.156 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 28.677 -12.997 16.849 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 31.727 -10.617 21.418 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 30.995 -10.389 21.991 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 32.174 -11.331 21.873 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 31.624 -12.443 30.486 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 31.704 -11.680 31.058 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 31.023 -12.164 29.795 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 24.739 -6.559 25.982 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 24.644 -7.137 25.225 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.468 -6.930 26.478 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 24.619 -6.819 31.651 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 24.307 -6.037 32.107 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 23.969 -6.972 30.965 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 30.598 -11.455 19.103 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 31.177 -11.305 19.850 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 31.012 -10.984 18.380 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.324 -4.718 22.538 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.798 -4.423 23.316 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 27.761 -3.980 22.305 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.858 -4.747 32.415 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.866 -4.883 31.467 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 21.942 -4.865 32.667 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 18.206 -5.774 26.589 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 19.152 -5.918 26.570 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 18.093 -4.990 27.126 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 27.382 -5.534 31.147 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 27.469 -4.708 31.622 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 26.518 -5.864 31.396 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 21.450 -2.973 22.734 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 21.602 -3.321 23.613 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 20.599 -3.329 22.479 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 23.323 -18.761 26.744 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 22.462 -18.848 26.336 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 23.301 -17.905 27.171 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 27.986 -19.039 30.118 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.406 -19.454 30.871 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 27.053 -19.217 30.235 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 31.312 -15.283 30.972 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 30.798 -15.409 31.769 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 31.157 -14.371 30.727 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 27.648 -16.546 17.403 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 27.394 -16.527 18.326 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 27.391 -17.418 17.102 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 28.947 -13.158 21.568 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 28.538 -12.343 21.276 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 29.667 -13.298 20.953 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 29.951 -13.712 24.382 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 29.756 -13.107 23.667 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 30.133 -14.546 23.947 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 24.530 -16.101 16.504 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 24.099 -16.546 17.234 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.812 -15.729 15.992 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 29.215 -12.074 29.053 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 29.539 -12.705 28.410 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 28.775 -12.609 29.714 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 30.398 -16.912 27.101 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 29.721 -16.781 27.765 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 29.912 -17.067 26.291 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 23.148 -13.323 17.887 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 22.606 -13.703 17.196 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 23.982 -13.129 17.458 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 26.483 -8.758 19.823 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 25.739 -9.265 19.500 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 26.349 -8.709 20.769 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 30.381 -15.944 18.022 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 29.443 -15.832 17.871 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 30.678 -15.087 18.328 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 28.003 -8.574 31.060 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 27.657 -8.955 31.866 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 27.803 -7.640 31.131 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 31.099 -14.077 19.683 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 31.991 -14.214 20.002 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 31.156 -13.286 19.146 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 28.609 -7.299 18.848 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 28.314 -6.473 19.230 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 27.906 -7.919 19.044 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 30.253 -6.112 31.010 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 29.352 -5.929 30.742 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 30.287 -5.853 31.931 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 31.440 -10.273 26.864 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 30.512 -10.505 26.837 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 31.891 -11.050 26.534 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 23.983 -5.945 22.997 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 24.510 -5.172 22.796 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 23.103 -5.720 22.695 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 24.094 -3.260 22.118 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 23.144 -3.155 22.170 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 24.445 -2.440 22.463 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 29.469 -8.034 28.589 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 29.043 -8.261 29.415 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 30.050 -8.772 28.406 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.901 -4.444 28.900 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 20.118 -5.376 28.869 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 20.148 -4.170 29.784 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 24.700 -6.423 18.566 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 24.847 -6.943 19.356 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 24.697 -5.516 18.872 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 28.985 -16.508 29.355 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 29.683 -16.434 30.005 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 28.604 -17.372 29.510 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 29.769 -16.856 20.452 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 29.989 -16.384 19.649 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 30.327 -16.461 21.123 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 27.505 -14.142 30.472 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 27.624 -13.568 31.229 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 28.160 -14.830 30.587 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 32.311 -12.484 25.403 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 31.514 -12.899 25.074 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 32.756 -13.175 25.894 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 21.769 -6.556 17.973 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 22.361 -5.857 18.249 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 22.228 -6.989 17.254 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 19.823 -5.170 21.923 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 18.991 -4.697 21.950 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 20.369 -4.660 21.324 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 23.709 -3.638 34.873 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 24.477 -4.097 35.214 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 23.688 -3.864 33.943 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 30.286 -5.258 33.602 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 29.935 -6.114 33.845 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 31.012 -5.115 34.209 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 19.019 -8.747 34.207 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.163 -9.649 33.921 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 18.246 -8.461 33.719 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 23.360 -8.403 16.339 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 23.424 -9.197 16.870 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.013 -8.522 15.650 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 31.409 -8.861 31.023 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 32.154 -8.273 30.903 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 30.652 -8.279 31.086 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 24.509 -10.431 18.645 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 24.050 -10.915 19.331 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 24.764 -11.099 18.009 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 25.580 -12.188 16.908 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 25.400 -12.342 15.980 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 26.531 -12.080 16.952 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 24.550 -16.813 29.576 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 25.086 -16.362 28.924 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 23.698 -16.921 29.154 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 30.548 -13.559 34.844 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 30.740 -14.490 34.733 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 31.405 -13.134 34.834 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 31.864 -10.770 32.922 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 31.583 -10.061 32.344 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 32.807 -10.843 32.771 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 25.356 -19.357 30.008 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 25.258 -18.410 29.902 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 24.613 -19.729 29.532 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 29.336 -15.908 32.647 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 28.388 -15.876 32.779 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 29.648 -16.533 33.301 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 25.578 -20.063 32.679 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 26.290 -20.703 32.665 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 25.477 -19.796 31.765 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 25.931 -18.380 34.733 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 25.800 -18.856 33.912 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 25.332 -17.636 34.677 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 19.046 -6.861 17.392 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 19.960 -6.782 17.665 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 19.053 -7.548 16.725 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 18.565 -3.387 24.274 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 18.231 -4.268 24.446 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 18.787 -3.042 25.138 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 33.610 -12.390 22.715 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 33.460 -13.335 22.695 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 33.256 -12.109 23.559 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 20.237 -5.559 33.369 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 19.416 -5.384 32.909 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 19.985 -5.632 34.290 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 23.191 -4.584 29.628 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 22.766 -3.775 29.345 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 24.096 -4.499 29.326 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 22.149 -3.995 25.241 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 21.930 -4.911 25.410 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 22.973 -3.855 25.707 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 28.195 -17.861 25.234 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 27.520 -18.490 25.489 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 28.759 -18.345 24.631 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 30.658 -19.270 24.518 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 30.734 -19.175 23.569 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 30.382 -20.178 24.647 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 32.011 -19.244 20.211 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 31.308 -18.630 20.001 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 31.566 -20.082 20.342 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 19.259 -3.481 19.757 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 18.574 -3.519 19.089 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 19.262 -2.568 20.045 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 22.452 -19.362 34.109 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 23.351 -19.636 33.924 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 22.066 -20.105 34.573 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 28.321 -10.827 39.322 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 27.609 -10.292 38.971 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 29.012 -10.771 38.662 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 28.375 -12.369 36.361 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 29.076 -12.347 37.012 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 28.677 -12.997 35.705 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 30.598 -11.455 37.959 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 31.177 -11.305 38.706 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 31.012 -10.984 37.236 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 22.362 -10.917 39.746 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 22.070 -10.149 39.255 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 21.688 -11.577 39.583 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 32.075 -10.422 35.589 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 32.117 -10.645 34.659 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 32.924 -10.024 35.779 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 27.648 -16.546 36.259 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 27.394 -16.527 37.182 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 27.391 -17.418 35.958 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 28.947 -13.158 40.424 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 28.538 -12.343 40.132 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 29.667 -13.298 39.809 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 24.530 -16.101 35.360 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 24.099 -16.546 36.090 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 23.812 -15.729 34.848 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 17.772 -16.359 42.412 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 18.403 -16.388 43.132 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 18.222 -16.784 41.682 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 19.047 -15.613 37.836 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 19.521 -15.022 37.251 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 18.329 -15.082 38.183 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 24.474 -14.518 39.176 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 25.406 -14.389 39.354 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 24.259 -13.848 38.527 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 23.148 -13.323 36.743 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 22.606 -13.703 36.052 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 23.982 -13.129 36.314 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 22.315 -17.223 40.998 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 21.998 -18.125 40.963 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 23.096 -17.221 40.446 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 26.483 -8.758 38.679 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 25.739 -9.265 38.356 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 26.349 -8.709 39.625 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 30.381 -15.944 36.878 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 29.443 -15.832 36.727 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 30.678 -15.087 37.184 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 28.609 -7.299 37.704 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 28.314 -6.473 38.086 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 27.906 -7.919 37.900 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 19.738 -11.083 36.440 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 20.354 -10.456 36.819 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 18.876 -10.767 36.711 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 25.410 -8.282 41.429 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 25.169 -7.357 41.471 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 24.670 -8.741 41.825 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 31.672 -7.105 36.519 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 32.025 -7.485 37.323 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 30.723 -7.198 36.605 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 25.763 -5.993 34.966 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 26.002 -6.741 34.418 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 25.494 -6.381 35.798 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 24.700 -6.423 37.422 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 24.847 -6.943 38.212 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 24.697 -5.516 37.728 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 21.153 -9.170 37.932 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 20.467 -8.818 38.499 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 21.676 -8.407 37.686 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 27.438 -4.725 38.171 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 26.621 -4.228 38.224 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 27.967 -4.250 37.531 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 26.969 -15.128 40.143 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 27.781 -14.624 40.189 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 26.724 -15.273 41.057 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 23.510 -16.984 37.769 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 23.427 -16.095 38.115 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 24.400 -17.249 38.000 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 21.769 -6.556 36.829 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 22.361 -5.857 37.105 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 22.228 -6.989 36.110 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 20.085 -13.892 35.945 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 20.040 -12.953 36.124 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 19.197 -14.128 35.675 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 27.801 -4.130 35.104 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 27.157 -4.761 35.426 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 28.563 -4.661 34.872 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 28.712 -7.356 34.931 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 28.444 -7.176 35.832 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 28.506 -8.282 34.800 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 19.046 -6.861 36.248 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 19.960 -6.782 36.521 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 19.053 -7.548 35.581 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 18.081 -17.472 39.737 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 17.156 -17.263 39.607 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 18.535 -16.988 39.047 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 20.521 -19.227 41.912 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 19.744 -19.461 41.404 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 21.052 -20.024 41.920 0.00 0.00 WAT1 END