REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.966 -1.129 -7.266 1.00 23.31 ATOM 2 CB MET 1 5.948 -1.695 -6.695 1.00 65.34 ATOM 3 HB1 MET 1 6.137 -2.139 -7.662 1.00 38.50 ATOM 4 HB2 MET 1 5.610 -2.468 -6.016 1.00 0.01 ATOM 5 CG MET 1 7.256 -1.123 -6.172 1.00 60.41 ATOM 6 HG1 MET 1 7.074 -0.613 -5.239 1.00 38.50 ATOM 7 HG2 MET 1 7.641 -0.418 -6.892 1.00 53.53 ATOM 8 SD MET 1 8.500 -2.394 -5.875 1.00 63.00 ATOM 9 CE MET 1 9.364 -2.395 -7.444 1.00 63.30 ATOM 10 HE1 MET 1 10.159 -3.126 -7.417 1.00 74.22 ATOM 11 HE2 MET 1 9.782 -1.416 -7.626 1.00 12.32 ATOM 12 HE3 MET 1 8.673 -2.644 -8.236 1.00 31.55 ATOM 13 C MET 1 4.484 -0.071 -5.481 1.00 54.01 ATOM 14 O MET 1 5.155 0.833 -4.985 1.00 30.53 ATOM 15 N MET 1 5.259 0.402 -7.765 1.00 20.15 ATOM 16 HT1 MET 1 6.042 0.964 -7.367 1.00 38.50 ATOM 17 HT2 MET 1 4.460 1.042 -7.956 1.00 38.50 ATOM 18 HT3 MET 1 5.570 -0.007 -8.673 1.00 38.50 ATOM 19 CA MET 1 4.841 -0.651 -6.846 1.00 51.20 ATOM 20 N GLY 2 3.421 -0.597 -4.879 1.00 60.01 ATOM 21 HN GLY 2 2.914 -1.319 -5.316 1.00 38.50 ATOM 22 CA GLY 2 2.993 -0.119 -3.577 1.00 43.45 ATOM 23 HA1 GLY 2 1.918 -0.014 -3.593 1.00 38.50 ATOM 24 HA2 GLY 2 3.426 0.851 -3.363 1.00 11.31 ATOM 25 C GLY 2 3.360 -1.074 -2.459 1.00 72.34 ATOM 26 O GLY 2 4.149 -1.999 -2.657 1.00 11.23 ATOM 27 N HIS 3 2.787 -0.851 -1.281 1.00 21.13 ATOM 28 HN HIS 3 2.167 -0.093 -1.174 1.00 38.50 ATOM 29 CA HIS 3 3.059 -1.699 -0.126 1.00 20.52 ATOM 30 HA HIS 3 3.653 -2.550 -0.445 1.00 44.41 ATOM 31 CB HIS 3 3.838 -0.920 0.934 1.00 11.01 ATOM 32 HB1 HIS 3 3.164 -0.329 1.540 1.00 38.50 ATOM 33 HB2 HIS 3 4.530 -0.253 0.438 1.00 55.15 ATOM 34 CG HIS 3 4.645 -1.792 1.846 1.00 0.31 ATOM 35 ND1 HIS 3 5.591 -2.686 1.390 1.00 11.45 ATOM 36 HD1 HIS 3 5.827 -2.841 0.452 1.00 22.14 ATOM 37 CD2 HIS 3 4.645 -1.902 3.195 1.00 14.22 ATOM 38 HD2 HIS 3 4.024 -1.346 3.883 1.00 33.43 ATOM 39 CE1 HIS 3 6.136 -3.309 2.420 1.00 61.13 ATOM 40 HE1 HIS 3 6.907 -4.064 2.366 1.00 21.11 ATOM 41 NE2 HIS 3 5.580 -2.851 3.527 1.00 74.34 ATOM 42 HE2 HIS 3 5.730 -3.212 4.426 1.00 38.50 ATOM 43 C HIS 3 1.762 -2.236 0.471 1.00 33.25 ATOM 44 O HIS 3 1.552 -3.448 0.539 1.00 1.13 ATOM 45 N HIS 4 0.894 -1.327 0.904 1.00 1.30 ATOM 46 HN HIS 4 1.115 -0.369 0.816 1.00 38.50 ATOM 47 CA HIS 4 -0.383 -1.709 1.496 1.00 61.10 ATOM 48 HA HIS 4 -0.182 -2.312 2.369 1.00 71.34 ATOM 49 CB HIS 4 -1.171 -0.465 1.908 1.00 60.32 ATOM 50 HB1 HIS 4 -2.184 -0.746 2.169 1.00 38.50 ATOM 51 HB2 HIS 4 -1.198 0.226 1.079 1.00 44.14 ATOM 52 CG HIS 4 -0.585 0.252 3.085 1.00 53.32 ATOM 53 ND1 HIS 4 0.180 -0.376 4.045 1.00 52.23 ATOM 54 HD1 HIS 4 0.410 -1.326 4.071 1.00 64.33 ATOM 55 CD2 HIS 4 -0.655 1.553 3.453 1.00 21.00 ATOM 56 HD2 HIS 4 -1.177 2.341 2.928 1.00 51.30 ATOM 57 CE1 HIS 4 0.554 0.507 4.953 1.00 0.14 ATOM 58 HE1 HIS 4 1.161 0.301 5.822 1.00 43.42 ATOM 59 NE2 HIS 4 0.061 1.685 4.617 1.00 11.44 ATOM 60 HE2 HIS 4 0.263 2.531 5.068 1.00 38.50 ATOM 61 C HIS 4 -1.205 -2.547 0.521 1.00 43.32 ATOM 62 O HIS 4 -0.951 -2.542 -0.684 1.00 62.32 ATOM 63 N HIS 5 -2.190 -3.265 1.050 1.00 71.13 ATOM 64 HN HIS 5 -2.343 -3.230 2.025 1.00 38.50 ATOM 65 CA HIS 5 -3.049 -4.108 0.226 1.00 72.03 ATOM 66 HA HIS 5 -3.492 -3.488 -0.543 1.00 31.23 ATOM 67 CB HIS 5 -2.228 -5.212 -0.441 1.00 31.33 ATOM 68 HB1 HIS 5 -1.544 -4.772 -1.148 1.00 38.50 ATOM 69 HB2 HIS 5 -2.890 -5.883 -0.972 1.00 42.34 ATOM 70 CG HIS 5 -1.426 -6.029 0.526 1.00 53.43 ATOM 71 ND1 HIS 5 -0.137 -5.707 0.893 1.00 23.45 ATOM 72 HD1 HIS 5 0.375 -4.936 0.571 1.00 63.13 ATOM 73 CD2 HIS 5 -1.739 -7.158 1.203 1.00 63.33 ATOM 74 HD2 HIS 5 -2.674 -7.695 1.156 1.00 22.52 ATOM 75 CE1 HIS 5 0.310 -6.605 1.753 1.00 20.15 ATOM 76 HE1 HIS 5 1.288 -6.609 2.211 1.00 54.01 ATOM 77 NE2 HIS 5 -0.643 -7.496 1.958 1.00 31.34 ATOM 78 HE2 HIS 5 -0.609 -8.217 2.621 1.00 38.50 ATOM 79 C HIS 5 -4.169 -4.723 1.060 1.00 25.22 ATOM 80 O HIS 5 -4.074 -4.798 2.286 1.00 62.12 ATOM 81 N HIS 6 -5.228 -5.162 0.389 1.00 55.25 ATOM 82 HN HIS 6 -5.242 -5.090 -0.596 1.00 38.50 ATOM 83 CA HIS 6 -6.366 -5.770 1.069 1.00 73.45 ATOM 84 HA HIS 6 -6.452 -5.341 2.061 1.00 31.50 ATOM 85 CB HIS 6 -7.659 -5.480 0.305 1.00 2.32 ATOM 86 HB1 HIS 6 -8.503 -5.774 0.910 1.00 38.50 ATOM 87 HB2 HIS 6 -7.669 -6.048 -0.617 1.00 72.43 ATOM 88 CG HIS 6 -7.835 -4.034 -0.046 1.00 21.42 ATOM 89 ND1 HIS 6 -7.834 -3.026 0.895 1.00 45.14 ATOM 90 HD1 HIS 6 -7.723 -3.145 1.861 1.00 54.44 ATOM 91 CD2 HIS 6 -8.017 -3.430 -1.243 1.00 41.12 ATOM 92 HD2 HIS 6 -8.070 -3.919 -2.206 1.00 20.23 ATOM 93 CE1 HIS 6 -8.009 -1.864 0.291 1.00 2.12 ATOM 94 HE1 HIS 6 -8.051 -0.900 0.776 1.00 44.14 ATOM 95 NE2 HIS 6 -8.122 -2.081 -1.007 1.00 33.34 ATOM 96 HE2 HIS 6 -8.356 -1.403 -1.675 1.00 38.50 ATOM 97 C HIS 6 -6.173 -7.277 1.209 1.00 23.33 ATOM 98 O HIS 6 -5.120 -7.813 0.862 1.00 23.32 ATOM 99 N HIS 7 -7.195 -7.955 1.721 1.00 31.32 ATOM 100 HN HIS 7 -8.011 -7.483 2.002 1.00 38.50 ATOM 101 CA HIS 7 -7.137 -9.401 1.908 1.00 40.30 ATOM 102 HA HIS 7 -6.115 -9.735 1.760 1.00 43.53 ATOM 103 CB HIS 7 -7.548 -9.769 3.334 1.00 3.30 ATOM 104 HB1 HIS 7 -7.333 -10.814 3.505 1.00 38.50 ATOM 105 HB2 HIS 7 -8.609 -9.599 3.460 1.00 30.00 ATOM 106 CG HIS 7 -6.837 -8.974 4.386 1.00 53.20 ATOM 107 ND1 HIS 7 -7.356 -7.821 4.937 1.00 72.03 ATOM 108 HD1 HIS 7 -8.216 -7.413 4.705 1.00 3.55 ATOM 109 CD2 HIS 7 -5.642 -9.172 4.989 1.00 31.45 ATOM 110 HD2 HIS 7 -4.957 -9.987 4.801 1.00 52.04 ATOM 111 CE1 HIS 7 -6.510 -7.344 5.832 1.00 11.01 ATOM 112 HE1 HIS 7 -6.652 -6.451 6.422 1.00 1.13 ATOM 113 NE2 HIS 7 -5.462 -8.146 5.884 1.00 41.03 ATOM 114 HE2 HIS 7 -4.731 -8.079 6.533 1.00 38.50 ATOM 115 C HIS 7 -8.039 -10.115 0.906 1.00 50.32 ATOM 116 O HIS 7 -9.235 -9.835 0.823 1.00 54.25 ATOM 117 N HIS 8 -7.457 -11.038 0.146 1.00 15.42 ATOM 118 HN HIS 8 -6.496 -11.227 0.268 1.00 38.50 ATOM 119 CA HIS 8 -8.209 -11.792 -0.851 1.00 11.32 ATOM 120 HA HIS 8 -8.673 -11.087 -1.528 1.00 31.34 ATOM 121 CB HIS 8 -7.271 -12.697 -1.650 1.00 32.11 ATOM 122 HB1 HIS 8 -7.831 -13.217 -2.412 1.00 38.50 ATOM 123 HB2 HIS 8 -6.823 -13.422 -0.985 1.00 12.54 ATOM 124 CG HIS 8 -6.165 -11.957 -2.336 1.00 3.10 ATOM 125 ND1 HIS 8 -6.382 -11.055 -3.356 1.00 61.35 ATOM 126 HD1 HIS 8 -7.255 -10.811 -3.728 1.00 5.24 ATOM 127 CD2 HIS 8 -4.825 -11.987 -2.142 1.00 35.35 ATOM 128 HD2 HIS 8 -4.296 -12.587 -1.415 1.00 41.30 ATOM 129 CE1 HIS 8 -5.224 -10.565 -3.761 1.00 51.43 ATOM 130 HE1 HIS 8 -5.086 -9.838 -4.547 1.00 5.13 ATOM 131 NE2 HIS 8 -4.264 -11.114 -3.040 1.00 4.43 ATOM 132 HE2 HIS 8 -3.304 -10.995 -3.194 1.00 38.50 ATOM 133 C HIS 8 -9.301 -12.627 -0.190 1.00 74.22 ATOM 134 O HIS 8 -9.518 -12.540 1.018 1.00 10.43 ATOM 135 N SER 9 -9.987 -13.436 -0.992 1.00 31.25 ATOM 136 HN SER 9 -9.794 -13.458 -1.956 1.00 38.50 ATOM 137 CA SER 9 -11.060 -14.284 -0.485 1.00 72.04 ATOM 138 HA SER 9 -11.314 -13.979 0.523 1.00 5.24 ATOM 139 CB SER 9 -12.309 -14.138 -1.357 1.00 43.43 ATOM 140 HB1 SER 9 -13.156 -14.570 -0.844 1.00 38.50 ATOM 141 HB2 SER 9 -12.160 -14.648 -2.301 1.00 2.20 ATOM 142 OG SER 9 -12.585 -12.774 -1.627 1.00 74.20 ATOM 143 HG SER 9 -13.033 -12.380 -0.874 1.00 34.12 ATOM 144 C SER 9 -10.624 -15.745 -0.443 1.00 60.43 ATOM 145 O SER 9 -11.451 -16.655 -0.520 1.00 41.31 ATOM 146 N HIS 10 -9.318 -15.963 -0.321 1.00 34.44 ATOM 147 HN HIS 10 -8.697 -15.208 -0.245 1.00 38.50 ATOM 148 CA HIS 10 -8.771 -17.314 -0.268 1.00 24.25 ATOM 149 HA HIS 10 -9.205 -17.822 0.582 1.00 11.21 ATOM 150 CB HIS 10 -9.142 -18.088 -1.533 1.00 33.13 ATOM 151 HB1 HIS 10 -10.188 -18.342 -1.503 1.00 38.50 ATOM 152 HB2 HIS 10 -8.567 -19.004 -1.580 1.00 74.43 ATOM 153 CG HIS 10 -8.890 -17.326 -2.797 1.00 3.10 ATOM 154 ND1 HIS 10 -7.752 -17.487 -3.559 1.00 24.54 ATOM 155 HD1 HIS 10 -7.011 -18.097 -3.359 1.00 33.01 ATOM 156 CD2 HIS 10 -9.637 -16.394 -3.433 1.00 52.13 ATOM 157 HD2 HIS 10 -10.608 -16.033 -3.130 1.00 43.23 ATOM 158 CE1 HIS 10 -7.809 -16.687 -4.608 1.00 12.33 ATOM 159 HE1 HIS 10 -7.057 -16.600 -5.379 1.00 25.23 ATOM 160 NE2 HIS 10 -8.944 -16.012 -4.555 1.00 62.55 ATOM 161 HE2 HIS 10 -9.282 -15.420 -5.259 1.00 38.50 ATOM 162 C HIS 10 -7.254 -17.279 -0.105 1.00 61.44 ATOM 163 O HIS 10 -6.500 -17.648 -1.007 1.00 13.15 ATOM 164 N PRO 11 -6.794 -16.825 1.070 1.00 32.40 ATOM 165 CA PRO 11 -5.364 -16.731 1.378 1.00 60.44 ATOM 166 HA PRO 11 -4.837 -16.163 0.622 1.00 20.42 ATOM 167 CB PRO 11 -5.336 -15.964 2.702 1.00 64.31 ATOM 168 HB1 PRO 11 -5.215 -14.910 2.501 1.00 38.50 ATOM 169 HB2 PRO 11 -4.522 -16.306 3.330 1.00 41.12 ATOM 170 CG PRO 11 -6.660 -16.238 3.327 1.00 70.13 ATOM 171 HG1 PRO 11 -6.941 -15.416 3.968 1.00 38.50 ATOM 172 HG2 PRO 11 -6.616 -17.158 3.892 1.00 42.34 ATOM 173 CD PRO 11 -7.635 -16.369 2.190 1.00 71.45 ATOM 174 HD1 PRO 11 -8.089 -15.414 1.969 1.00 38.50 ATOM 175 HD2 PRO 11 -8.390 -17.100 2.434 1.00 35.22 ATOM 176 C PRO 11 -4.715 -18.101 1.542 1.00 70.54 ATOM 177 O PRO 11 -5.301 -19.010 2.129 1.00 2.44 ATOM 178 N ASN 12 -3.501 -18.243 1.018 1.00 15.23 ATOM 179 HN ASN 12 -3.081 -17.476 0.559 1.00 38.50 ATOM 180 CA ASN 12 -2.773 -19.503 1.107 1.00 21.10 ATOM 181 HA ASN 12 -3.370 -20.272 0.634 1.00 51.22 ATOM 182 CB ASN 12 -1.433 -19.394 0.376 1.00 32.32 ATOM 183 HB1 ASN 12 -0.865 -20.303 0.504 1.00 38.50 ATOM 184 HB2 ASN 12 -0.873 -18.567 0.785 1.00 51.14 ATOM 185 CG ASN 12 -1.604 -19.160 -1.112 1.00 40.23 ATOM 186 OD1 ASN 12 -2.725 -19.103 -1.618 1.00 42.25 ATOM 187 ND2 ASN 12 -0.489 -19.023 -1.821 1.00 54.32 ATOM 188 HD21 ASN 12 0.380 -19.078 -1.363 1.00 53.20 ATOM 189 HD22 ASN 12 -0.578 -18.871 -2.785 1.00 2.53 ATOM 190 C ASN 12 -2.540 -19.896 2.563 1.00 53.41 ATOM 191 O ASN 12 -2.986 -19.207 3.480 1.00 45.41 ATOM 192 N GLU 13 -1.839 -21.007 2.766 1.00 54.22 ATOM 193 HN GLU 13 -1.529 -21.536 1.995 1.00 38.50 ATOM 194 CA GLU 13 -1.548 -21.491 4.110 1.00 11.42 ATOM 195 HA GLU 13 -2.480 -21.566 4.652 1.00 64.00 ATOM 196 CB GLU 13 -0.908 -22.879 4.049 1.00 34.21 ATOM 197 HB1 GLU 13 0.010 -22.810 3.479 1.00 38.50 ATOM 198 HB2 GLU 13 -1.586 -23.550 3.540 1.00 0.41 ATOM 199 CG GLU 13 -0.596 -23.466 5.415 1.00 5.14 ATOM 200 HG1 GLU 13 -1.511 -23.852 5.839 1.00 38.50 ATOM 201 HG2 GLU 13 -0.196 -22.705 6.068 1.00 50.23 ATOM 202 CD GLU 13 0.411 -24.598 5.347 1.00 35.45 ATOM 203 OE1 GLU 13 0.120 -25.609 4.673 1.00 25.14 ATOM 204 OE2 GLU 13 1.487 -24.475 5.968 1.00 11.31 ATOM 205 C GLU 13 -0.625 -20.525 4.848 1.00 65.24 ATOM 206 O GLU 13 -0.781 -20.294 6.046 1.00 54.01 ATOM 207 N GLU 14 0.338 -19.966 4.122 1.00 44.33 ATOM 208 HN GLU 14 0.418 -20.191 3.165 1.00 38.50 ATOM 209 CA GLU 14 1.288 -19.027 4.707 1.00 10.33 ATOM 210 HA GLU 14 1.667 -19.466 5.624 1.00 31.34 ATOM 211 CB GLU 14 2.451 -18.777 3.745 1.00 5.05 ATOM 212 HB1 GLU 14 2.303 -17.828 3.244 1.00 38.50 ATOM 213 HB2 GLU 14 2.466 -19.560 2.996 1.00 71.44 ATOM 214 CG GLU 14 3.811 -18.774 4.423 1.00 25.31 ATOM 215 HG1 GLU 14 4.136 -19.796 4.551 1.00 38.50 ATOM 216 HG2 GLU 14 3.728 -18.300 5.392 1.00 2.14 ATOM 217 CD GLU 14 4.861 -18.030 3.621 1.00 3.02 ATOM 218 OE1 GLU 14 6.049 -18.406 3.704 1.00 1.23 ATOM 219 OE2 GLU 14 4.494 -17.071 2.910 1.00 62.21 ATOM 220 C GLU 14 0.605 -17.706 5.051 1.00 43.21 ATOM 221 O GLU 14 0.736 -17.199 6.165 1.00 51.24 ATOM 222 N ALA 15 -0.123 -17.154 4.085 1.00 25.15 ATOM 223 HN ALA 15 -0.185 -17.606 3.209 1.00 38.50 ATOM 224 CA ALA 15 -0.827 -15.894 4.285 1.00 2.43 ATOM 225 HA ALA 15 -0.091 -15.122 4.465 1.00 63.41 ATOM 226 CB ALA 15 -1.604 -15.519 3.032 1.00 44.32 ATOM 227 HB1 ALA 15 -2.079 -14.558 3.172 1.00 1.22 ATOM 228 HB2 ALA 15 -2.357 -16.268 2.833 1.00 23.12 ATOM 229 HB3 ALA 15 -0.925 -15.464 2.194 1.00 4.43 ATOM 230 C ALA 15 -1.763 -15.972 5.486 1.00 31.34 ATOM 231 O ALA 15 -1.748 -15.100 6.355 1.00 31.11 ATOM 232 N ARG 16 -2.577 -17.022 5.529 1.00 60.14 ATOM 233 HN ARG 16 -2.540 -17.692 4.804 1.00 38.50 ATOM 234 CA ARG 16 -3.522 -17.213 6.623 1.00 45.04 ATOM 235 HA ARG 16 -4.089 -16.299 6.747 1.00 63.11 ATOM 236 CB ARG 16 -4.492 -18.349 6.294 1.00 22.25 ATOM 237 HB1 ARG 16 -4.881 -18.193 5.296 1.00 38.50 ATOM 238 HB2 ARG 16 -5.309 -18.314 7.000 1.00 54.35 ATOM 239 CG ARG 16 -3.858 -19.729 6.358 1.00 64.14 ATOM 240 HG1 ARG 16 -3.554 -19.938 7.368 1.00 38.50 ATOM 241 HG2 ARG 16 -3.008 -19.743 5.721 1.00 61.13 ATOM 242 CD ARG 16 -4.827 -20.809 5.903 1.00 21.00 ATOM 243 HD1 ARG 16 -4.422 -21.778 6.157 1.00 38.50 ATOM 244 HD2 ARG 16 -4.935 -20.740 4.830 1.00 53.22 ATOM 245 NE ARG 16 -6.144 -20.656 6.516 1.00 44.01 ATOM 246 HE ARG 16 -6.880 -20.362 5.935 1.00 64.11 ATOM 247 CZ ARG 16 -6.388 -20.892 7.800 1.00 74.00 ATOM 248 NH1 ARG 16 -5.411 -21.289 8.603 1.00 62.55 ATOM 249 HH11 ARG 16 -4.498 -21.422 8.277 1.00 63.40 ATOM 250 HH12 ARG 16 -5.607 -21.459 9.571 1.00 24.44 ATOM 251 NH2 ARG 16 -7.613 -20.730 8.284 1.00 74.02 ATOM 252 HH21 ARG 16 -8.354 -20.431 7.688 1.00 61.32 ATOM 253 HH22 ARG 16 -7.783 -20.870 9.251 1.00 24.00 ATOM 254 C ARG 16 -2.789 -17.516 7.927 1.00 52.34 ATOM 255 O ARG 16 -3.235 -17.126 9.007 1.00 51.14 ATOM 256 N LEU 17 -1.664 -18.213 7.819 1.00 63.23 ATOM 257 HN LEU 17 -1.361 -18.517 6.932 1.00 38.50 ATOM 258 CA LEU 17 -0.869 -18.569 8.989 1.00 30.11 ATOM 259 HA LEU 17 -1.486 -19.157 9.649 1.00 41.33 ATOM 260 CB LEU 17 0.339 -19.410 8.573 1.00 30.31 ATOM 261 HB1 LEU 17 0.800 -18.935 7.723 1.00 38.50 ATOM 262 HB2 LEU 17 -0.022 -20.380 8.264 1.00 3.44 ATOM 263 CG LEU 17 1.409 -19.624 9.644 1.00 1.23 ATOM 264 HG LEU 17 1.705 -18.675 10.063 1.00 50.44 ATOM 265 CD1 LEU 17 0.868 -20.484 10.775 1.00 31.25 ATOM 266 HD11 LEU 17 0.499 -21.419 10.380 1.00 11.43 ATOM 267 HD12 LEU 17 0.069 -19.962 11.281 1.00 72.25 ATOM 268 HD13 LEU 17 1.661 -20.675 11.458 1.00 60.15 ATOM 269 CD2 LEU 17 2.652 -20.258 9.037 1.00 3.33 ATOM 270 HD21 LEU 17 2.403 -21.225 8.620 1.00 25.53 ATOM 271 HD22 LEU 17 3.407 -20.380 9.801 1.00 35.11 ATOM 272 HD23 LEU 17 3.039 -19.620 8.255 1.00 13.13 ATOM 273 C LEU 17 -0.403 -17.321 9.731 1.00 45.42 ATOM 274 O LEU 17 -0.382 -17.289 10.961 1.00 4.13 ATOM 275 N ASP 18 -0.031 -16.294 8.974 1.00 13.43 ATOM 276 HN ASP 18 -0.047 -16.382 7.992 1.00 38.50 ATOM 277 CA ASP 18 0.432 -15.041 9.560 1.00 53.23 ATOM 278 HA ASP 18 1.363 -15.245 10.074 1.00 22.35 ATOM 279 CB ASP 18 0.676 -14.001 8.465 1.00 72.11 ATOM 280 HB1 ASP 18 -0.268 -13.583 8.135 1.00 38.50 ATOM 281 HB2 ASP 18 1.158 -14.482 7.625 1.00 55.10 ATOM 282 CG ASP 18 1.571 -12.870 8.930 1.00 0.53 ATOM 283 OD1 ASP 18 2.642 -13.158 9.505 1.00 12.42 ATOM 284 OD2 ASP 18 1.201 -11.696 8.719 1.00 43.21 ATOM 285 C ASP 18 -0.579 -14.507 10.570 1.00 51.54 ATOM 286 O ASP 18 -0.211 -13.841 11.538 1.00 20.32 ATOM 287 N ILE 19 -1.853 -14.801 10.336 1.00 75.12 ATOM 288 HN ILE 19 -2.090 -15.335 9.550 1.00 38.50 ATOM 289 CA ILE 19 -2.917 -14.350 11.225 1.00 22.30 ATOM 290 HA ILE 19 -2.812 -13.279 11.359 1.00 63.31 ATOM 291 CB ILE 19 -4.308 -14.627 10.625 1.00 42.23 ATOM 292 HB ILE 19 -4.451 -15.686 10.591 1.00 62.22 ATOM 293 CG1 ILE 19 -4.392 -14.074 9.201 1.00 41.34 ATOM 294 HG11 ILE 19 -3.586 -14.464 8.601 1.00 38.50 ATOM 295 HG12 ILE 19 -4.318 -12.997 9.228 1.00 71.33 ATOM 296 CG2 ILE 19 -5.393 -14.018 11.500 1.00 31.01 ATOM 297 HG21 ILE 19 -5.370 -14.480 12.462 1.00 31.31 ATOM 298 HG22 ILE 19 -6.365 -14.187 11.063 1.00 74.24 ATOM 299 HG23 ILE 19 -5.226 -12.955 11.606 1.00 4.53 ATOM 300 CD1 ILE 19 -5.679 -14.428 8.490 1.00 53.03 ATOM 301 HD11 ILE 19 -5.623 -14.093 7.465 1.00 73.23 ATOM 302 HD12 ILE 19 -6.512 -13.945 8.976 1.00 24.24 ATOM 303 HD13 ILE 19 -5.817 -15.495 8.507 1.00 1.01 ATOM 304 C ILE 19 -2.819 -15.029 12.587 1.00 32.10 ATOM 305 O ILE 19 -3.016 -14.395 13.625 1.00 63.04 ATOM 306 N LEU 20 -2.513 -16.322 12.577 1.00 43.41 ATOM 307 HN LEU 20 -2.374 -16.782 11.715 1.00 38.50 ATOM 308 CA LEU 20 -2.387 -17.088 13.812 1.00 45.30 ATOM 309 HA LEU 20 -3.282 -16.931 14.403 1.00 14.25 ATOM 310 CB LEU 20 -2.257 -18.579 13.499 1.00 21.41 ATOM 311 HB1 LEU 20 -1.889 -19.079 14.389 1.00 38.50 ATOM 312 HB2 LEU 20 -1.499 -18.683 12.732 1.00 32.55 ATOM 313 CG LEU 20 -3.535 -19.283 13.042 1.00 13.10 ATOM 314 HG LEU 20 -4.325 -18.567 12.965 1.00 73.31 ATOM 315 CD1 LEU 20 -3.337 -19.914 11.673 1.00 62.32 ATOM 316 HD11 LEU 20 -4.236 -20.440 11.380 1.00 2.50 ATOM 317 HD12 LEU 20 -2.509 -20.609 11.705 1.00 41.24 ATOM 318 HD13 LEU 20 -3.131 -19.139 10.952 1.00 30.23 ATOM 319 CD2 LEU 20 -3.959 -20.333 14.059 1.00 52.40 ATOM 320 HD21 LEU 20 -3.185 -21.082 14.155 1.00 75.54 ATOM 321 HD22 LEU 20 -4.876 -20.804 13.733 1.00 53.11 ATOM 322 HD23 LEU 20 -4.123 -19.862 15.019 1.00 1.44 ATOM 323 C LEU 20 -1.182 -16.620 14.622 1.00 2.12 ATOM 324 O LEU 20 -1.197 -16.652 15.853 1.00 62.41 ATOM 325 N LYS 21 -0.139 -16.183 13.924 1.00 54.31 ATOM 326 HN LYS 21 -0.173 -16.190 12.939 1.00 38.50 ATOM 327 CA LYS 21 1.073 -15.704 14.577 1.00 62.10 ATOM 328 HA LYS 21 1.367 -16.429 15.327 1.00 70.24 ATOM 329 CB LYS 21 2.204 -15.561 13.556 1.00 24.12 ATOM 330 HB1 LYS 21 3.027 -15.019 14.006 1.00 38.50 ATOM 331 HB2 LYS 21 1.832 -14.994 12.713 1.00 64.05 ATOM 332 CG LYS 21 2.742 -16.890 13.053 1.00 14.24 ATOM 333 HG1 LYS 21 1.911 -17.538 12.804 1.00 38.50 ATOM 334 HG2 LYS 21 3.324 -17.342 13.844 1.00 50.11 ATOM 335 CD LYS 21 3.607 -16.710 11.818 1.00 43.33 ATOM 336 HD1 LYS 21 4.137 -15.766 11.875 1.00 38.50 ATOM 337 HD2 LYS 21 2.972 -16.712 10.945 1.00 74.14 ATOM 338 CE LYS 21 4.626 -17.831 11.682 1.00 32.23 ATOM 339 HE1 LYS 21 4.970 -17.857 10.658 1.00 38.50 ATOM 340 HE2 LYS 21 4.161 -18.778 11.923 1.00 32.12 ATOM 341 NZ LYS 21 5.800 -17.624 12.574 1.00 24.41 ATOM 342 HZ1 LYS 21 5.499 -17.597 13.570 1.00 51.10 ATOM 343 HZ2 LYS 21 6.277 -16.728 12.343 1.00 23.32 ATOM 344 HZ3 LYS 21 6.479 -18.403 12.452 1.00 52.10 ATOM 345 C LYS 21 0.827 -14.367 15.269 1.00 21.54 ATOM 346 O LYS 21 1.228 -14.169 16.417 1.00 61.34 ATOM 347 N ILE 22 0.165 -13.455 14.566 1.00 31.11 ATOM 348 HN ILE 22 -0.143 -13.677 13.656 1.00 38.50 ATOM 349 CA ILE 22 -0.136 -12.139 15.115 1.00 55.10 ATOM 350 HA ILE 22 0.792 -11.686 15.431 1.00 71.43 ATOM 351 CB ILE 22 -0.786 -11.224 14.060 1.00 64.02 ATOM 352 HB ILE 22 -1.712 -11.685 13.739 1.00 51.12 ATOM 353 CG1 ILE 22 0.143 -11.060 12.854 1.00 33.55 ATOM 354 HG11 ILE 22 0.641 -11.986 12.630 1.00 38.50 ATOM 355 HG12 ILE 22 0.896 -10.315 13.077 1.00 13.22 ATOM 356 CG2 ILE 22 -1.119 -9.869 14.666 1.00 23.13 ATOM 357 HG21 ILE 22 -0.245 -9.460 15.156 1.00 12.12 ATOM 358 HG22 ILE 22 -1.919 -9.971 15.383 1.00 31.03 ATOM 359 HG23 ILE 22 -1.438 -9.190 13.886 1.00 73.34 ATOM 360 CD1 ILE 22 -0.572 -10.616 11.597 1.00 22.14 ATOM 361 HD11 ILE 22 0.138 -10.539 10.787 1.00 34.03 ATOM 362 HD12 ILE 22 -1.032 -9.653 11.764 1.00 20.13 ATOM 363 HD13 ILE 22 -1.333 -11.339 11.341 1.00 64.34 ATOM 364 C ILE 22 -1.065 -12.245 16.320 1.00 72.22 ATOM 365 O ILE 22 -0.880 -11.555 17.323 1.00 71.21 ATOM 366 N HIS 23 -2.064 -13.116 16.215 1.00 53.31 ATOM 367 HN HIS 23 -2.168 -13.640 15.385 1.00 38.50 ATOM 368 CA HIS 23 -3.022 -13.315 17.297 1.00 5.24 ATOM 369 HA HIS 23 -3.354 -12.345 17.639 1.00 32.24 ATOM 370 CB HIS 23 -4.223 -14.120 16.802 1.00 32.11 ATOM 371 HB1 HIS 23 -4.750 -14.519 17.655 1.00 38.50 ATOM 372 HB2 HIS 23 -3.878 -14.936 16.184 1.00 64.44 ATOM 373 CG HIS 23 -5.200 -13.311 16.006 1.00 44.53 ATOM 374 ND1 HIS 23 -5.520 -12.004 16.311 1.00 63.44 ATOM 375 HD1 HIS 23 -5.166 -11.485 17.061 1.00 33.31 ATOM 376 CD2 HIS 23 -5.927 -13.628 14.909 1.00 24.31 ATOM 377 HD2 HIS 23 -5.950 -14.587 14.417 1.00 53.43 ATOM 378 CE1 HIS 23 -6.403 -11.554 15.437 1.00 24.40 ATOM 379 HE1 HIS 23 -6.835 -10.564 15.428 1.00 74.33 ATOM 380 NE2 HIS 23 -6.666 -12.520 14.576 1.00 70.35 ATOM 381 HE2 HIS 23 -7.352 -12.482 13.877 1.00 38.50 ATOM 382 C HIS 23 -2.367 -14.028 18.477 1.00 73.12 ATOM 383 O HIS 23 -2.721 -13.791 19.632 1.00 72.43 ATOM 384 N SER 24 -1.412 -14.903 18.177 1.00 11.44 ATOM 385 HN SER 24 -1.168 -15.059 17.235 1.00 38.50 ATOM 386 CA SER 24 -0.712 -15.654 19.213 1.00 42.24 ATOM 387 HA SER 24 -1.429 -15.947 19.971 1.00 63.31 ATOM 388 CB SER 24 -0.087 -16.918 18.620 1.00 20.52 ATOM 389 HB1 SER 24 0.507 -17.387 19.358 1.00 38.50 ATOM 390 HB2 SER 24 0.530 -16.652 17.775 1.00 11.23 ATOM 391 OG SER 24 -1.086 -17.826 18.188 1.00 25.41 ATOM 392 HG SER 24 -0.684 -18.514 17.653 1.00 64.20 ATOM 393 C SER 24 0.368 -14.798 19.868 1.00 22.40 ATOM 394 O SER 24 0.735 -15.020 21.022 1.00 3.41 ATOM 395 N ARG 25 0.873 -13.821 19.123 1.00 51.42 ATOM 396 HN ARG 25 0.563 -13.702 18.196 1.00 38.50 ATOM 397 CA ARG 25 1.912 -12.932 19.630 1.00 73.03 ATOM 398 HA ARG 25 2.806 -13.522 19.788 1.00 70.52 ATOM 399 CB ARG 25 2.202 -11.823 18.617 1.00 3.43 ATOM 400 HB1 ARG 25 2.492 -10.918 19.139 1.00 38.50 ATOM 401 HB2 ARG 25 1.309 -11.620 18.054 1.00 53.23 ATOM 402 CG ARG 25 3.319 -12.164 17.644 1.00 52.41 ATOM 403 HG1 ARG 25 3.164 -13.156 17.252 1.00 38.50 ATOM 404 HG2 ARG 25 4.259 -12.134 18.176 1.00 43.21 ATOM 405 CD ARG 25 3.380 -11.169 16.495 1.00 14.13 ATOM 406 HD1 ARG 25 4.073 -10.387 16.772 1.00 38.50 ATOM 407 HD2 ARG 25 2.405 -10.735 16.327 1.00 5.35 ATOM 408 NE ARG 25 3.839 -11.791 15.256 1.00 13.23 ATOM 409 HE ARG 25 3.884 -12.775 15.221 1.00 12.01 ATOM 410 CZ ARG 25 4.194 -11.103 14.176 1.00 33.45 ATOM 411 NH1 ARG 25 4.143 -9.779 14.184 1.00 50.53 ATOM 412 HH11 ARG 25 3.839 -9.273 14.988 1.00 75.21 ATOM 413 HH12 ARG 25 4.415 -9.269 13.365 1.00 60.23 ATOM 414 NH2 ARG 25 4.601 -11.741 13.087 1.00 71.34 ATOM 415 HH21 ARG 25 4.642 -12.742 13.075 1.00 14.05 ATOM 416 HH22 ARG 25 4.869 -11.225 12.271 1.00 74.24 ATOM 417 C ARG 25 1.500 -12.321 20.966 1.00 52.11 ATOM 418 O ARG 25 2.337 -12.086 21.838 1.00 54.21 ATOM 419 N LYS 26 0.205 -12.065 21.120 1.00 61.15 ATOM 420 HN LYS 26 -0.423 -12.252 20.384 1.00 38.50 ATOM 421 CA LYS 26 -0.320 -11.482 22.349 1.00 65.03 ATOM 422 HA LYS 26 0.397 -10.756 22.719 1.00 1.13 ATOM 423 CB LYS 26 -1.651 -10.778 22.076 1.00 44.11 ATOM 424 HB1 LYS 26 -2.245 -10.777 22.985 1.00 38.50 ATOM 425 HB2 LYS 26 -2.191 -11.321 21.312 1.00 54.30 ATOM 426 CG LYS 26 -1.494 -9.340 21.612 1.00 12.01 ATOM 427 HG1 LYS 26 -1.225 -9.335 20.566 1.00 38.50 ATOM 428 HG2 LYS 26 -0.705 -8.868 22.185 1.00 44.35 ATOM 429 CD LYS 26 -2.772 -8.545 21.821 1.00 41.41 ATOM 430 HD1 LYS 26 -2.531 -7.492 21.788 1.00 38.50 ATOM 431 HD2 LYS 26 -3.199 -8.783 22.786 1.00 24.50 ATOM 432 CE LYS 26 -3.797 -8.843 20.738 1.00 35.11 ATOM 433 HE1 LYS 26 -4.752 -8.448 21.053 1.00 38.50 ATOM 434 HE2 LYS 26 -3.882 -9.914 20.606 1.00 73.42 ATOM 435 NZ LYS 26 -3.428 -8.220 19.437 1.00 10.42 ATOM 436 HZ1 LYS 26 -3.302 -7.192 19.548 1.00 64.34 ATOM 437 HZ2 LYS 26 -4.181 -8.387 18.740 1.00 33.53 ATOM 438 HZ3 LYS 26 -2.545 -8.631 19.074 1.00 44.51 ATOM 439 C LYS 26 -0.508 -12.551 23.421 1.00 50.34 ATOM 440 O LYS 26 -0.441 -12.263 24.615 1.00 21.23 ATOM 441 N MET 27 -0.743 -13.784 22.985 1.00 23.31 ATOM 442 HN MET 27 -0.821 -13.957 22.027 1.00 38.50 ATOM 443 CA MET 27 -0.938 -14.896 23.908 1.00 21.05 ATOM 444 HA MET 27 -1.271 -14.508 24.864 1.00 65.31 ATOM 445 CB MET 27 -2.013 -15.846 23.377 1.00 53.51 ATOM 446 HB1 MET 27 -2.173 -16.632 24.101 1.00 38.50 ATOM 447 HB2 MET 27 -1.669 -16.286 22.450 1.00 3.22 ATOM 448 CG MET 27 -3.346 -15.165 23.107 1.00 25.03 ATOM 449 HG1 MET 27 -3.291 -14.665 22.151 1.00 38.50 ATOM 450 HG2 MET 27 -3.539 -14.435 23.883 1.00 63.31 ATOM 451 SD MET 27 -4.724 -16.327 23.070 1.00 41.22 ATOM 452 CE MET 27 -4.103 -17.552 21.921 1.00 65.31 ATOM 453 HE1 MET 27 -3.191 -17.984 22.304 1.00 22.13 ATOM 454 HE2 MET 27 -3.908 -17.087 20.967 1.00 33.22 ATOM 455 HE3 MET 27 -4.837 -18.330 21.798 1.00 25.53 ATOM 456 C MET 27 0.366 -15.657 24.127 1.00 50.13 ATOM 457 O MET 27 1.422 -15.247 23.648 1.00 42.35 ATOM 458 N ASN 28 0.284 -16.767 24.853 1.00 11.11 ATOM 459 HN ASN 28 -0.576 -17.045 25.239 1.00 38.50 ATOM 460 CA ASN 28 1.458 -17.584 25.135 1.00 22.32 ATOM 461 HA ASN 28 2.348 -17.048 24.818 1.00 0.44 ATOM 462 CB ASN 28 1.564 -17.861 26.636 1.00 3.23 ATOM 463 HB1 ASN 28 2.261 -18.671 26.815 1.00 38.50 ATOM 464 HB2 ASN 28 0.590 -18.139 27.008 1.00 42.54 ATOM 465 CG ASN 28 2.039 -16.649 27.415 1.00 30.32 ATOM 466 OD1 ASN 28 2.676 -15.753 26.862 1.00 2.34 ATOM 467 ND2 ASN 28 1.730 -16.618 28.706 1.00 11.13 ATOM 468 HD21 ASN 28 1.222 -17.362 29.082 1.00 0.50 ATOM 469 HD22 ASN 28 2.026 -15.845 29.231 1.00 51.15 ATOM 470 C ASN 28 1.402 -18.901 24.367 1.00 74.20 ATOM 471 O ASN 28 0.340 -19.513 24.240 1.00 64.43 ATOM 472 N LEU 29 2.550 -19.332 23.857 1.00 22.01 ATOM 473 HN LEU 29 3.371 -18.801 23.981 1.00 38.50 ATOM 474 CA LEU 29 2.633 -20.577 23.102 1.00 74.25 ATOM 475 HA LEU 29 1.683 -21.084 23.156 1.00 34.23 ATOM 476 CB LEU 29 2.934 -20.285 21.630 1.00 33.15 ATOM 477 HB1 LEU 29 2.752 -21.190 21.073 1.00 38.50 ATOM 478 HB2 LEU 29 3.989 -20.040 21.544 1.00 43.53 ATOM 479 CG LEU 29 2.131 -19.150 20.994 1.00 72.34 ATOM 480 HG LEU 29 2.166 -18.280 21.632 1.00 5.01 ATOM 481 CD1 LEU 29 2.732 -18.758 19.653 1.00 5.42 ATOM 482 HD11 LEU 29 3.813 -18.752 19.722 1.00 74.15 ATOM 483 HD12 LEU 29 2.404 -17.771 19.385 1.00 53.25 ATOM 484 HD13 LEU 29 2.431 -19.461 18.886 1.00 62.22 ATOM 485 CD2 LEU 29 0.673 -19.556 20.828 1.00 45.22 ATOM 486 HD21 LEU 29 0.560 -20.200 19.965 1.00 30.43 ATOM 487 HD22 LEU 29 0.065 -18.680 20.705 1.00 23.23 ATOM 488 HD23 LEU 29 0.333 -20.086 21.708 1.00 23.25 ATOM 489 C LEU 29 3.705 -21.495 23.679 1.00 3.24 ATOM 490 O LEU 29 4.702 -21.031 24.235 1.00 71.02 ATOM 491 N THR 30 3.496 -22.801 23.543 1.00 11.35 ATOM 492 HN THR 30 2.674 -23.113 23.094 1.00 38.50 ATOM 493 CA THR 30 4.445 -23.784 24.051 1.00 54.23 ATOM 494 HA THR 30 4.454 -23.716 25.130 1.00 41.22 ATOM 495 CB THR 30 4.031 -25.216 23.662 1.00 2.14 ATOM 496 HB THR 30 3.044 -25.409 24.057 1.00 61.05 ATOM 497 OG1 THR 30 4.951 -26.160 24.222 1.00 62.04 ATOM 498 HG1 THR 30 4.731 -26.317 25.144 1.00 70.11 ATOM 499 CG2 THR 30 3.989 -25.376 22.150 1.00 3.31 ATOM 500 HG21 THR 30 3.208 -24.754 21.753 1.00 73.12 ATOM 501 HG22 THR 30 3.775 -26.407 21.911 1.00 10.51 ATOM 502 HG23 THR 30 4.933 -25.103 21.712 1.00 23.53 ATOM 503 C THR 30 5.850 -23.513 23.526 1.00 2.15 ATOM 504 O THR 30 6.034 -22.738 22.587 1.00 30.43 ATOM 505 N ARG 31 6.839 -24.156 24.138 1.00 21.15 ATOM 506 HN ARG 31 6.628 -24.776 24.877 1.00 38.50 ATOM 507 CA ARG 31 8.229 -23.984 23.733 1.00 11.41 ATOM 508 HA ARG 31 8.393 -22.937 23.504 1.00 43.21 ATOM 509 CB ARG 31 9.168 -24.398 24.867 1.00 64.41 ATOM 510 HB1 ARG 31 10.175 -24.520 24.481 1.00 38.50 ATOM 511 HB2 ARG 31 8.834 -25.346 25.264 1.00 60.55 ATOM 512 CG ARG 31 9.217 -23.401 26.013 1.00 64.02 ATOM 513 HG1 ARG 31 9.733 -23.856 26.846 1.00 38.50 ATOM 514 HG2 ARG 31 8.209 -23.147 26.310 1.00 53.52 ATOM 515 CD ARG 31 9.950 -22.130 25.614 1.00 52.52 ATOM 516 HD1 ARG 31 9.305 -21.542 24.977 1.00 38.50 ATOM 517 HD2 ARG 31 10.844 -22.406 25.066 1.00 53.32 ATOM 518 NE ARG 31 10.331 -21.330 26.775 1.00 20.10 ATOM 519 HE ARG 31 9.889 -21.525 27.634 1.00 65.43 ATOM 520 CZ ARG 31 11.233 -20.356 26.733 1.00 62.14 ATOM 521 NH1 ARG 31 11.843 -20.062 25.593 1.00 63.24 ATOM 522 HH11 ARG 31 11.642 -20.554 24.750 1.00 75.45 ATOM 523 HH12 ARG 31 12.524 -19.327 25.573 1.00 24.51 ATOM 524 NH2 ARG 31 11.526 -19.673 27.832 1.00 65.31 ATOM 525 HH21 ARG 31 11.068 -19.890 28.697 1.00 44.20 ATOM 526 HH22 ARG 31 12.207 -18.938 27.802 1.00 55.30 ATOM 527 C ARG 31 8.535 -24.799 22.480 1.00 30.34 ATOM 528 O ARG 31 9.299 -25.763 22.526 1.00 54.22 ATOM 529 N GLY 32 7.933 -24.406 21.362 1.00 14.11 ATOM 530 HN GLY 32 7.380 -23.599 21.367 1.00 38.50 ATOM 531 CA GLY 32 8.153 -25.112 20.113 1.00 13.52 ATOM 532 HA1 GLY 32 8.681 -26.042 20.287 1.00 38.50 ATOM 533 HA2 GLY 32 8.758 -24.491 19.471 1.00 72.32 ATOM 534 C GLY 32 6.859 -25.429 19.391 1.00 55.13 ATOM 535 O GLY 32 6.724 -26.491 18.783 1.00 61.15 ATOM 536 N ILE 33 5.904 -24.507 19.458 1.00 33.43 ATOM 537 HN ILE 33 6.071 -23.666 19.933 1.00 38.50 ATOM 538 CA ILE 33 4.614 -24.695 18.806 1.00 70.22 ATOM 539 HA ILE 33 4.227 -25.665 19.108 1.00 12.41 ATOM 540 CB ILE 33 3.602 -23.617 19.237 1.00 24.13 ATOM 541 HB ILE 33 3.592 -23.558 20.302 1.00 42.43 ATOM 542 CG1 ILE 33 2.201 -23.970 18.734 1.00 65.34 ATOM 543 HG11 ILE 33 1.919 -24.934 19.120 1.00 38.50 ATOM 544 HG12 ILE 33 2.190 -23.997 17.657 1.00 40.14 ATOM 545 CG2 ILE 33 4.029 -22.252 18.718 1.00 23.22 ATOM 546 HG21 ILE 33 3.413 -21.489 19.159 1.00 1.13 ATOM 547 HG22 ILE 33 3.920 -22.207 17.643 1.00 71.21 ATOM 548 HG23 ILE 33 5.060 -22.062 18.979 1.00 14.44 ATOM 549 CD1 ILE 33 1.138 -22.983 19.163 1.00 64.34 ATOM 550 HD11 ILE 33 1.131 -22.899 20.240 1.00 64.51 ATOM 551 HD12 ILE 33 0.185 -23.340 18.824 1.00 5.23 ATOM 552 HD13 ILE 33 1.332 -22.016 18.724 1.00 64.20 ATOM 553 C ILE 33 4.756 -24.664 17.288 1.00 62.42 ATOM 554 O ILE 33 5.606 -23.958 16.748 1.00 3.33 ATOM 555 N ASN 34 3.916 -25.435 16.604 1.00 0.15 ATOM 556 HN ASN 34 3.250 -25.979 17.084 1.00 38.50 ATOM 557 CA ASN 34 3.947 -25.495 15.148 1.00 60.14 ATOM 558 HA ASN 34 4.754 -24.863 14.789 1.00 25.13 ATOM 559 CB ASN 34 4.200 -26.930 14.681 1.00 65.00 ATOM 560 HB1 ASN 34 3.275 -27.424 14.467 1.00 38.50 ATOM 561 HB2 ASN 34 4.709 -27.474 15.465 1.00 54.43 ATOM 562 CG ASN 34 5.074 -26.990 13.443 1.00 42.51 ATOM 563 OD1 ASN 34 6.289 -26.804 13.517 1.00 30.24 ATOM 564 ND2 ASN 34 4.458 -27.249 12.296 1.00 54.02 ATOM 565 HD21 ASN 34 3.496 -27.386 12.299 1.00 41.50 ATOM 566 HD22 ASN 34 5.004 -27.293 11.484 1.00 55.11 ATOM 567 C ASN 34 2.640 -24.979 14.554 1.00 51.21 ATOM 568 O ASN 34 1.675 -25.729 14.402 1.00 61.23 ATOM 569 N LEU 35 2.616 -23.693 14.220 1.00 75.33 ATOM 570 HN LEU 35 3.425 -23.143 14.356 1.00 38.50 ATOM 571 CA LEU 35 1.427 -23.076 13.641 1.00 2.55 ATOM 572 HA LEU 35 0.569 -23.408 14.194 1.00 10.24 ATOM 573 CB LEU 35 1.510 -21.553 13.761 1.00 3.23 ATOM 574 HB1 LEU 35 0.606 -21.125 13.348 1.00 38.50 ATOM 575 HB2 LEU 35 2.350 -21.231 13.158 1.00 22.33 ATOM 576 CG LEU 35 1.710 -21.001 15.173 1.00 3.41 ATOM 577 HG LEU 35 2.341 -21.670 15.741 1.00 65.25 ATOM 578 CD1 LEU 35 2.406 -19.649 15.124 1.00 22.20 ATOM 579 HD11 LEU 35 2.580 -19.295 16.131 1.00 15.35 ATOM 580 HD12 LEU 35 1.784 -18.940 14.597 1.00 21.40 ATOM 581 HD13 LEU 35 3.354 -19.746 14.612 1.00 33.13 ATOM 582 CD2 LEU 35 0.376 -20.889 15.896 1.00 20.53 ATOM 583 HD21 LEU 35 -0.271 -20.206 15.364 1.00 12.52 ATOM 584 HD22 LEU 35 0.537 -20.522 16.900 1.00 62.34 ATOM 585 HD23 LEU 35 -0.093 -21.862 15.945 1.00 3.42 ATOM 586 C LEU 35 1.264 -23.474 12.178 1.00 13.32 ATOM 587 O LEU 35 0.153 -23.481 11.647 1.00 41.11 ATOM 588 N ARG 36 2.377 -23.806 11.533 1.00 71.41 ATOM 589 HN ARG 36 3.244 -23.765 11.998 1.00 38.50 ATOM 590 CA ARG 36 2.357 -24.207 10.131 1.00 12.02 ATOM 591 HA ARG 36 1.959 -23.385 9.552 1.00 45.33 ATOM 592 CB ARG 36 3.775 -24.511 9.645 1.00 1.03 ATOM 593 HB1 ARG 36 4.241 -25.195 10.340 1.00 38.50 ATOM 594 HB2 ARG 36 4.336 -23.585 9.637 1.00 71.12 ATOM 595 CG ARG 36 3.824 -25.132 8.259 1.00 51.54 ATOM 596 HG1 ARG 36 3.077 -24.669 7.638 1.00 38.50 ATOM 597 HG2 ARG 36 3.624 -26.189 8.340 1.00 53.13 ATOM 598 CD ARG 36 5.185 -24.937 7.609 1.00 71.02 ATOM 599 HD1 ARG 36 5.889 -25.618 8.065 1.00 38.50 ATOM 600 HD2 ARG 36 5.509 -23.916 7.779 1.00 72.22 ATOM 601 NE ARG 36 5.145 -25.186 6.170 1.00 2.23 ATOM 602 HE ARG 36 4.340 -25.618 5.798 1.00 31.12 ATOM 603 CZ ARG 36 6.133 -24.867 5.342 1.00 65.22 ATOM 604 NH1 ARG 36 7.233 -24.291 5.807 1.00 41.30 ATOM 605 HH11 ARG 36 7.346 -24.088 6.777 1.00 44.32 ATOM 606 HH12 ARG 36 7.972 -24.052 5.173 1.00 3.12 ATOM 607 NH2 ARG 36 6.023 -25.126 4.045 1.00 1.30 ATOM 608 HH21 ARG 36 5.195 -25.563 3.687 1.00 73.43 ATOM 609 HH22 ARG 36 6.767 -24.886 3.418 1.00 21.44 ATOM 610 C ARG 36 1.465 -25.428 9.928 1.00 61.44 ATOM 611 O ARG 36 0.822 -25.575 8.888 1.00 63.22 ATOM 612 N LYS 37 1.431 -26.303 10.927 1.00 24.11 ATOM 613 HN LYS 37 1.951 -26.131 11.743 1.00 38.50 ATOM 614 CA LYS 37 0.619 -27.512 10.860 1.00 52.23 ATOM 615 HA LYS 37 0.700 -27.926 9.862 1.00 1.35 ATOM 616 CB LYS 37 1.129 -28.551 11.861 1.00 43.14 ATOM 617 HB1 LYS 37 1.152 -28.111 12.848 1.00 38.50 ATOM 618 HB2 LYS 37 2.137 -28.821 11.579 1.00 4.43 ATOM 619 CG LYS 37 0.305 -29.826 11.887 1.00 32.21 ATOM 620 HG1 LYS 37 0.978 -30.664 12.012 1.00 38.50 ATOM 621 HG2 LYS 37 -0.222 -29.937 10.946 1.00 61.05 ATOM 622 CD LYS 37 -0.712 -29.809 13.016 1.00 74.22 ATOM 623 HD1 LYS 37 -1.665 -30.075 12.602 1.00 38.50 ATOM 624 HD2 LYS 37 -0.783 -28.824 13.455 1.00 51.40 ATOM 625 CE LYS 37 -0.359 -30.816 14.100 1.00 41.11 ATOM 626 HE1 LYS 37 -0.862 -30.531 15.012 1.00 38.50 ATOM 627 HE2 LYS 37 0.709 -30.814 14.266 1.00 64.42 ATOM 628 NZ LYS 37 -0.778 -32.197 13.732 1.00 3.23 ATOM 629 HZ1 LYS 37 -0.304 -32.498 12.855 1.00 15.43 ATOM 630 HZ2 LYS 37 -1.808 -32.237 13.588 1.00 43.45 ATOM 631 HZ3 LYS 37 -0.523 -32.859 14.493 1.00 54.43 ATOM 632 C LYS 37 -0.847 -27.198 11.140 1.00 74.11 ATOM 633 O LYS 37 -1.744 -27.867 10.626 1.00 71.24 ATOM 634 N ILE 38 -1.084 -26.177 11.956 1.00 4.34 ATOM 635 HN ILE 38 -0.330 -25.672 12.319 1.00 38.50 ATOM 636 CA ILE 38 -2.441 -25.774 12.302 1.00 51.31 ATOM 637 HA ILE 38 -2.937 -26.622 12.756 1.00 61.31 ATOM 638 CB ILE 38 -2.443 -24.607 13.307 1.00 32.14 ATOM 639 HB ILE 38 -2.038 -23.730 12.820 1.00 54.44 ATOM 640 CG1 ILE 38 -1.570 -24.946 14.517 1.00 31.32 ATOM 641 HG11 ILE 38 -1.608 -24.131 15.227 1.00 38.50 ATOM 642 HG12 ILE 38 -0.560 -25.084 14.202 1.00 31.41 ATOM 643 CG2 ILE 38 -3.865 -24.289 13.746 1.00 42.51 ATOM 644 HG21 ILE 38 -4.418 -23.875 12.917 1.00 2.14 ATOM 645 HG22 ILE 38 -3.846 -23.564 14.549 1.00 1.43 ATOM 646 HG23 ILE 38 -4.357 -25.186 14.090 1.00 73.12 ATOM 647 CD1 ILE 38 -1.999 -26.205 15.238 1.00 30.10 ATOM 648 HD11 ILE 38 -3.068 -26.284 15.268 1.00 32.42 ATOM 649 HD12 ILE 38 -1.622 -26.178 16.247 1.00 61.14 ATOM 650 HD13 ILE 38 -1.590 -27.065 14.727 1.00 22.42 ATOM 651 C ILE 38 -3.225 -25.362 11.060 1.00 1.55 ATOM 652 O ILE 38 -4.341 -25.829 10.835 1.00 64.22 ATOM 653 N ALA 39 -2.632 -24.484 10.257 1.00 31.14 ATOM 654 HN ALA 39 -1.735 -24.143 10.492 1.00 38.50 ATOM 655 CA ALA 39 -3.273 -24.012 9.036 1.00 1.34 ATOM 656 HA ALA 39 -4.232 -23.584 9.300 1.00 21.23 ATOM 657 CB ALA 39 -2.435 -22.918 8.390 1.00 74.22 ATOM 658 HB1 ALA 39 -1.440 -23.294 8.201 1.00 50.21 ATOM 659 HB2 ALA 39 -2.377 -22.070 9.056 1.00 23.34 ATOM 660 HB3 ALA 39 -2.885 -22.610 7.457 1.00 12.32 ATOM 661 C ALA 39 -3.498 -25.158 8.056 1.00 51.31 ATOM 662 O ALA 39 -4.460 -25.149 7.289 1.00 71.43 ATOM 663 N GLU 40 -2.604 -26.141 8.087 1.00 73.22 ATOM 664 HN GLU 40 -1.841 -26.088 8.708 1.00 38.50 ATOM 665 CA GLU 40 -2.706 -27.293 7.199 1.00 72.33 ATOM 666 HA GLU 40 -2.714 -26.930 6.178 1.00 4.23 ATOM 667 CB GLU 40 -1.509 -28.226 7.397 1.00 14.32 ATOM 668 HB1 GLU 40 -1.819 -29.252 7.230 1.00 38.50 ATOM 669 HB2 GLU 40 -1.146 -28.138 8.405 1.00 21.14 ATOM 670 CG GLU 40 -0.350 -27.936 6.459 1.00 42.10 ATOM 671 HG1 GLU 40 0.051 -26.965 6.704 1.00 38.50 ATOM 672 HG2 GLU 40 -0.712 -27.930 5.440 1.00 23.02 ATOM 673 CD GLU 40 0.764 -28.958 6.575 1.00 21.21 ATOM 674 OE1 GLU 40 1.096 -29.592 5.551 1.00 11.22 ATOM 675 OE2 GLU 40 1.303 -29.125 7.689 1.00 45.12 ATOM 676 C GLU 40 -4.005 -28.056 7.444 1.00 51.24 ATOM 677 O GLU 40 -4.473 -28.800 6.581 1.00 34.42 ATOM 678 N LEU 41 -4.582 -27.865 8.625 1.00 71.51 ATOM 679 HN LEU 41 -4.154 -27.300 9.303 1.00 38.50 ATOM 680 CA LEU 41 -5.827 -28.535 8.985 1.00 30.22 ATOM 681 HA LEU 41 -5.931 -29.434 8.389 1.00 24.11 ATOM 682 CB LEU 41 -5.803 -28.939 10.460 1.00 35.13 ATOM 683 HB1 LEU 41 -6.658 -29.576 10.650 1.00 38.50 ATOM 684 HB2 LEU 41 -5.924 -28.034 11.049 1.00 31.33 ATOM 685 CG LEU 41 -4.540 -29.653 10.941 1.00 64.34 ATOM 686 HG LEU 41 -3.675 -29.215 10.478 1.00 43.42 ATOM 687 CD1 LEU 41 -4.379 -29.500 12.445 1.00 4.30 ATOM 688 HD11 LEU 41 -3.580 -30.128 12.799 1.00 53.24 ATOM 689 HD12 LEU 41 -5.296 -29.786 12.942 1.00 74.13 ATOM 690 HD13 LEU 41 -4.154 -28.470 12.677 1.00 45.41 ATOM 691 CD2 LEU 41 -4.579 -31.125 10.554 1.00 42.40 ATOM 692 HD21 LEU 41 -3.669 -31.610 10.880 1.00 2.51 ATOM 693 HD22 LEU 41 -4.664 -31.215 9.480 1.00 53.34 ATOM 694 HD23 LEU 41 -5.428 -31.604 11.022 1.00 14.21 ATOM 695 C LEU 41 -7.028 -27.636 8.712 1.00 51.44 ATOM 696 O LEU 41 -8.053 -27.730 9.386 1.00 71.30 ATOM 697 N MET 42 -6.894 -26.765 7.717 1.00 53.15 ATOM 698 HN MET 42 -6.072 -26.720 7.198 1.00 38.50 ATOM 699 CA MET 42 -7.970 -25.851 7.352 1.00 53.34 ATOM 700 HA MET 42 -8.861 -26.102 7.910 1.00 51.55 ATOM 701 CB MET 42 -7.582 -24.410 7.691 1.00 64.45 ATOM 702 HB1 MET 42 -8.238 -23.725 7.165 1.00 38.50 ATOM 703 HB2 MET 42 -6.575 -24.232 7.361 1.00 13.51 ATOM 704 CG MET 42 -7.657 -24.094 9.175 1.00 12.13 ATOM 705 HG1 MET 42 -7.127 -23.169 9.347 1.00 38.50 ATOM 706 HG2 MET 42 -7.172 -24.885 9.727 1.00 11.40 ATOM 707 SD MET 42 -9.353 -23.923 9.764 1.00 40.44 ATOM 708 CE MET 42 -9.220 -22.433 10.750 1.00 74.23 ATOM 709 HE1 MET 42 -8.202 -22.291 11.074 1.00 72.01 ATOM 710 HE2 MET 42 -9.867 -22.524 11.606 1.00 63.13 ATOM 711 HE3 MET 42 -9.534 -21.586 10.160 1.00 64.12 ATOM 712 C MET 42 -8.300 -25.965 5.867 1.00 53.33 ATOM 713 O MET 42 -7.988 -25.082 5.067 1.00 1.03 ATOM 714 N PRO 43 -8.947 -27.077 5.487 1.00 44.02 ATOM 715 CA PRO 43 -9.333 -27.332 4.096 1.00 61.01 ATOM 716 HA PRO 43 -8.488 -27.246 3.427 1.00 63.05 ATOM 717 CB PRO 43 -9.819 -28.783 4.123 1.00 31.22 ATOM 718 HB1 PRO 43 -8.996 -29.435 3.870 1.00 38.50 ATOM 719 HB2 PRO 43 -10.627 -28.942 3.420 1.00 32.23 ATOM 720 CG PRO 43 -10.258 -29.009 5.529 1.00 70.32 ATOM 721 HG1 PRO 43 -10.154 -30.053 5.783 1.00 38.50 ATOM 722 HG2 PRO 43 -11.284 -28.693 5.649 1.00 74.35 ATOM 723 CD PRO 43 -9.350 -28.171 6.386 1.00 54.01 ATOM 724 HD1 PRO 43 -8.495 -28.749 6.698 1.00 38.50 ATOM 725 HD2 PRO 43 -9.891 -27.799 7.241 1.00 44.31 ATOM 726 C PRO 43 -10.448 -26.405 3.625 1.00 74.32 ATOM 727 O PRO 43 -11.618 -26.787 3.603 1.00 1.41 ATOM 728 N GLY 44 -10.078 -25.185 3.248 1.00 74.15 ATOM 729 HN GLY 44 -9.130 -24.924 3.283 1.00 38.50 ATOM 730 CA GLY 44 -11.060 -24.223 2.781 1.00 20.25 ATOM 731 HA1 GLY 44 -11.892 -24.734 2.311 1.00 38.50 ATOM 732 HA2 GLY 44 -10.590 -23.587 2.045 1.00 62.34 ATOM 733 C GLY 44 -11.590 -23.348 3.900 1.00 74.03 ATOM 734 O GLY 44 -12.743 -23.483 4.309 1.00 52.24 ATOM 735 N ALA 45 -10.747 -22.450 4.397 1.00 43.53 ATOM 736 HN ALA 45 -9.831 -22.389 4.039 1.00 38.50 ATOM 737 CA ALA 45 -11.137 -21.549 5.474 1.00 13.12 ATOM 738 HA ALA 45 -12.199 -21.651 5.664 1.00 41.52 ATOM 739 CB ALA 45 -10.405 -21.912 6.757 1.00 20.24 ATOM 740 HB1 ALA 45 -9.343 -21.914 6.571 1.00 12.43 ATOM 741 HB2 ALA 45 -10.713 -22.897 7.077 1.00 23.24 ATOM 742 HB3 ALA 45 -10.637 -21.195 7.533 1.00 2.01 ATOM 743 C ALA 45 -10.865 -20.096 5.101 1.00 51.32 ATOM 744 O ALA 45 -10.158 -19.815 4.133 1.00 71.51 ATOM 745 N SER 46 -11.431 -19.175 5.874 1.00 14.31 ATOM 746 HN SER 46 -11.991 -19.452 6.633 1.00 38.50 ATOM 747 CA SER 46 -11.253 -17.750 5.621 1.00 12.35 ATOM 748 HA SER 46 -10.626 -17.613 4.749 1.00 43.33 ATOM 749 CB SER 46 -12.604 -17.085 5.350 1.00 34.42 ATOM 750 HB1 SER 46 -13.017 -17.491 4.438 1.00 38.50 ATOM 751 HB2 SER 46 -12.483 -16.017 5.238 1.00 31.01 ATOM 752 OG SER 46 -13.517 -17.337 6.404 1.00 33.24 ATOM 753 HG SER 46 -13.344 -16.735 7.132 1.00 32.04 ATOM 754 C SER 46 -10.568 -17.070 6.803 1.00 64.11 ATOM 755 O SER 46 -10.243 -17.713 7.800 1.00 12.25 ATOM 756 N GLY 47 -10.350 -15.764 6.682 1.00 50.14 ATOM 757 HN GLY 47 -10.605 -15.292 5.859 1.00 38.50 ATOM 758 CA GLY 47 -9.704 -15.018 7.746 1.00 53.44 ATOM 759 HA1 GLY 47 -9.601 -13.989 7.435 1.00 38.50 ATOM 760 HA2 GLY 47 -8.718 -15.428 7.921 1.00 10.31 ATOM 761 C GLY 47 -10.490 -15.058 9.041 1.00 24.04 ATOM 762 O GLY 47 -9.921 -15.264 10.113 1.00 32.13 ATOM 763 N ALA 48 -11.800 -14.859 8.944 1.00 70.22 ATOM 764 HN ALA 48 -12.200 -14.690 8.057 1.00 38.50 ATOM 765 CA ALA 48 -12.664 -14.874 10.117 1.00 35.24 ATOM 766 HA ALA 48 -12.345 -14.082 10.781 1.00 3.21 ATOM 767 CB ALA 48 -14.105 -14.597 9.715 1.00 34.00 ATOM 768 HB1 ALA 48 -14.155 -13.652 9.195 1.00 32.42 ATOM 769 HB2 ALA 48 -14.727 -14.552 10.598 1.00 45.14 ATOM 770 HB3 ALA 48 -14.459 -15.384 9.063 1.00 71.14 ATOM 771 C ALA 48 -12.566 -16.205 10.855 1.00 62.32 ATOM 772 O ALA 48 -12.660 -16.254 12.081 1.00 52.13 ATOM 773 N GLU 49 -12.376 -17.283 10.099 1.00 13.43 ATOM 774 HN GLU 49 -12.317 -17.190 9.119 1.00 38.50 ATOM 775 CA GLU 49 -12.267 -18.614 10.683 1.00 63.41 ATOM 776 HA GLU 49 -13.100 -18.757 11.359 1.00 10.13 ATOM 777 CB GLU 49 -12.318 -19.681 9.587 1.00 24.33 ATOM 778 HB1 GLU 49 -11.926 -20.617 9.972 1.00 38.50 ATOM 779 HB2 GLU 49 -11.699 -19.365 8.766 1.00 25.55 ATOM 780 CG GLU 49 -13.716 -19.938 9.052 1.00 53.20 ATOM 781 HG1 GLU 49 -13.632 -20.481 8.122 1.00 38.50 ATOM 782 HG2 GLU 49 -14.207 -18.992 8.868 1.00 53.12 ATOM 783 CD GLU 49 -14.568 -20.749 10.009 1.00 2.34 ATOM 784 OE1 GLU 49 -14.771 -21.953 9.747 1.00 14.32 ATOM 785 OE2 GLU 49 -15.031 -20.180 11.020 1.00 4.11 ATOM 786 C GLU 49 -10.975 -18.753 11.483 1.00 20.05 ATOM 787 O GLU 49 -10.923 -19.474 12.480 1.00 13.11 ATOM 788 N VAL 50 -9.933 -18.057 11.039 1.00 21.44 ATOM 789 HN VAL 50 -10.031 -17.493 10.240 1.00 38.50 ATOM 790 CA VAL 50 -8.641 -18.102 11.714 1.00 41.44 ATOM 791 HA VAL 50 -8.329 -19.138 11.782 1.00 24.13 ATOM 792 CB VAL 50 -7.569 -17.325 10.925 1.00 75.40 ATOM 793 HB VAL 50 -7.878 -16.295 10.843 1.00 40.24 ATOM 794 CG1 VAL 50 -6.238 -17.358 11.659 1.00 3.32 ATOM 795 HG11 VAL 50 -6.146 -18.289 12.200 1.00 65.33 ATOM 796 HG12 VAL 50 -6.192 -16.535 12.355 1.00 55.32 ATOM 797 HG13 VAL 50 -5.422 -17.279 10.959 1.00 52.10 ATOM 798 CG2 VAL 50 -7.427 -17.892 9.521 1.00 72.25 ATOM 799 HG21 VAL 50 -8.374 -18.226 9.139 1.00 52.32 ATOM 800 HG22 VAL 50 -6.741 -18.726 9.530 1.00 51.33 ATOM 801 HG23 VAL 50 -7.039 -17.128 8.871 1.00 41.52 ATOM 802 C VAL 50 -8.736 -17.526 13.122 1.00 30.11 ATOM 803 O VAL 50 -8.196 -18.091 14.074 1.00 72.04 ATOM 804 N LYS 51 -9.427 -16.398 13.249 1.00 22.30 ATOM 805 HN LYS 51 -9.828 -15.983 12.449 1.00 38.50 ATOM 806 CA LYS 51 -9.596 -15.745 14.542 1.00 64.23 ATOM 807 HA LYS 51 -8.616 -15.484 14.899 1.00 61.35 ATOM 808 CB LYS 51 -10.427 -14.470 14.387 1.00 13.11 ATOM 809 HB1 LYS 51 -11.481 -14.726 14.379 1.00 38.50 ATOM 810 HB2 LYS 51 -10.176 -14.010 13.440 1.00 11.31 ATOM 811 CG LYS 51 -10.179 -13.445 15.481 1.00 61.44 ATOM 812 HG1 LYS 51 -9.204 -13.002 15.333 1.00 38.50 ATOM 813 HG2 LYS 51 -10.209 -13.938 16.443 1.00 22.02 ATOM 814 CD LYS 51 -11.231 -12.349 15.468 1.00 73.54 ATOM 815 HD1 LYS 51 -11.023 -11.661 16.276 1.00 38.50 ATOM 816 HD2 LYS 51 -12.206 -12.792 15.614 1.00 22.23 ATOM 817 CE LYS 51 -11.226 -11.587 14.151 1.00 30.34 ATOM 818 HE1 LYS 51 -11.879 -12.094 13.456 1.00 38.50 ATOM 819 HE2 LYS 51 -10.221 -11.562 13.746 1.00 24.11 ATOM 820 NZ LYS 51 -11.699 -10.185 14.320 1.00 21.33 ATOM 821 HZ1 LYS 51 -11.683 -9.693 13.404 1.00 20.44 ATOM 822 HZ2 LYS 51 -11.083 -9.672 14.984 1.00 24.12 ATOM 823 HZ3 LYS 51 -12.673 -10.173 14.688 1.00 43.15 ATOM 824 C LYS 51 -10.264 -16.683 15.542 1.00 54.22 ATOM 825 O LYS 51 -10.071 -16.558 16.750 1.00 3.42 ATOM 826 N GLY 52 -11.052 -17.624 15.029 1.00 2.22 ATOM 827 HN GLY 52 -11.223 -17.667 14.065 1.00 38.50 ATOM 828 CA GLY 52 -11.736 -18.569 15.892 1.00 62.54 ATOM 829 HA1 GLY 52 -12.492 -19.079 15.313 1.00 38.50 ATOM 830 HA2 GLY 52 -12.221 -18.037 16.701 1.00 32.54 ATOM 831 C GLY 52 -10.796 -19.604 16.478 1.00 70.55 ATOM 832 O GLY 52 -10.997 -20.072 17.598 1.00 20.34 ATOM 833 N VAL 53 -9.767 -19.965 15.717 1.00 1.14 ATOM 834 HN VAL 53 -9.653 -19.559 14.827 1.00 38.50 ATOM 835 CA VAL 53 -8.793 -20.952 16.167 1.00 3.15 ATOM 836 HA VAL 53 -9.330 -21.828 16.502 1.00 43.05 ATOM 837 CB VAL 53 -7.851 -21.373 15.024 1.00 71.34 ATOM 838 HB VAL 53 -7.325 -20.496 14.671 1.00 72.11 ATOM 839 CG1 VAL 53 -6.822 -22.377 15.521 1.00 11.01 ATOM 840 HG11 VAL 53 -6.265 -22.773 14.681 1.00 62.43 ATOM 841 HG12 VAL 53 -7.318 -23.191 16.032 1.00 15.32 ATOM 842 HG13 VAL 53 -6.133 -21.894 16.197 1.00 1.30 ATOM 843 CG2 VAL 53 -8.648 -21.946 13.862 1.00 73.24 ATOM 844 HG21 VAL 53 -9.250 -22.777 14.204 1.00 54.45 ATOM 845 HG22 VAL 53 -7.963 -22.290 13.107 1.00 65.23 ATOM 846 HG23 VAL 53 -9.288 -21.183 13.446 1.00 41.33 ATOM 847 C VAL 53 -7.959 -20.413 17.325 1.00 72.32 ATOM 848 O VAL 53 -7.876 -21.034 18.385 1.00 21.50 ATOM 849 N CYS 54 -7.344 -19.255 17.115 1.00 54.24 ATOM 850 HN CYS 54 -7.444 -18.812 16.239 1.00 38.50 ATOM 851 CA CYS 54 -6.516 -18.631 18.141 1.00 71.51 ATOM 852 HA CYS 54 -5.734 -19.328 18.412 1.00 24.52 ATOM 853 CB CYS 54 -5.871 -17.355 17.599 1.00 21.13 ATOM 854 HB1 CYS 54 -5.298 -17.600 16.716 1.00 38.50 ATOM 855 HB2 CYS 54 -5.208 -16.944 18.347 1.00 41.02 ATOM 856 SG CYS 54 -7.054 -16.065 17.145 1.00 22.32 ATOM 857 HG CYS 54 -7.215 -15.270 18.193 1.00 3.44 ATOM 858 C CYS 54 -7.340 -18.311 19.384 1.00 21.40 ATOM 859 O CYS 54 -6.839 -18.374 20.508 1.00 53.35 ATOM 860 N THR 55 -8.607 -17.967 19.176 1.00 41.34 ATOM 861 HN THR 55 -8.968 -17.948 18.260 1.00 38.50 ATOM 862 CA THR 55 -9.500 -17.634 20.278 1.00 3.24 ATOM 863 HA THR 55 -8.969 -16.985 20.966 1.00 22.33 ATOM 864 CB THR 55 -10.748 -16.880 19.782 1.00 33.34 ATOM 865 HB THR 55 -11.258 -17.496 19.053 1.00 34.54 ATOM 866 OG1 THR 55 -10.363 -15.648 19.164 1.00 51.33 ATOM 867 HG1 THR 55 -11.039 -15.375 18.538 1.00 15.04 ATOM 868 CG2 THR 55 -11.703 -16.599 20.933 1.00 72.42 ATOM 869 HG21 THR 55 -12.229 -17.503 21.202 1.00 43.41 ATOM 870 HG22 THR 55 -12.420 -15.853 20.623 1.00 23.43 ATOM 871 HG23 THR 55 -11.155 -16.230 21.790 1.00 3.45 ATOM 872 C THR 55 -9.940 -18.887 21.027 1.00 50.33 ATOM 873 O THR 55 -9.937 -18.919 22.257 1.00 50.52 ATOM 874 N GLU 56 -10.317 -19.917 20.276 1.00 15.11 ATOM 875 HN GLU 56 -10.300 -19.833 19.293 1.00 38.50 ATOM 876 CA GLU 56 -10.761 -21.172 20.871 1.00 63.55 ATOM 877 HA GLU 56 -11.528 -20.943 21.587 1.00 14.43 ATOM 878 CB GLU 56 -11.314 -22.106 19.792 1.00 51.12 ATOM 879 HB1 GLU 56 -11.208 -23.137 20.107 1.00 38.50 ATOM 880 HB2 GLU 56 -10.757 -21.961 18.891 1.00 5.13 ATOM 881 CG GLU 56 -12.782 -21.870 19.478 1.00 61.53 ATOM 882 HG1 GLU 56 -13.104 -22.605 18.754 1.00 38.50 ATOM 883 HG2 GLU 56 -12.893 -20.881 19.058 1.00 33.52 ATOM 884 CD GLU 56 -13.666 -21.979 20.705 1.00 2.31 ATOM 885 OE1 GLU 56 -13.890 -23.114 21.176 1.00 50.33 ATOM 886 OE2 GLU 56 -14.133 -20.929 21.195 1.00 71.52 ATOM 887 C GLU 56 -9.616 -21.857 21.613 1.00 53.14 ATOM 888 O GLU 56 -9.799 -22.375 22.714 1.00 44.20 ATOM 889 N ALA 57 -8.437 -21.855 21.000 1.00 21.11 ATOM 890 HN ALA 57 -8.354 -21.440 20.110 1.00 38.50 ATOM 891 CA ALA 57 -7.263 -22.474 21.602 1.00 5.02 ATOM 892 HA ALA 57 -7.428 -23.542 21.636 1.00 32.34 ATOM 893 CB ALA 57 -6.032 -22.214 20.746 1.00 23.23 ATOM 894 HB1 ALA 57 -6.224 -22.546 19.737 1.00 24.20 ATOM 895 HB2 ALA 57 -5.189 -22.757 21.148 1.00 31.14 ATOM 896 HB3 ALA 57 -5.809 -21.156 20.738 1.00 43.23 ATOM 897 C ALA 57 -7.040 -21.963 23.022 1.00 64.14 ATOM 898 O ALA 57 -6.579 -22.700 23.892 1.00 64.31 ATOM 899 N GLY 58 -7.370 -20.695 23.248 1.00 24.01 ATOM 900 HN GLY 58 -7.707 -20.128 22.521 1.00 38.50 ATOM 901 CA GLY 58 -7.197 -20.107 24.564 1.00 72.33 ATOM 902 HA1 GLY 58 -7.290 -19.035 24.477 1.00 38.50 ATOM 903 HA2 GLY 58 -6.207 -20.338 24.938 1.00 13.32 ATOM 904 C GLY 58 -8.227 -20.602 25.559 1.00 33.34 ATOM 905 O GLY 58 -7.967 -20.646 26.761 1.00 13.04 ATOM 906 N MET 59 -9.401 -20.975 25.059 1.00 43.43 ATOM 907 HN MET 59 -9.557 -20.908 24.096 1.00 38.50 ATOM 908 CA MET 59 -10.474 -21.468 25.914 1.00 61.53 ATOM 909 HA MET 59 -10.678 -20.721 26.661 1.00 0.41 ATOM 910 CB MET 59 -11.741 -21.710 25.090 1.00 25.34 ATOM 911 HB1 MET 59 -12.530 -22.044 25.751 1.00 38.50 ATOM 912 HB2 MET 59 -11.543 -22.494 24.372 1.00 54.03 ATOM 913 CG MET 59 -12.211 -20.484 24.325 1.00 70.20 ATOM 914 HG1 MET 59 -12.520 -20.800 23.344 1.00 38.50 ATOM 915 HG2 MET 59 -11.412 -19.763 24.229 1.00 75.13 ATOM 916 SD MET 59 -13.617 -19.673 25.110 1.00 41.42 ATOM 917 CE MET 59 -12.938 -19.308 26.727 1.00 41.34 ATOM 918 HE1 MET 59 -12.012 -18.763 26.614 1.00 4.34 ATOM 919 HE2 MET 59 -12.751 -20.231 27.256 1.00 11.01 ATOM 920 HE3 MET 59 -13.642 -18.709 27.286 1.00 43.52 ATOM 921 C MET 59 -10.058 -22.756 26.619 1.00 15.40 ATOM 922 O MET 59 -10.183 -22.875 27.838 1.00 1.42 ATOM 923 N TYR 60 -9.565 -23.716 25.845 1.00 34.13 ATOM 924 HN TYR 60 -9.482 -23.556 24.876 1.00 38.50 ATOM 925 CA TYR 60 -9.134 -24.995 26.396 1.00 33.50 ATOM 926 HA TYR 60 -9.989 -25.463 26.859 1.00 23.21 ATOM 927 CB TYR 60 -8.623 -25.908 25.280 1.00 24.45 ATOM 928 HB1 TYR 60 -8.263 -26.834 25.715 1.00 38.50 ATOM 929 HB2 TYR 60 -7.799 -25.418 24.776 1.00 62.25 ATOM 930 CG TYR 60 -9.675 -26.254 24.251 1.00 65.41 ATOM 931 CD1 TYR 60 -9.763 -25.552 23.056 1.00 43.15 ATOM 932 HD1 TYR 60 -9.068 -24.747 22.864 1.00 1.01 ATOM 933 CD2 TYR 60 -10.580 -27.285 24.473 1.00 2.15 ATOM 934 HD2 TYR 60 -10.528 -27.844 25.397 1.00 53.04 ATOM 935 CE1 TYR 60 -10.723 -25.864 22.113 1.00 63.34 ATOM 936 HE1 TYR 60 -10.774 -25.306 21.190 1.00 64.15 ATOM 937 CE2 TYR 60 -11.542 -27.605 23.535 1.00 32.25 ATOM 938 HE2 TYR 60 -12.236 -28.410 23.727 1.00 13.54 ATOM 939 CZ TYR 60 -11.610 -26.892 22.357 1.00 1.20 ATOM 940 OH TYR 60 -12.567 -27.207 21.420 1.00 43.14 ATOM 941 HH TYR 60 -12.158 -27.652 20.672 1.00 44.50 ATOM 942 C TYR 60 -8.045 -24.797 27.446 1.00 34.41 ATOM 943 O TYR 60 -8.006 -25.500 28.456 1.00 62.15 ATOM 944 N ALA 61 -7.163 -23.834 27.200 1.00 73.42 ATOM 945 HN ALA 61 -7.236 -23.305 26.370 1.00 38.50 ATOM 946 CA ALA 61 -6.075 -23.541 28.124 1.00 50.41 ATOM 947 HA ALA 61 -5.598 -24.474 28.401 1.00 1.33 ATOM 948 CB ALA 61 -5.029 -22.668 27.447 1.00 64.13 ATOM 949 HB1 ALA 61 -5.467 -21.717 27.177 1.00 14.24 ATOM 950 HB2 ALA 61 -4.673 -23.163 26.556 1.00 21.14 ATOM 951 HB3 ALA 61 -4.200 -22.504 28.121 1.00 2.32 ATOM 952 C ALA 61 -6.595 -22.862 29.387 1.00 72.52 ATOM 953 O ALA 61 -5.973 -22.941 30.447 1.00 11.41 ATOM 954 N LEU 62 -7.738 -22.197 29.267 1.00 54.41 ATOM 955 HN LEU 62 -8.182 -22.145 28.397 1.00 38.50 ATOM 956 CA LEU 62 -8.342 -21.503 30.399 1.00 34.45 ATOM 957 HA LEU 62 -7.558 -20.988 30.944 1.00 33.24 ATOM 958 CB LEU 62 -9.363 -20.475 29.908 1.00 22.11 ATOM 959 HB1 LEU 62 -10.100 -20.309 30.689 1.00 38.50 ATOM 960 HB2 LEU 62 -9.879 -20.901 29.061 1.00 42.40 ATOM 961 CG LEU 62 -8.799 -19.115 29.495 1.00 53.01 ATOM 962 HG LEU 62 -7.870 -19.259 28.959 1.00 75.24 ATOM 963 CD1 LEU 62 -9.764 -18.398 28.564 1.00 74.04 ATOM 964 HD11 LEU 62 -10.712 -18.249 29.063 1.00 41.24 ATOM 965 HD12 LEU 62 -9.916 -18.990 27.675 1.00 75.42 ATOM 966 HD13 LEU 62 -9.353 -17.438 28.283 1.00 10.33 ATOM 967 CD2 LEU 62 -8.508 -18.264 30.722 1.00 45.51 ATOM 968 HD21 LEU 62 -9.423 -18.090 31.272 1.00 13.12 ATOM 969 HD22 LEU 62 -8.088 -17.316 30.415 1.00 61.43 ATOM 970 HD23 LEU 62 -7.799 -18.776 31.358 1.00 0.01 ATOM 971 C LEU 62 -9.015 -22.492 31.347 1.00 52.51 ATOM 972 O LEU 62 -8.852 -22.409 32.564 1.00 0.23 ATOM 973 N ARG 63 -9.770 -23.427 30.780 1.00 40.13 ATOM 974 HN ARG 63 -9.870 -23.440 29.798 1.00 38.50 ATOM 975 CA ARG 63 -10.466 -24.432 31.574 1.00 55.23 ATOM 976 HA ARG 63 -11.099 -23.920 32.287 1.00 73.31 ATOM 977 CB ARG 63 -11.345 -25.304 30.675 1.00 50.22 ATOM 978 HB1 ARG 63 -12.019 -24.663 30.125 1.00 38.50 ATOM 979 HB2 ARG 63 -11.928 -25.966 31.304 1.00 3.12 ATOM 980 CG ARG 63 -10.558 -26.135 29.675 1.00 23.45 ATOM 981 HG1 ARG 63 -9.665 -26.526 30.121 1.00 38.50 ATOM 982 HG2 ARG 63 -10.301 -25.503 28.853 1.00 34.21 ATOM 983 CD ARG 63 -11.379 -27.303 29.153 1.00 73.51 ATOM 984 HD1 ARG 63 -11.941 -27.739 29.971 1.00 38.50 ATOM 985 HD2 ARG 63 -10.702 -28.044 28.754 1.00 32.31 ATOM 986 NE ARG 63 -12.301 -26.895 28.096 1.00 11.04 ATOM 987 HE ARG 63 -12.220 -25.979 27.741 1.00 11.23 ATOM 988 CZ ARG 63 -13.236 -27.691 27.588 1.00 2.55 ATOM 989 NH1 ARG 63 -13.372 -28.930 28.038 1.00 20.24 ATOM 990 HH11 ARG 63 -12.783 -29.291 28.758 1.00 33.43 ATOM 991 HH12 ARG 63 -14.082 -29.522 27.650 1.00 15.11 ATOM 992 NH2 ARG 63 -14.037 -27.246 26.629 1.00 71.13 ATOM 993 HH21 ARG 63 -13.940 -26.310 26.285 1.00 24.12 ATOM 994 HH22 ARG 63 -14.743 -27.844 26.244 1.00 0.51 ATOM 995 C ARG 63 -9.475 -25.306 32.336 1.00 43.21 ATOM 996 O ARG 63 -9.809 -25.882 33.370 1.00 22.33 ATOM 997 N GLU 64 -8.255 -25.399 31.816 1.00 4.33 ATOM 998 HN GLU 64 -8.039 -24.944 30.972 1.00 38.50 ATOM 999 CA GLU 64 -7.215 -26.204 32.448 1.00 54.43 ATOM 1000 HA GLU 64 -7.682 -26.980 33.046 1.00 3.33 ATOM 1001 CB GLU 64 -6.341 -26.872 31.385 1.00 61.20 ATOM 1002 HB1 GLU 64 -5.481 -27.325 31.867 1.00 38.50 ATOM 1003 HB2 GLU 64 -5.997 -26.117 30.693 1.00 42.44 ATOM 1004 CG GLU 64 -7.062 -27.950 30.593 1.00 53.42 ATOM 1005 HG1 GLU 64 -7.800 -27.481 29.964 1.00 38.50 ATOM 1006 HG2 GLU 64 -7.552 -28.626 31.279 1.00 62.43 ATOM 1007 CD GLU 64 -6.125 -28.753 29.713 1.00 64.30 ATOM 1008 OE1 GLU 64 -5.719 -28.238 28.651 1.00 50.34 ATOM 1009 OE2 GLU 64 -5.796 -29.899 30.088 1.00 53.42 ATOM 1010 C GLU 64 -6.350 -25.349 33.370 1.00 75.12 ATOM 1011 O GLU 64 -5.264 -25.761 33.776 1.00 2.45 ATOM 1012 N ARG 65 -6.841 -24.157 33.695 1.00 62.41 ATOM 1013 HN ARG 65 -7.701 -23.857 33.360 1.00 38.50 ATOM 1014 CA ARG 65 -6.113 -23.244 34.567 1.00 2.31 ATOM 1015 HA ARG 65 -6.624 -22.293 34.552 1.00 51.13 ATOM 1016 CB ARG 65 -6.096 -23.778 36.001 1.00 41.15 ATOM 1017 HB1 ARG 65 -5.799 -22.972 36.657 1.00 38.50 ATOM 1018 HB2 ARG 65 -5.363 -24.573 36.084 1.00 23.35 ATOM 1019 CG ARG 65 -7.446 -24.289 36.476 1.00 51.10 ATOM 1020 HG1 ARG 65 -8.241 -23.776 35.949 1.00 38.50 ATOM 1021 HG2 ARG 65 -7.533 -24.087 37.534 1.00 22.32 ATOM 1022 CD ARG 65 -7.587 -25.786 36.248 1.00 51.34 ATOM 1023 HD1 ARG 65 -6.620 -26.269 36.317 1.00 38.50 ATOM 1024 HD2 ARG 65 -7.999 -25.944 35.266 1.00 2.31 ATOM 1025 NE ARG 65 -8.486 -26.405 37.217 1.00 15.04 ATOM 1026 HE ARG 65 -8.852 -25.838 37.936 1.00 41.33 ATOM 1027 CZ ARG 65 -8.835 -27.686 37.183 1.00 60.43 ATOM 1028 NH1 ARG 65 -8.362 -28.480 36.232 1.00 43.02 ATOM 1029 HH11 ARG 65 -7.741 -28.136 35.529 1.00 14.34 ATOM 1030 HH12 ARG 65 -8.630 -29.446 36.213 1.00 43.24 ATOM 1031 NH2 ARG 65 -9.658 -28.176 38.101 1.00 72.42 ATOM 1032 HH21 ARG 65 -10.019 -27.582 38.823 1.00 22.22 ATOM 1033 HH22 ARG 65 -9.923 -29.142 38.077 1.00 41.43 ATOM 1034 C ARG 65 -4.684 -23.042 34.071 1.00 1.54 ATOM 1035 O ARG 65 -3.770 -22.804 34.861 1.00 30.24 ATOM 1036 N ARG 66 -4.499 -23.138 32.759 1.00 52.22 ATOM 1037 HN ARG 66 -5.268 -23.261 32.158 1.00 38.50 ATOM 1038 CA ARG 66 -3.182 -22.967 32.158 1.00 22.31 ATOM 1039 HA ARG 66 -2.423 -23.182 32.905 1.00 21.32 ATOM 1040 CB ARG 66 -3.002 -23.937 30.989 1.00 64.22 ATOM 1041 HB1 ARG 66 -2.155 -23.612 30.393 1.00 38.50 ATOM 1042 HB2 ARG 66 -3.883 -23.921 30.373 1.00 74.24 ATOM 1043 CG ARG 66 -2.752 -25.373 31.421 1.00 2.33 ATOM 1044 HG1 ARG 66 -3.695 -25.816 31.707 1.00 38.50 ATOM 1045 HG2 ARG 66 -2.077 -25.382 32.267 1.00 2.40 ATOM 1046 CD ARG 66 -2.132 -26.192 30.300 1.00 34.51 ATOM 1047 HD1 ARG 66 -1.057 -26.115 30.381 1.00 38.50 ATOM 1048 HD2 ARG 66 -2.449 -25.801 29.340 1.00 50.33 ATOM 1049 NE ARG 66 -2.516 -27.600 30.375 1.00 42.32 ATOM 1050 HE ARG 66 -3.219 -27.855 31.018 1.00 10.31 ATOM 1051 CZ ARG 66 -1.972 -28.550 29.623 1.00 33.40 ATOM 1052 NH1 ARG 66 -1.026 -28.246 28.745 1.00 35.20 ATOM 1053 HH11 ARG 66 -0.705 -27.308 28.628 1.00 61.23 ATOM 1054 HH12 ARG 66 -0.621 -28.971 28.184 1.00 61.20 ATOM 1055 NH2 ARG 66 -2.374 -29.809 29.749 1.00 13.41 ATOM 1056 HH21 ARG 66 -3.088 -30.046 30.411 1.00 1.21 ATOM 1057 HH22 ARG 66 -1.965 -30.528 29.183 1.00 62.21 ATOM 1058 C ARG 66 -2.985 -21.532 31.678 1.00 61.53 ATOM 1059 O ARG 66 -3.951 -20.814 31.422 1.00 14.12 ATOM 1060 N VAL 67 -1.726 -21.122 31.557 1.00 15.55 ATOM 1061 HN VAL 67 -0.991 -21.731 31.800 1.00 38.50 ATOM 1062 CA VAL 67 -1.402 -19.773 31.107 1.00 32.14 ATOM 1063 HA VAL 67 -2.310 -19.179 31.069 1.00 10.53 ATOM 1064 CB VAL 67 -0.425 -19.078 32.074 1.00 31.44 ATOM 1065 HB VAL 67 0.490 -19.654 32.112 1.00 2.45 ATOM 1066 CG1 VAL 67 -0.086 -17.681 31.578 1.00 22.14 ATOM 1067 HG11 VAL 67 0.374 -17.109 32.375 1.00 40.11 ATOM 1068 HG12 VAL 67 -0.981 -17.172 31.247 1.00 63.34 ATOM 1069 HG13 VAL 67 0.606 -17.756 30.765 1.00 33.21 ATOM 1070 CG2 VAL 67 -1.011 -19.028 33.477 1.00 3.45 ATOM 1071 HG21 VAL 67 -1.197 -20.033 33.830 1.00 3.33 ATOM 1072 HG22 VAL 67 -1.939 -18.474 33.465 1.00 43.45 ATOM 1073 HG23 VAL 67 -0.313 -18.542 34.145 1.00 30.25 ATOM 1074 C VAL 67 -0.791 -19.792 29.711 1.00 2.00 ATOM 1075 O VAL 67 -0.869 -18.809 28.974 1.00 41.51 ATOM 1076 N HIS 68 -0.182 -20.918 29.353 1.00 71.14 ATOM 1077 HN HIS 68 -0.163 -21.681 29.962 1.00 38.50 ATOM 1078 CA HIS 68 0.442 -21.066 28.043 1.00 65.02 ATOM 1079 HA HIS 68 0.455 -20.112 27.552 1.00 41.23 ATOM 1080 CB HIS 68 1.887 -21.544 28.194 1.00 32.22 ATOM 1081 HB1 HIS 68 2.486 -20.725 28.565 1.00 38.50 ATOM 1082 HB2 HIS 68 2.276 -21.853 27.232 1.00 12.34 ATOM 1083 CG HIS 68 2.042 -22.690 29.146 1.00 74.31 ATOM 1084 ND1 HIS 68 2.596 -22.556 30.401 1.00 31.54 ATOM 1085 HD1 HIS 68 2.937 -21.724 30.790 1.00 4.23 ATOM 1086 CD2 HIS 68 1.709 -23.996 29.020 1.00 23.42 ATOM 1087 HD2 HIS 68 1.254 -24.462 28.157 1.00 50.32 ATOM 1088 CE1 HIS 68 2.599 -23.731 31.006 1.00 5.01 ATOM 1089 HE1 HIS 68 2.973 -23.929 32.000 1.00 13.32 ATOM 1090 NE2 HIS 68 2.066 -24.622 30.190 1.00 43.35 ATOM 1091 HE2 HIS 68 1.856 -25.550 30.426 1.00 38.50 ATOM 1092 C HIS 68 -0.342 -22.045 27.174 1.00 23.25 ATOM 1093 O HIS 68 -0.752 -23.110 27.637 1.00 41.02 ATOM 1094 N VAL 69 -0.547 -21.677 25.914 1.00 73.33 ATOM 1095 HN VAL 69 -0.184 -20.818 25.592 1.00 38.50 ATOM 1096 CA VAL 69 -1.282 -22.523 24.981 1.00 60.14 ATOM 1097 HA VAL 69 -1.995 -23.120 25.545 1.00 11.10 ATOM 1098 CB VAL 69 -2.075 -21.680 23.964 1.00 22.40 ATOM 1099 HB VAL 69 -1.375 -21.139 23.340 1.00 61.21 ATOM 1100 CG1 VAL 69 -2.916 -22.577 23.068 1.00 44.44 ATOM 1101 HG11 VAL 69 -3.564 -23.191 23.677 1.00 41.02 ATOM 1102 HG12 VAL 69 -2.278 -23.207 22.469 1.00 34.04 ATOM 1103 HG13 VAL 69 -3.521 -21.967 22.410 1.00 40.55 ATOM 1104 CG2 VAL 69 -2.947 -20.662 24.682 1.00 0.32 ATOM 1105 HG21 VAL 69 -3.632 -21.172 25.345 1.00 53.05 ATOM 1106 HG22 VAL 69 -3.510 -20.091 23.956 1.00 43.41 ATOM 1107 HG23 VAL 69 -2.327 -19.989 25.255 1.00 60.14 ATOM 1108 C VAL 69 -0.341 -23.456 24.227 1.00 60.12 ATOM 1109 O VAL 69 0.771 -23.073 23.862 1.00 23.31 ATOM 1110 N THR 70 -0.794 -24.684 23.995 1.00 73.21 ATOM 1111 HN THR 70 -1.695 -24.939 24.301 1.00 38.50 ATOM 1112 CA THR 70 0.007 -25.673 23.285 1.00 72.22 ATOM 1113 HA THR 70 1.020 -25.304 23.175 1.00 20.12 ATOM 1114 CB THR 70 0.080 -27.001 24.063 1.00 10.50 ATOM 1115 HB THR 70 0.795 -27.650 23.576 1.00 32.11 ATOM 1116 OG1 THR 70 -1.202 -27.638 24.067 1.00 55.42 ATOM 1117 HG1 THR 70 -1.798 -27.196 24.678 1.00 3.21 ATOM 1118 CG2 THR 70 0.539 -26.764 25.494 1.00 33.21 ATOM 1119 HG21 THR 70 0.631 -27.713 26.001 1.00 41.44 ATOM 1120 HG22 THR 70 -0.185 -26.152 26.012 1.00 52.13 ATOM 1121 HG23 THR 70 1.498 -26.265 25.492 1.00 65.05 ATOM 1122 C THR 70 -0.558 -25.943 21.895 1.00 41.22 ATOM 1123 O THR 70 -1.719 -25.644 21.619 1.00 53.22 ATOM 1124 N GLN 71 0.271 -26.510 21.024 1.00 10.31 ATOM 1125 HN GLN 71 1.194 -26.723 21.305 1.00 38.50 ATOM 1126 CA GLN 71 -0.147 -26.819 19.662 1.00 34.20 ATOM 1127 HA GLN 71 -0.321 -25.885 19.147 1.00 15.20 ATOM 1128 CB GLN 71 0.953 -27.590 18.931 1.00 43.54 ATOM 1129 HB1 GLN 71 1.262 -28.420 19.550 1.00 38.50 ATOM 1130 HB2 GLN 71 1.797 -26.935 18.782 1.00 63.24 ATOM 1131 CG GLN 71 0.516 -28.143 17.584 1.00 45.12 ATOM 1132 HG1 GLN 71 -0.066 -27.396 17.065 1.00 38.50 ATOM 1133 HG2 GLN 71 -0.090 -29.022 17.746 1.00 33.03 ATOM 1134 CD GLN 71 1.689 -28.531 16.704 1.00 33.14 ATOM 1135 OE1 GLN 71 2.819 -28.658 17.177 1.00 52.23 ATOM 1136 NE2 GLN 71 1.425 -28.723 15.417 1.00 5.40 ATOM 1137 HE21 GLN 71 0.512 -28.581 15.105 1.00 15.42 ATOM 1138 HE22 GLN 71 2.150 -29.032 14.838 1.00 64.43 ATOM 1139 C GLN 71 -1.439 -27.630 19.660 1.00 30.13 ATOM 1140 O GLN 71 -2.354 -27.355 18.885 1.00 40.11 ATOM 1141 N GLU 72 -1.505 -28.630 20.533 1.00 32.54 ATOM 1142 HN GLU 72 -0.732 -28.810 21.118 1.00 38.50 ATOM 1143 CA GLU 72 -2.685 -29.482 20.631 1.00 51.34 ATOM 1144 HA GLU 72 -2.753 -30.043 19.716 1.00 74.24 ATOM 1145 CB GLU 72 -2.548 -30.449 21.809 1.00 52.53 ATOM 1146 HB1 GLU 72 -3.177 -30.116 22.628 1.00 38.50 ATOM 1147 HB2 GLU 72 -1.521 -30.454 22.151 1.00 41.21 ATOM 1148 CG GLU 72 -2.916 -31.882 21.466 1.00 74.25 ATOM 1149 HG1 GLU 72 -2.051 -32.367 21.038 1.00 38.50 ATOM 1150 HG2 GLU 72 -3.723 -31.884 20.744 1.00 34.31 ATOM 1151 CD GLU 72 -3.362 -32.676 22.678 1.00 20.21 ATOM 1152 OE1 GLU 72 -4.584 -32.883 22.835 1.00 43.02 ATOM 1153 OE2 GLU 72 -2.490 -33.090 23.470 1.00 60.50 ATOM 1154 C GLU 72 -3.950 -28.643 20.791 1.00 4.34 ATOM 1155 O GLU 72 -5.024 -29.025 20.328 1.00 33.45 ATOM 1156 N ASP 73 -3.813 -27.498 21.451 1.00 43.22 ATOM 1157 HN ASP 73 -2.943 -27.257 21.836 1.00 38.50 ATOM 1158 CA ASP 73 -4.943 -26.603 21.673 1.00 20.50 ATOM 1159 HA ASP 73 -5.786 -27.194 22.011 1.00 0.15 ATOM 1160 CB ASP 73 -4.603 -25.577 22.754 1.00 14.44 ATOM 1161 HB1 ASP 73 -5.468 -24.955 22.941 1.00 38.50 ATOM 1162 HB2 ASP 73 -3.795 -24.964 22.413 1.00 40.02 ATOM 1163 CG ASP 73 -4.195 -26.226 24.062 1.00 65.32 ATOM 1164 OD1 ASP 73 -3.541 -25.548 24.882 1.00 72.32 ATOM 1165 OD2 ASP 73 -4.527 -27.413 24.264 1.00 31.05 ATOM 1166 C ASP 73 -5.334 -25.891 20.382 1.00 0.21 ATOM 1167 O ASP 73 -6.513 -25.641 20.131 1.00 11.34 ATOM 1168 N PHE 74 -4.337 -25.565 19.567 1.00 65.24 ATOM 1169 HN PHE 74 -3.411 -25.768 19.826 1.00 38.50 ATOM 1170 CA PHE 74 -4.576 -24.879 18.302 1.00 23.12 ATOM 1171 HA PHE 74 -5.239 -24.042 18.488 1.00 14.43 ATOM 1172 CB PHE 74 -3.259 -24.359 17.723 1.00 43.41 ATOM 1173 HB1 PHE 74 -3.342 -24.287 16.643 1.00 38.50 ATOM 1174 HB2 PHE 74 -2.464 -25.054 17.960 1.00 63.22 ATOM 1175 CG PHE 74 -2.869 -23.004 18.243 1.00 63.52 ATOM 1176 CD1 PHE 74 -2.273 -22.871 19.487 1.00 41.45 ATOM 1177 HD1 PHE 74 -2.088 -23.749 20.088 1.00 32.41 ATOM 1178 CD2 PHE 74 -3.097 -21.866 17.488 1.00 55.44 ATOM 1179 HD2 PHE 74 -3.561 -21.954 16.515 1.00 43.53 ATOM 1180 CE1 PHE 74 -1.914 -21.626 19.967 1.00 0.45 ATOM 1181 HE1 PHE 74 -1.451 -21.535 20.938 1.00 2.42 ATOM 1182 CE2 PHE 74 -2.740 -20.618 17.963 1.00 12.11 ATOM 1183 HE2 PHE 74 -2.924 -19.738 17.364 1.00 42.43 ATOM 1184 CZ PHE 74 -2.147 -20.498 19.204 1.00 23.14 ATOM 1185 HZ PHE 74 -1.872 -19.530 19.584 1.00 35.31 ATOM 1186 C PHE 74 -5.254 -25.808 17.299 1.00 3.12 ATOM 1187 O PHE 74 -6.317 -25.492 16.766 1.00 44.11 ATOM 1188 N GLU 75 -4.630 -26.955 17.048 1.00 43.41 ATOM 1189 HN GLU 75 -3.768 -27.132 17.493 1.00 38.50 ATOM 1190 CA GLU 75 -5.172 -27.929 16.108 1.00 11.40 ATOM 1191 HA GLU 75 -5.230 -27.460 15.135 1.00 72.24 ATOM 1192 CB GLU 75 -4.251 -29.147 16.014 1.00 53.03 ATOM 1193 HB1 GLU 75 -3.357 -28.855 15.481 1.00 38.50 ATOM 1194 HB2 GLU 75 -4.749 -29.926 15.446 1.00 64.54 ATOM 1195 CG GLU 75 -3.829 -29.697 17.366 1.00 41.23 ATOM 1196 HG1 GLU 75 -4.524 -29.400 18.118 1.00 38.50 ATOM 1197 HG2 GLU 75 -2.857 -29.301 17.604 1.00 63.35 ATOM 1198 CD GLU 75 -3.737 -31.210 17.377 1.00 34.33 ATOM 1199 OE1 GLU 75 -4.751 -31.869 17.063 1.00 3.03 ATOM 1200 OE2 GLU 75 -2.651 -31.736 17.700 1.00 14.13 ATOM 1201 C GLU 75 -6.573 -28.367 16.526 1.00 4.04 ATOM 1202 O GLU 75 -7.423 -28.651 15.683 1.00 30.25 ATOM 1203 N MET 76 -6.804 -28.420 17.834 1.00 2.41 ATOM 1204 HN MET 76 -6.094 -28.171 18.466 1.00 38.50 ATOM 1205 CA MET 76 -8.101 -28.823 18.365 1.00 41.42 ATOM 1206 HA MET 76 -8.367 -29.763 17.903 1.00 0.23 ATOM 1207 CB MET 76 -8.025 -28.989 19.884 1.00 51.13 ATOM 1208 HB1 MET 76 -8.954 -28.669 20.334 1.00 38.50 ATOM 1209 HB2 MET 76 -7.242 -28.358 20.271 1.00 34.32 ATOM 1210 CG MET 76 -7.747 -30.417 20.326 1.00 54.43 ATOM 1211 HG1 MET 76 -7.575 -30.420 21.392 1.00 38.50 ATOM 1212 HG2 MET 76 -6.862 -30.776 19.821 1.00 62.45 ATOM 1213 SD MET 76 -9.114 -31.535 19.961 1.00 11.21 ATOM 1214 CE MET 76 -10.440 -30.762 20.885 1.00 25.25 ATOM 1215 HE1 MET 76 -10.780 -29.882 20.360 1.00 43.13 ATOM 1216 HE2 MET 76 -10.080 -30.481 21.864 1.00 20.03 ATOM 1217 HE3 MET 76 -11.259 -31.458 20.989 1.00 43.31 ATOM 1218 C MET 76 -9.176 -27.802 18.006 1.00 11.44 ATOM 1219 O MET 76 -10.247 -28.160 17.517 1.00 42.11 ATOM 1220 N ALA 77 -8.883 -26.529 18.254 1.00 74.12 ATOM 1221 HN ALA 77 -8.009 -26.303 18.655 1.00 38.50 ATOM 1222 CA ALA 77 -9.824 -25.457 17.955 1.00 15.24 ATOM 1223 HA ALA 77 -10.713 -25.614 18.551 1.00 21.20 ATOM 1224 CB ALA 77 -9.231 -24.111 18.343 1.00 1.51 ATOM 1225 HB1 ALA 77 -8.202 -24.061 18.015 1.00 75.31 ATOM 1226 HB2 ALA 77 -9.272 -23.995 19.415 1.00 23.53 ATOM 1227 HB3 ALA 77 -9.790 -23.321 17.876 1.00 25.25 ATOM 1228 C ALA 77 -10.212 -25.461 16.481 1.00 71.24 ATOM 1229 O ALA 77 -11.337 -25.112 16.123 1.00 73.20 ATOM 1230 N VAL 78 -9.273 -25.858 15.628 1.00 41.13 ATOM 1231 HN VAL 78 -8.392 -26.129 15.969 1.00 38.50 ATOM 1232 CA VAL 78 -9.517 -25.908 14.191 1.00 24.01 ATOM 1233 HA VAL 78 -9.794 -24.914 13.861 1.00 75.22 ATOM 1234 CB VAL 78 -8.254 -26.340 13.422 1.00 21.43 ATOM 1235 HB VAL 78 -7.966 -27.323 13.757 1.00 10.01 ATOM 1236 CG1 VAL 78 -8.537 -26.417 11.930 1.00 52.02 ATOM 1237 HG11 VAL 78 -8.806 -27.433 11.683 1.00 2.01 ATOM 1238 HG12 VAL 78 -7.665 -26.135 11.359 1.00 13.20 ATOM 1239 HG13 VAL 78 -9.358 -25.773 11.682 1.00 3.04 ATOM 1240 CG2 VAL 78 -7.104 -25.386 13.707 1.00 53.51 ATOM 1241 HG21 VAL 78 -7.380 -24.385 13.408 1.00 42.43 ATOM 1242 HG22 VAL 78 -6.233 -25.696 13.148 1.00 44.34 ATOM 1243 HG23 VAL 78 -6.873 -25.395 14.745 1.00 74.33 ATOM 1244 C VAL 78 -10.654 -26.868 13.860 1.00 44.03 ATOM 1245 O VAL 78 -11.548 -26.541 13.080 1.00 32.24 ATOM 1246 N ALA 79 -10.612 -28.054 14.458 1.00 74.25 ATOM 1247 HN ALA 79 -9.866 -28.262 15.071 1.00 38.50 ATOM 1248 CA ALA 79 -11.641 -29.061 14.228 1.00 23.40 ATOM 1249 HA ALA 79 -11.722 -29.228 13.161 1.00 33.43 ATOM 1250 CB ALA 79 -11.243 -30.379 14.877 1.00 12.11 ATOM 1251 HB1 ALA 79 -11.173 -30.251 15.948 1.00 12.01 ATOM 1252 HB2 ALA 79 -10.284 -30.692 14.491 1.00 14.13 ATOM 1253 HB3 ALA 79 -11.983 -31.134 14.652 1.00 54.12 ATOM 1254 C ALA 79 -12.993 -28.596 14.757 1.00 50.21 ATOM 1255 O ALA 79 -14.041 -29.027 14.277 1.00 74.42 ATOM 1256 N LYS 80 -12.963 -27.713 15.749 1.00 3.15 ATOM 1257 HN LYS 80 -12.102 -27.415 16.115 1.00 38.50 ATOM 1258 CA LYS 80 -14.186 -27.187 16.344 1.00 21.53 ATOM 1259 HA LYS 80 -14.915 -27.987 16.399 1.00 53.33 ATOM 1260 CB LYS 80 -13.911 -26.682 17.762 1.00 14.05 ATOM 1261 HB1 LYS 80 -13.125 -25.941 17.721 1.00 38.50 ATOM 1262 HB2 LYS 80 -13.571 -27.518 18.358 1.00 55.20 ATOM 1263 CG LYS 80 -15.123 -26.054 18.430 1.00 60.25 ATOM 1264 HG1 LYS 80 -16.016 -26.594 18.148 1.00 38.50 ATOM 1265 HG2 LYS 80 -15.206 -25.032 18.089 1.00 33.04 ATOM 1266 CD LYS 80 -14.984 -26.045 19.943 1.00 72.13 ATOM 1267 HD1 LYS 80 -15.663 -25.305 20.343 1.00 38.50 ATOM 1268 HD2 LYS 80 -13.975 -25.780 20.215 1.00 43.03 ATOM 1269 CE LYS 80 -15.336 -27.398 20.543 1.00 42.32 ATOM 1270 HE1 LYS 80 -15.101 -27.377 21.597 1.00 38.50 ATOM 1271 HE2 LYS 80 -14.748 -28.168 20.063 1.00 11.43 ATOM 1272 NZ LYS 80 -16.781 -27.718 20.381 1.00 51.42 ATOM 1273 HZ1 LYS 80 -17.001 -27.906 19.384 1.00 71.21 ATOM 1274 HZ2 LYS 80 -17.373 -26.927 20.713 1.00 63.44 ATOM 1275 HZ3 LYS 80 -17.018 -28.564 20.938 1.00 62.32 ATOM 1276 C LYS 80 -14.764 -26.060 15.494 1.00 25.24 ATOM 1277 O LYS 80 -15.979 -25.875 15.435 1.00 51.34 ATOM 1278 N VAL 81 -13.884 -25.311 14.837 1.00 14.40 ATOM 1279 HN VAL 81 -12.920 -25.494 14.925 1.00 38.50 ATOM 1280 CA VAL 81 -14.307 -24.203 13.988 1.00 34.22 ATOM 1281 HA VAL 81 -15.096 -23.659 14.500 1.00 13.25 ATOM 1282 CB VAL 81 -13.147 -23.226 13.721 1.00 72.14 ATOM 1283 HB VAL 81 -12.355 -23.762 13.216 1.00 11.42 ATOM 1284 CG1 VAL 81 -13.603 -22.091 12.817 1.00 41.50 ATOM 1285 HG11 VAL 81 -14.532 -21.672 13.182 1.00 15.51 ATOM 1286 HG12 VAL 81 -13.743 -22.473 11.826 1.00 34.12 ATOM 1287 HG13 VAL 81 -12.848 -21.316 12.789 1.00 55.01 ATOM 1288 CG2 VAL 81 -12.593 -22.686 15.030 1.00 21.55 ATOM 1289 HG21 VAL 81 -12.839 -23.334 15.856 1.00 12.41 ATOM 1290 HG22 VAL 81 -13.000 -21.703 15.233 1.00 34.33 ATOM 1291 HG23 VAL 81 -11.518 -22.611 14.951 1.00 12.04 ATOM 1292 C VAL 81 -14.850 -24.708 12.656 1.00 64.22 ATOM 1293 O VAL 81 -15.841 -24.191 12.142 1.00 42.15 ATOM 1294 N MET 82 -14.193 -25.722 12.102 1.00 22.21 ATOM 1295 HN MET 82 -13.403 -26.100 12.556 1.00 38.50 ATOM 1296 CA MET 82 -14.610 -26.299 10.829 1.00 15.33 ATOM 1297 HA MET 82 -15.032 -25.514 10.213 1.00 60.10 ATOM 1298 CB MET 82 -13.407 -26.894 10.095 1.00 13.23 ATOM 1299 HB1 MET 82 -13.732 -27.301 9.146 1.00 38.50 ATOM 1300 HB2 MET 82 -12.999 -27.698 10.695 1.00 73.04 ATOM 1301 CG MET 82 -12.292 -25.892 9.845 1.00 3.02 ATOM 1302 HG1 MET 82 -11.396 -26.438 9.588 1.00 38.50 ATOM 1303 HG2 MET 82 -12.109 -25.318 10.742 1.00 70.20 ATOM 1304 SD MET 82 -12.668 -24.755 8.497 1.00 31.40 ATOM 1305 CE MET 82 -12.443 -25.826 7.079 1.00 61.02 ATOM 1306 HE1 MET 82 -11.440 -26.226 7.086 1.00 62.54 ATOM 1307 HE2 MET 82 -12.598 -25.260 6.173 1.00 23.30 ATOM 1308 HE3 MET 82 -13.154 -26.637 7.122 1.00 33.30 ATOM 1309 C MET 82 -15.673 -27.372 11.041 1.00 32.24 ATOM 1310 O MET 82 -16.519 -27.600 10.177 1.00 42.53 ATOM 1311 N GLN 83 -15.623 -28.028 12.196 1.00 30.42 ATOM 1312 HN GLN 83 -14.920 -27.830 12.852 1.00 38.50 ATOM 1313 CA GLN 83 -16.582 -29.078 12.520 1.00 65.42 ATOM 1314 HA GLN 83 -16.323 -29.478 13.488 1.00 53.43 ATOM 1315 CB GLN 83 -17.997 -28.503 12.585 1.00 34.25 ATOM 1316 HB1 GLN 83 -18.660 -29.278 12.949 1.00 38.50 ATOM 1317 HB2 GLN 83 -18.316 -28.210 11.595 1.00 72.24 ATOM 1318 CG GLN 83 -18.121 -27.294 13.499 1.00 33.50 ATOM 1319 HG1 GLN 83 -17.752 -26.424 12.977 1.00 38.50 ATOM 1320 HG2 GLN 83 -17.529 -27.459 14.388 1.00 63.51 ATOM 1321 CD GLN 83 -19.551 -27.031 13.928 1.00 73.21 ATOM 1322 OE1 GLN 83 -20.487 -27.656 13.427 1.00 42.52 ATOM 1323 NE2 GLN 83 -19.728 -26.103 14.861 1.00 55.35 ATOM 1324 HE21 GLN 83 -18.943 -25.635 15.227 1.00 54.14 ATOM 1325 HE22 GLN 83 -20.645 -25.918 15.152 1.00 52.42 ATOM 1326 C GLN 83 -16.524 -30.204 11.492 1.00 52.52 ATOM 1327 O GLN 83 -17.557 -30.696 11.036 1.00 25.34 ATOM 1328 N LYS 84 -15.311 -30.606 11.129 1.00 1.24 ATOM 1329 HN LYS 84 -14.515 -30.174 11.520 1.00 38.50 ATOM 1330 CA LYS 84 -15.117 -31.674 10.156 1.00 54.45 ATOM 1331 HA LYS 84 -16.005 -32.293 10.129 1.00 12.14 ATOM 1332 CB LYS 84 -14.871 -31.085 8.765 1.00 53.25 ATOM 1333 HB1 LYS 84 -14.458 -31.848 8.113 1.00 38.50 ATOM 1334 HB2 LYS 84 -14.153 -30.282 8.852 1.00 22.10 ATOM 1335 CG LYS 84 -16.123 -30.526 8.111 1.00 51.24 ATOM 1336 HG1 LYS 84 -15.826 -29.943 7.250 1.00 38.50 ATOM 1337 HG2 LYS 84 -16.643 -29.889 8.810 1.00 61.51 ATOM 1338 CD LYS 84 -17.057 -31.634 7.655 1.00 63.54 ATOM 1339 HD1 LYS 84 -17.381 -32.203 8.514 1.00 38.50 ATOM 1340 HD2 LYS 84 -16.526 -32.284 6.973 1.00 44.05 ATOM 1341 CE LYS 84 -18.278 -31.076 6.940 1.00 31.25 ATOM 1342 HE1 LYS 84 -18.612 -31.806 6.217 1.00 38.50 ATOM 1343 HE2 LYS 84 -18.018 -30.161 6.423 1.00 20.23 ATOM 1344 NZ LYS 84 -19.395 -30.799 7.886 1.00 61.13 ATOM 1345 HZ1 LYS 84 -19.100 -30.101 8.600 1.00 44.31 ATOM 1346 HZ2 LYS 84 -19.685 -31.674 8.370 1.00 75.12 ATOM 1347 HZ3 LYS 84 -20.213 -30.420 7.367 1.00 61.52 ATOM 1348 C LYS 84 -13.948 -32.568 10.554 1.00 33.54 ATOM 1349 O LYS 84 -13.131 -32.199 11.398 1.00 41.25 ATOM 1350 N ASP 85 -13.875 -33.745 9.943 1.00 65.35 ATOM 1351 HN ASP 85 -14.547 -33.978 9.259 1.00 38.50 ATOM 1352 CA ASP 85 -12.804 -34.692 10.232 1.00 4.21 ATOM 1353 HA ASP 85 -12.063 -34.215 10.863 1.00 23.53 ATOM 1354 CB ASP 85 -13.356 -35.908 10.977 1.00 14.10 ATOM 1355 HB1 ASP 85 -13.418 -35.670 12.029 1.00 38.50 ATOM 1356 HB2 ASP 85 -12.697 -36.758 10.850 1.00 44.20 ATOM 1357 CG ASP 85 -14.742 -36.297 10.502 1.00 55.02 ATOM 1358 OD1 ASP 85 -14.847 -37.234 9.683 1.00 12.20 ATOM 1359 OD2 ASP 85 -15.722 -35.664 10.948 1.00 35.11 ATOM 1360 C ASP 85 -12.111 -35.138 8.948 1.00 3.24 ATOM 1361 O ASP 85 -12.375 -36.224 8.434 1.00 74.24 ATOM 1362 N SER 86 -11.223 -34.291 8.436 1.00 32.30 ATOM 1363 HN SER 86 -11.046 -33.434 8.888 1.00 38.50 ATOM 1364 HA SER 86 -10.791 -35.574 6.850 1.00 21.41 ATOM 1365 CB SER 86 -10.826 -33.567 6.126 1.00 35.44 ATOM 1366 HB1 SER 86 -10.499 -33.941 5.167 1.00 38.50 ATOM 1367 HB2 SER 86 -10.322 -32.632 6.338 1.00 11.00 ATOM 1368 OG SER 86 -12.221 -33.320 6.066 1.00 24.35 ATOM 1369 HG SER 86 -12.471 -32.708 6.763 1.00 55.51 ATOM 1370 CA SER 86 -10.496 -34.596 7.210 1.00 43.05 ATOM 1371 C SER 86 -8.991 -34.620 7.462 1.00 52.41 ATOM 1372 OT1 SER 86 -8.457 -33.610 7.971 1.00 38.50 ATOM 1373 OT2 SER 86 -8.355 -35.649 7.149 1.00 38.50 ATOM 1374 OH2 TIP3 1 -15.001 -28.779 -1.758 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -14.801 -28.355 -2.593 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -14.345 -28.436 -1.151 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -14.558 -34.760 -0.322 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.424 -34.865 0.072 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -14.182 -34.001 0.125 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.086 -37.610 6.734 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.997 -36.666 6.602 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.725 -37.885 6.076 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.153 -38.355 10.153 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -20.191 -39.001 10.858 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -20.476 -38.821 9.382 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -21.764 -35.922 10.559 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -21.460 -36.608 9.965 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -21.042 -35.804 11.177 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -13.101 -44.321 11.420 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -13.052 -43.711 12.156 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -12.675 -43.860 10.697 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.623 -41.528 10.887 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -18.480 -42.475 10.907 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -18.729 -41.321 9.958 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.746 -43.296 6.560 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.100 -43.625 7.185 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -17.236 -42.778 5.937 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -12.709 -42.843 13.656 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -13.398 -42.185 13.561 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -12.694 -43.040 14.593 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -19.289 -35.009 5.777 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -19.585 -35.331 4.926 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -19.613 -34.109 5.819 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -15.982 -44.005 8.541 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -16.197 -44.771 9.073 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -15.326 -43.533 9.054 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -20.365 -38.366 4.186 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -21.077 -37.831 3.835 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -19.674 -38.310 3.526 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -16.959 -38.156 5.138 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -17.691 -37.928 5.711 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -16.512 -38.870 5.593 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -17.062 -39.982 14.206 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -16.982 -39.219 14.778 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -17.663 -39.703 13.515 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -23.947 -34.098 9.702 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -24.042 -34.676 8.945 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -23.218 -34.469 10.198 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -24.067 -34.358 15.371 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -24.379 -33.576 15.827 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -24.717 -34.511 14.685 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -18.088 -38.994 2.823 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.509 -38.844 3.570 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -17.674 -38.523 2.100 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -25.828 -32.286 16.135 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -25.820 -32.422 15.187 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -26.744 -32.404 16.387 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -13.200 -32.878 1.013 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -13.127 -31.939 1.183 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -12.295 -33.183 0.956 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -21.304 -33.073 14.867 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -21.217 -32.247 15.342 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -22.168 -33.403 15.116 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -27.236 -30.512 6.454 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -27.084 -30.860 7.333 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -28.087 -30.868 6.199 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -17.788 -30.147 1.676 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.413 -30.891 1.205 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -17.784 -30.417 2.594 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.131 -41.154 16.471 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -15.538 -40.673 15.751 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.090 -42.059 16.164 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -17.374 -42.822 14.692 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -17.888 -42.948 15.489 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -17.529 -41.910 14.447 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -19.739 -40.697 5.288 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -20.148 -39.882 4.996 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.019 -40.837 4.673 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.735 -41.251 8.102 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.930 -40.646 7.387 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.553 -42.085 7.667 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.471 -39.613 12.773 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.147 -40.244 12.130 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -19.911 -40.148 13.434 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -21.373 -40.898 9.444 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -20.809 -41.445 8.897 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -21.521 -41.420 10.233 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -22.203 -36.297 3.543 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -22.947 -36.804 3.220 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -22.337 -36.248 4.489 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -20.683 -36.113 14.780 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -21.029 -36.494 15.586 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.883 -35.179 14.851 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -20.077 -34.838 2.568 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -20.372 -34.012 2.950 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -20.780 -35.458 2.764 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -18.433 -33.651 14.730 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -19.334 -33.468 14.462 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -18.399 -33.392 15.651 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -12.702 -41.406 3.097 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -13.256 -41.802 2.425 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -12.601 -40.496 2.820 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.738 -35.606 15.934 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.590 -35.368 15.567 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.148 -35.623 15.181 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -24.703 -33.484 6.717 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -24.176 -32.711 6.516 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -25.583 -33.259 6.415 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -23.276 -35.821 6.293 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -23.517 -34.896 6.335 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -24.016 -36.280 6.689 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -22.761 -31.672 12.608 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -22.398 -30.817 12.375 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -22.229 -31.964 13.349 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -24.592 -30.799 5.838 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -25.542 -30.694 5.890 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -24.241 -29.979 6.183 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.014 -34.644 1.383 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -16.661 -35.024 2.187 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.963 -34.737 1.469 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -16.148 -35.971 3.609 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -16.425 -36.699 4.165 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.221 -35.852 3.815 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -23.986 -33.962 2.286 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -23.839 -34.482 3.076 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -23.989 -33.055 2.592 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.248 -32.264 3.035 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -22.065 -31.767 3.088 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -20.719 -31.789 2.395 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -23.910 -31.221 3.017 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -23.749 -30.421 2.516 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -24.107 -30.914 3.902 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -24.977 -31.177 18.593 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -24.209 -31.636 18.934 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -24.998 -31.403 17.663 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -20.885 -31.669 -0.032 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -21.529 -32.300 0.290 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -20.123 -32.200 -0.264 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.400 -32.797 17.322 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -18.751 -33.653 17.565 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -17.674 -32.654 17.929 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -16.281 -31.852 0.202 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -15.998 -32.646 0.655 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.541 -31.619 -0.359 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -17.277 -36.400 14.743 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -16.532 -35.812 14.623 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.034 -35.818 14.806 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -13.716 -37.372 0.073 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -13.989 -37.797 -0.740 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -13.676 -36.441 -0.144 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -22.554 -38.913 13.536 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -21.803 -39.069 12.963 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -22.893 -38.061 13.260 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -16.822 -38.309 16.642 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -17.103 -37.600 16.064 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -15.879 -38.382 16.491 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -23.208 -29.036 1.629 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -22.275 -28.878 1.773 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -23.472 -28.361 1.004 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -14.558 -34.760 18.534 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.424 -34.865 18.928 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -14.182 -34.001 18.981 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -12.595 -38.549 2.263 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -13.116 -38.192 1.544 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -12.628 -37.874 2.941 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -15.076 -39.929 6.435 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -15.226 -40.874 6.415 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.430 -39.648 7.279 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -14.220 -37.959 16.074 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -13.637 -38.693 16.265 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.656 -37.187 16.120 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -12.723 -40.056 16.758 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -13.586 -40.435 16.593 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -12.119 -40.795 16.684 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -15.366 -42.346 4.897 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -15.086 -43.253 5.022 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -14.607 -41.912 4.508 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -14.754 -41.765 10.333 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -13.821 -41.553 10.299 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -14.989 -41.663 11.256 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -14.725 -41.028 13.109 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -15.568 -40.760 13.475 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -14.282 -40.206 12.898 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -25.495 -32.123 13.348 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -25.920 -31.314 13.065 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -24.590 -32.038 13.046 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -21.184 -30.724 16.307 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.999 -31.058 17.185 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.337 -30.415 15.985 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -28.093 -28.867 13.395 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -28.813 -28.427 12.944 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -28.459 -29.118 14.244 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -25.626 -29.267 12.425 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -26.491 -29.195 12.829 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -25.681 -28.720 11.641 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -26.537 -31.534 8.961 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -26.756 -32.450 9.130 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -25.713 -31.394 9.427 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -24.000 -31.064 9.809 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.787 -31.952 9.522 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -23.935 -31.098 10.764 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -20.563 -29.810 1.874 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -19.697 -29.444 1.696 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -20.810 -30.250 1.061 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -16.447 -35.416 27.311 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -16.888 -36.136 27.761 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -16.460 -34.695 27.941 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -19.336 -30.311 27.523 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -18.716 -30.988 27.250 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -19.544 -30.529 28.431 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -15.935 -33.576 29.659 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -16.877 -33.518 29.820 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -15.659 -32.670 29.522 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -17.683 -31.795 26.284 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -17.258 -32.502 25.799 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -17.366 -30.994 25.867 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -16.524 -33.894 24.793 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -16.781 -34.584 24.181 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -16.453 -34.337 25.638 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -18.638 -33.254 30.244 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -18.879 -32.592 30.892 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -18.836 -34.088 30.669 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -20.362 -32.257 25.114 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -19.888 -31.962 25.892 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -20.925 -31.519 24.881 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.283 -32.647 34.847 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -12.332 -33.602 34.810 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -13.109 -32.379 35.249 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -20.890 -29.301 23.529 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -20.965 -29.422 22.583 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -20.857 -28.351 23.648 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -18.119 -30.221 23.281 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -19.054 -30.121 23.460 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -17.839 -30.930 23.859 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -15.001 -28.779 35.954 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -14.801 -28.355 35.119 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -14.345 -28.436 36.561 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -20.077 -34.838 21.424 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -20.372 -34.012 21.806 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -20.780 -35.458 21.620 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.406 -32.620 22.418 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.779 -33.446 22.728 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -14.129 -32.803 21.521 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -17.014 -34.644 20.239 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -16.661 -35.024 21.043 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -17.963 -34.737 20.325 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -16.558 -31.021 33.634 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -17.160 -31.576 33.139 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -16.277 -30.354 33.008 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -16.148 -35.971 22.465 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -16.425 -36.699 23.021 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -15.221 -35.852 22.671 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -21.248 -32.264 21.891 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -22.065 -31.767 21.944 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -20.719 -31.789 21.251 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -20.885 -31.669 18.824 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -21.529 -32.300 19.146 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -20.123 -32.200 18.592 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -16.281 -31.852 19.058 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -15.998 -32.646 19.511 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -15.541 -31.619 18.497 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -13.716 -37.372 18.929 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.989 -37.797 18.116 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -13.676 -36.441 18.712 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -23.208 -29.036 20.485 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -22.275 -28.878 20.629 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -23.472 -28.361 19.860 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -13.009 -30.550 32.752 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -13.496 -31.285 32.381 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -12.460 -30.943 33.430 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.257 -36.503 22.904 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -12.407 -36.082 23.032 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -13.252 -37.243 23.512 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -13.104 -35.665 29.676 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -12.270 -36.043 29.395 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -12.992 -34.722 29.557 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -14.617 -32.787 31.983 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -15.265 -32.462 32.608 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -15.135 -33.227 31.308 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -12.595 -38.549 21.119 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -13.116 -38.192 20.400 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.628 -37.874 21.797 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.915 -29.379 30.457 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -21.372 -28.850 29.803 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -20.752 -28.776 31.182 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -18.588 -30.501 31.402 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -19.492 -30.336 31.136 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -18.159 -29.648 31.336 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -15.983 -28.931 31.697 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.165 -28.015 31.486 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -15.807 -29.341 30.850 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -20.563 -29.810 20.730 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -19.697 -29.444 20.552 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -20.810 -30.250 19.917 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -14.636 -31.496 35.560 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -15.418 -31.682 35.040 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -14.708 -30.567 35.777 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -13.200 -32.878 38.725 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -13.127 -31.939 38.895 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -12.295 -33.183 38.668 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -14.406 -32.620 41.274 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -14.779 -33.446 41.584 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -14.129 -32.803 40.377 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.281 -31.852 37.914 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -15.998 -32.646 38.367 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.541 -31.619 37.353 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -13.854 -30.247 42.266 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -14.048 -30.995 41.701 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -13.893 -29.489 41.682 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -12.709 -23.987 -5.200 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.398 -23.329 -5.295 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -12.694 -24.184 -4.263 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.935 -14.720 -8.053 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -16.877 -14.662 -7.892 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.659 -13.814 -8.190 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -14.838 -16.472 -4.442 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.698 -17.063 -5.181 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -14.670 -15.599 -4.798 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -12.996 -20.132 -6.376 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.648 -19.437 -6.287 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -12.531 -19.922 -7.186 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -15.131 -22.298 -2.385 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.538 -21.817 -3.105 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.090 -23.203 -2.692 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -15.053 -18.308 -6.527 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -14.411 -17.851 -7.070 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -15.883 -18.195 -6.989 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -18.433 -14.795 -4.126 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -19.334 -14.612 -4.394 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -18.399 -14.536 -3.205 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -16.558 -12.165 -4.078 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -17.160 -12.720 -4.573 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -16.277 -11.498 -4.704 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -14.977 -24.918 -3.829 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -15.893 -24.655 -3.917 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.641 -24.921 -4.726 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -15.288 -11.911 -8.111 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -15.444 -11.233 -8.768 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -14.356 -11.839 -7.908 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -18.400 -13.941 -1.534 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -18.751 -14.797 -1.291 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -17.674 -13.798 -0.927 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -17.277 -17.544 -4.113 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -16.532 -16.956 -4.233 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -18.034 -16.962 -4.050 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -18.138 -22.242 -0.292 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -17.946 -23.173 -0.403 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -17.281 -21.817 -0.302 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -16.822 -19.453 -2.214 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -17.103 -18.744 -2.792 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -15.879 -19.526 -2.365 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -17.716 -25.957 -0.484 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -17.813 -26.909 -0.490 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -18.038 -25.688 0.377 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -12.572 -11.261 -7.882 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.594 -11.076 -6.943 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -11.882 -10.692 -8.223 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.104 -16.809 -8.036 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -12.270 -17.187 -8.317 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -12.992 -15.866 -8.155 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -14.617 -13.931 -5.729 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -15.265 -13.606 -5.104 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -15.135 -14.371 -6.404 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -14.220 -19.103 -2.782 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -13.637 -19.837 -2.591 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -13.656 -18.331 -2.736 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -12.723 -21.200 -2.098 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.586 -21.579 -2.263 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -12.119 -21.939 -2.172 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -12.442 -28.192 -0.393 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -12.092 -28.846 -0.999 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -12.295 -27.355 -0.833 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -12.922 -26.083 -2.044 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -13.839 -25.812 -2.080 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.799 -26.618 -2.828 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -18.839 -10.583 -3.305 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -18.162 -11.215 -3.545 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -18.517 -10.181 -2.497 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -18.588 -11.645 -6.310 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -19.492 -11.480 -6.576 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -18.159 -10.792 -6.376 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.983 -10.075 -6.015 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.165 -9.159 -6.226 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -15.807 -10.485 -6.862 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -17.812 -28.713 -0.845 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.736 -29.139 0.009 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.919 -28.699 -1.187 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -19.086 -18.754 6.734 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -18.997 -17.810 6.602 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -19.725 -19.029 6.076 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -20.153 -19.499 10.153 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -20.191 -20.145 10.858 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -20.476 -19.965 9.382 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -19.336 -11.455 8.667 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -18.716 -12.132 8.394 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -19.544 -11.673 9.575 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -21.764 -17.066 10.559 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -21.460 -17.752 9.965 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -21.042 -16.948 11.177 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -25.468 -24.571 8.159 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -25.425 -23.711 7.741 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -25.926 -25.123 7.526 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.746 -24.440 6.560 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -17.100 -24.769 7.185 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.236 -23.922 5.937 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -26.658 -25.653 12.233 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -26.877 -25.123 11.467 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -27.326 -25.426 12.881 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -19.289 -16.153 5.777 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -19.585 -16.475 4.926 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -19.613 -15.253 5.819 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -22.632 -28.347 9.686 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -22.749 -29.296 9.632 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -23.487 -28.015 9.959 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -17.683 -12.939 7.428 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -17.258 -13.646 6.943 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -17.366 -12.138 7.011 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -20.365 -19.510 4.186 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -21.077 -18.975 3.835 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -19.674 -19.454 3.526 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -16.959 -19.300 5.138 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -17.691 -19.072 5.711 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -16.512 -20.014 5.593 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -18.638 -14.398 11.388 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.879 -13.736 12.036 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -18.836 -15.232 11.813 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.088 -20.138 2.823 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.509 -19.988 3.570 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.674 -19.667 2.100 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -20.362 -13.401 6.258 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -19.888 -13.106 7.036 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -20.925 -12.663 6.025 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.788 -11.291 1.676 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -17.413 -12.035 1.205 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -17.784 -11.561 2.594 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -18.119 -11.365 4.425 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -19.054 -11.265 4.604 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -17.839 -12.074 5.003 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -25.363 -27.444 10.464 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -26.224 -27.531 10.056 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -25.385 -26.588 10.891 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.611 -19.105 0.453 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -16.569 -19.328 -0.477 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -15.762 -18.707 0.643 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -25.272 -22.478 11.559 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -25.914 -22.519 12.268 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -25.235 -21.552 11.321 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -19.739 -21.841 5.288 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -20.148 -21.026 4.996 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -19.019 -21.981 4.673 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -20.637 -21.666 16.776 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -21.200 -22.370 17.096 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -19.811 -21.786 17.243 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -18.735 -22.395 8.102 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -18.930 -21.790 7.387 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -18.553 -23.229 7.667 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -19.471 -20.757 12.773 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -19.147 -21.388 12.130 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -19.911 -21.292 13.434 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -22.693 -24.830 7.557 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -23.604 -24.773 7.846 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -22.188 -24.890 8.368 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -15.001 -9.923 17.098 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -14.801 -9.499 16.263 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -14.345 -9.580 17.705 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -21.373 -22.042 9.444 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -20.809 -22.589 8.897 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -21.521 -22.564 10.233 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -22.747 -23.654 11.858 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -23.582 -23.200 11.968 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -22.223 -23.378 12.610 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -18.305 -24.627 1.742 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -19.243 -24.515 1.591 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.008 -23.770 2.048 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -20.683 -17.257 14.780 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -21.029 -17.638 15.586 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.883 -16.323 14.851 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -17.587 -22.760 3.403 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.695 -22.897 3.722 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.530 -21.969 2.866 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -20.077 -15.982 2.568 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.372 -15.156 2.950 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -20.780 -16.602 2.764 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -23.053 -20.168 16.840 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -23.349 -20.334 15.945 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -22.122 -20.388 16.830 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -18.433 -14.795 14.730 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -19.334 -14.612 14.462 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.399 -14.536 15.651 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -14.406 -13.764 3.562 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -14.779 -14.590 3.872 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -14.129 -13.947 2.665 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -19.217 -16.717 12.309 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.643 -16.944 13.135 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.636 -17.455 12.126 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -17.014 -15.788 1.383 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -16.661 -16.168 2.187 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -17.963 -15.881 1.469 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -16.558 -12.165 14.778 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -17.160 -12.720 14.283 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -16.277 -11.498 14.152 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -18.917 -25.539 4.172 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.697 -25.067 3.369 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -18.359 -25.144 4.843 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.717 -23.811 5.007 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -20.905 -23.307 5.053 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -21.962 -23.956 5.921 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -20.833 -26.730 5.945 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.180 -26.112 6.590 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -20.175 -26.229 5.464 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -18.400 -13.941 17.322 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -18.751 -14.797 17.565 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -17.674 -13.798 17.929 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -16.281 -12.996 0.202 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.998 -13.790 0.655 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -15.541 -12.763 -0.359 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -19.974 -16.039 -0.205 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -20.242 -15.859 0.696 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -20.180 -16.965 -0.336 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -17.277 -17.544 14.743 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -16.532 -16.956 14.623 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -18.034 -16.962 14.806 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -24.888 -21.221 14.721 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -25.506 -20.546 15.002 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -24.544 -20.900 13.888 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -19.868 -18.750 17.999 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.915 -18.666 17.971 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -20.028 -19.461 18.618 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -24.548 -23.866 15.804 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -24.398 -24.595 15.201 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -24.546 -23.089 15.245 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -24.136 -25.496 13.296 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -23.600 -25.045 12.644 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -24.988 -25.604 12.874 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -22.554 -20.057 13.536 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -21.803 -20.213 12.963 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -22.893 -19.205 13.260 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.138 -22.242 18.564 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -17.946 -23.173 18.453 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -17.281 -21.817 18.554 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -16.822 -19.453 16.642 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -17.103 -18.744 16.064 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.879 -19.526 16.491 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -26.070 -22.668 17.715 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -26.837 -23.200 17.505 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -25.391 -22.978 17.116 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -22.066 -23.718 17.291 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -22.302 -23.938 18.193 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -22.849 -23.925 16.782 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -23.108 -28.746 16.399 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -22.396 -29.386 16.385 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -23.209 -28.479 15.485 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -22.755 -27.063 18.453 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -22.886 -27.539 17.632 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -23.354 -26.319 18.397 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -14.998 -25.045 -0.069 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -14.388 -25.417 0.568 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -15.835 -25.467 0.127 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -15.834 -11.171 6.546 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -15.181 -11.518 5.938 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -15.323 -10.682 7.192 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.839 -10.583 15.551 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.162 -11.215 15.311 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -18.517 -10.181 16.359 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -18.588 -11.645 12.546 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.492 -11.480 12.280 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -18.159 -10.792 12.480 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -15.983 -10.075 12.841 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -16.165 -9.159 12.630 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.807 -10.485 11.994 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -20.491 -26.544 8.954 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -21.166 -27.173 9.209 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.927 -27.028 8.351 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -23.585 -27.983 6.589 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -22.711 -27.595 6.559 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -23.721 -28.198 7.512 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.675 -27.927 3.931 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -17.378 -27.313 3.721 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -17.120 -28.765 4.062 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -22.441 -25.903 3.479 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -22.263 -26.549 4.162 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -22.495 -25.069 3.946 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -13.854 -11.391 4.554 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.048 -12.139 3.989 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -13.893 -10.633 3.970 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -26.234 -28.045 17.829 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -25.335 -28.319 17.644 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -26.620 -28.788 18.293 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -19.086 -18.754 25.590 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -18.997 -17.810 25.458 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -19.725 -19.029 24.932 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -20.153 -19.499 29.009 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -20.191 -20.145 29.714 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -20.476 -19.965 28.238 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -16.447 -16.560 27.311 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -16.888 -17.280 27.761 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -16.460 -15.839 27.941 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.623 -22.672 29.743 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -18.480 -23.619 29.763 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -18.729 -22.465 28.814 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.746 -24.440 25.416 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.100 -24.769 26.041 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.236 -23.922 24.793 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.289 -16.153 24.633 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.585 -16.475 23.782 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -19.613 -15.253 24.675 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.935 -14.720 29.659 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -16.877 -14.662 29.820 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.659 -13.814 29.522 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -15.635 -26.434 31.076 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.371 -25.823 31.038 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.951 -26.019 30.550 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -17.683 -12.939 26.284 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -17.258 -13.646 25.799 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.366 -12.138 25.867 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.524 -15.038 24.793 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.781 -15.728 24.181 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -16.453 -15.481 25.638 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -14.838 -16.472 33.270 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.698 -17.063 32.531 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -14.670 -15.599 32.914 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -20.365 -19.510 23.042 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -21.077 -18.975 22.691 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -19.674 -19.454 22.382 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -20.311 -21.052 20.081 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -19.610 -21.030 20.732 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -20.009 -21.680 19.425 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.062 -21.126 33.062 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -16.982 -20.363 33.634 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -17.663 -20.847 32.371 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.088 -20.138 21.679 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -17.509 -19.988 22.426 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -17.674 -19.667 20.956 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -12.283 -13.791 34.847 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -12.332 -14.746 34.810 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -13.109 -13.523 35.249 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.131 -22.298 35.327 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.538 -21.817 34.607 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -15.090 -23.203 35.020 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -17.374 -23.966 33.548 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -17.888 -24.092 34.345 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -17.529 -23.054 33.303 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -21.038 -25.229 19.979 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -21.292 -25.210 20.902 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -21.295 -26.101 19.678 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -19.739 -21.841 24.144 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -20.148 -21.026 23.852 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.019 -21.981 23.529 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -18.735 -22.395 26.958 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -18.930 -21.790 26.243 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.553 -23.229 26.523 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -24.156 -24.784 19.080 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -24.587 -25.229 19.810 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -24.874 -24.412 18.568 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -18.288 -25.595 29.677 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -18.965 -25.464 30.341 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.774 -25.750 28.867 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.053 -18.308 31.185 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.411 -17.851 30.642 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -15.883 -18.195 30.723 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -20.077 -15.982 21.424 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -20.372 -15.156 21.806 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -20.780 -16.602 21.620 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -12.738 -16.750 34.790 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -13.590 -16.512 34.423 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -12.148 -16.767 34.037 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.406 -13.764 22.418 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -14.779 -14.590 22.728 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -14.129 -13.947 21.521 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -17.246 -18.956 29.440 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -18.174 -19.188 29.413 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -16.795 -19.733 29.110 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -17.014 -15.788 20.239 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -16.661 -16.168 21.043 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -17.963 -15.881 20.325 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.510 -11.308 20.440 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -11.767 -10.722 20.300 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.205 -10.740 20.773 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -16.148 -17.115 22.465 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -16.425 -17.843 23.021 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -15.221 -16.996 22.671 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -18.917 -25.539 23.028 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.697 -25.067 22.225 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.359 -25.144 23.699 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -21.717 -23.811 23.863 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -20.905 -23.307 23.909 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -21.962 -23.956 24.777 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -20.833 -26.730 24.801 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -21.180 -26.112 25.446 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -20.175 -26.229 24.320 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -14.977 -24.918 33.883 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -15.893 -24.655 33.795 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -14.641 -24.921 32.986 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.375 -21.167 27.979 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.172 -21.582 27.650 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -15.930 -21.858 28.470 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.281 -12.996 19.058 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -15.998 -13.790 19.511 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.541 -12.763 18.497 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -23.106 -20.871 19.484 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -23.286 -21.025 18.556 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -22.155 -20.763 19.528 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -12.572 -11.261 29.830 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -12.594 -11.076 30.769 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -11.882 -10.692 29.489 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -14.617 -13.931 31.983 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -15.265 -13.606 32.608 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -15.135 -14.371 31.308 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.220 -19.103 34.930 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -13.637 -19.837 35.121 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.656 -18.331 34.976 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.723 -21.200 35.614 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -13.586 -21.579 35.449 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -12.119 -21.939 35.540 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.754 -22.909 29.189 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.821 -22.697 29.155 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.989 -22.807 30.112 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.725 -22.172 31.965 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.568 -21.904 32.331 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.282 -21.350 31.754 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -13.921 -27.993 33.487 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.734 -27.668 33.099 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.688 -28.753 32.954 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -20.491 -26.544 27.810 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -21.166 -27.173 28.065 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -19.927 -27.028 27.207 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -18.028 -27.953 27.094 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -17.952 -27.858 26.145 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -18.304 -28.861 27.223 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -22.441 -25.903 22.335 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -22.263 -26.549 23.018 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -22.495 -25.069 22.802 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.854 -11.391 23.410 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -14.048 -12.139 22.845 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.893 -10.633 22.826 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -14.390 -28.388 40.348 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -15.289 -28.249 40.643 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -14.138 -27.557 39.946 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.702 -22.550 40.809 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.256 -22.946 40.137 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.601 -21.640 40.532 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.595 -19.693 39.975 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.116 -19.336 39.256 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.628 -19.018 40.653 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.246 -22.453 38.526 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.149 -21.786 37.846 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.386 -23.269 38.044 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.998 -25.045 37.643 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.388 -25.417 38.280 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -15.835 -25.467 37.839 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -14.752 -26.227 42.658 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -14.570 -26.676 43.483 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -15.352 -26.812 42.194 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -16.675 -27.927 41.643 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -17.378 -27.313 41.433 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -17.120 -28.765 41.774 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -12.709 -5.131 -5.200 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.398 -4.473 -5.295 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -12.694 -5.328 -4.263 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.635 -7.578 -6.636 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -16.371 -6.967 -6.674 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -14.951 -7.163 -7.162 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -12.996 -1.276 -6.376 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.648 -0.581 -6.287 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -12.531 -1.066 -7.186 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -15.131 -3.442 -2.385 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.538 -2.961 -3.105 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.090 -4.347 -2.692 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.738 2.106 -2.922 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -13.590 2.344 -3.289 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -12.148 2.089 -3.675 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -14.977 -6.062 -3.829 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -15.893 -5.799 -3.917 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.641 -6.065 -4.726 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.716 -7.101 -0.484 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -17.813 -8.053 -0.490 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -18.038 -6.832 0.377 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.220 -0.247 -2.782 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.637 -0.981 -2.591 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -13.656 0.525 -2.736 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -12.723 -2.344 -2.098 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.586 -2.723 -2.263 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -12.119 -3.083 -2.172 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -12.922 -7.227 -2.044 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -13.839 -6.956 -2.080 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -12.799 -7.762 -2.828 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.921 -9.137 -4.225 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -14.734 -8.812 -4.613 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.688 -9.897 -4.758 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -17.812 -9.857 -0.845 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -17.736 -10.283 0.009 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.919 -9.843 -1.187 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.101 -6.609 11.420 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.052 -5.999 12.156 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.675 -6.148 10.697 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -12.709 -5.131 13.656 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -13.398 -4.473 13.561 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -12.694 -5.328 14.593 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.635 -7.578 12.220 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -16.371 -6.967 12.182 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -14.951 -7.163 11.694 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -14.390 -9.532 2.636 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -15.289 -9.393 2.931 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -14.138 -8.701 2.234 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.131 -3.442 16.471 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -15.538 -2.961 15.751 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -15.090 -4.347 16.164 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -17.374 -5.110 14.692 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -17.888 -5.236 15.489 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -17.529 -4.198 14.447 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -12.702 -3.694 3.097 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -13.256 -4.090 2.425 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -12.601 -2.784 2.820 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -14.977 -6.062 15.027 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -15.893 -5.799 14.939 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -14.641 -6.065 14.130 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.716 0.340 0.073 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.989 -0.085 -0.740 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -13.676 1.271 -0.144 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -17.716 -7.101 18.372 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -17.813 -8.053 18.366 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -18.038 -6.832 19.233 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -13.257 1.209 4.048 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -12.407 1.630 4.176 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -13.252 0.469 4.656 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.863 -0.738 5.872 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -13.589 -1.217 6.270 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.282 -0.532 6.604 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -12.595 -0.837 2.263 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -13.116 -0.480 1.544 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -12.628 -0.162 2.941 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -14.246 -3.597 0.814 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -14.149 -2.930 0.134 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -14.386 -4.413 0.332 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -14.998 -6.189 -0.069 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -14.388 -6.561 0.568 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -15.835 -6.611 0.127 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -14.754 -4.053 10.333 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -13.821 -3.841 10.299 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.989 -3.951 11.256 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.725 -3.316 13.109 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.568 -3.048 13.475 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -14.282 -2.494 12.898 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.442 -9.336 18.463 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -12.092 -9.990 17.857 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.295 -8.499 18.023 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -14.752 -7.371 4.946 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -14.570 -7.820 5.771 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -15.352 -7.956 4.482 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -12.922 -7.227 16.812 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -13.839 -6.956 16.776 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -12.799 -7.762 16.028 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -12.886 -7.304 1.474 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -12.473 -8.025 0.998 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -12.204 -6.634 1.532 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -15.349 -9.581 9.066 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -14.745 -9.033 8.565 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -16.218 -9.261 8.826 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -13.622 -8.442 7.400 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -13.010 -8.956 6.873 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -13.239 -7.564 7.423 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -18.028 -9.097 8.238 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -17.952 -9.002 7.289 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -18.304 -10.005 8.367 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -16.675 -9.071 3.931 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -17.378 -8.457 3.721 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -17.120 -9.909 4.062 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -17.812 -9.857 18.011 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -17.736 -10.283 18.865 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.919 -9.843 17.669 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -14.390 -9.532 21.492 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.289 -9.393 21.787 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.138 -8.701 21.090 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -14.998 -6.189 18.787 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -14.388 -6.561 19.424 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -15.835 -6.611 18.983 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -12.886 -7.304 20.330 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -12.473 -8.025 19.854 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -12.204 -6.634 20.388 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 3.855 -28.779 -1.758 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 4.055 -28.355 -2.593 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 4.511 -28.436 -1.151 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -10.718 -30.096 -1.883 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -10.178 -30.313 -1.124 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -11.199 -30.902 -2.073 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -6.121 -31.177 -0.263 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -5.353 -31.636 0.078 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -6.142 -31.403 -1.193 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 0.456 -32.797 -1.534 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 0.105 -33.653 -1.291 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 1.182 -32.654 -0.927 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -10.811 -36.286 -0.929 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -10.667 -37.188 -1.215 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -11.584 -36.000 -1.417 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -9.593 -33.098 -1.767 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -10.414 -32.923 -2.227 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -9.845 -33.171 -0.846 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -1.297 -38.355 10.153 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -1.335 -39.001 10.858 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -1.620 -38.821 9.382 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -8.929 -38.740 11.746 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -8.887 -39.366 12.470 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -8.226 -38.117 11.928 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 2.409 -35.416 8.455 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 1.968 -36.136 8.905 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 2.396 -34.695 9.085 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -11.395 -40.630 5.674 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -11.843 -39.784 5.656 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -11.956 -41.210 5.159 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -2.908 -35.922 10.559 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -2.604 -36.608 9.965 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -2.186 -35.804 11.177 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -9.992 -41.030 8.921 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -9.338 -41.580 9.353 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -9.968 -41.304 8.005 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -4.836 -39.480 8.137 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -4.220 -40.006 8.646 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -5.422 -40.120 7.733 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -0.433 -35.009 5.777 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -0.729 -35.331 4.926 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -0.757 -34.109 5.819 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -5.233 -36.833 12.521 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -5.973 -36.235 12.624 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -4.519 -36.279 12.205 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.208 -42.617 10.186 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.595 -41.984 10.559 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -7.696 -43.089 9.529 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -6.825 -34.869 13.308 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -6.831 -33.990 12.930 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -7.679 -34.952 13.733 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 2.921 -33.576 10.803 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 1.979 -33.518 10.964 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 3.197 -32.670 10.666 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 2.332 -33.894 5.937 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 2.075 -34.584 5.325 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 2.403 -34.337 6.782 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 4.018 -35.328 14.414 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 4.158 -35.919 13.675 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 4.186 -34.455 14.058 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -1.509 -38.366 4.186 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -2.221 -37.831 3.835 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -0.818 -38.310 3.526 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -6.091 -38.757 10.654 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -5.526 -38.636 9.891 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -5.772 -38.120 11.293 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -8.291 -38.160 14.600 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -8.221 -37.509 15.298 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -9.182 -38.057 14.265 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 5.656 -32.878 1.013 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 5.729 -31.939 1.183 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 6.561 -33.183 0.956 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 6.573 -32.647 15.991 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 6.524 -33.602 15.954 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 5.747 -32.379 16.393 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -9.126 -34.770 14.468 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -8.909 -35.131 15.328 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -9.981 -35.144 14.258 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -6.416 -41.334 11.559 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -7.058 -41.375 12.268 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -6.379 -40.408 11.321 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -6.419 -41.113 6.471 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -7.312 -41.454 6.412 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -5.968 -41.490 5.715 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -8.666 -41.014 13.426 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -8.704 -40.614 14.294 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -9.157 -41.831 13.516 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -12.058 -43.898 7.276 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -11.427 -43.927 7.996 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -11.608 -44.323 6.546 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -0.615 -39.613 12.773 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -0.291 -40.244 12.130 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -1.055 -40.148 13.434 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -9.009 -42.057 6.384 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -9.898 -41.957 6.044 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -8.713 -42.899 6.038 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -5.356 -42.057 4.040 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -4.424 -41.928 4.218 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -5.571 -41.387 3.391 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -6.682 -40.862 1.607 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -7.224 -41.242 0.916 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -5.848 -40.668 1.178 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -8.547 -36.305 16.706 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -7.814 -36.051 17.267 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -9.327 -36.101 17.221 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -3.347 -36.297 3.543 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -4.091 -36.804 3.220 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -3.481 -36.248 4.489 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 3.803 -37.164 12.329 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 4.445 -36.707 11.786 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 2.973 -37.051 11.867 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -1.827 -36.113 14.780 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -2.173 -36.494 15.586 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -2.027 -35.179 14.851 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -1.221 -34.838 2.568 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -1.516 -34.012 2.950 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.924 -35.458 2.764 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -11.214 -38.541 14.627 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -10.991 -38.959 15.459 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -11.816 -39.154 14.205 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -4.197 -39.024 16.840 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -4.493 -39.190 15.945 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -3.266 -39.244 16.830 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 6.118 -35.606 15.934 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 5.266 -35.368 15.567 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 6.708 -35.623 15.181 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 4.450 -32.620 3.562 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 4.077 -33.446 3.872 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 4.727 -32.803 2.665 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 1.610 -37.812 10.584 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 0.682 -38.044 10.557 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 2.061 -38.589 10.254 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -10.092 -38.622 1.304 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -9.476 -37.995 1.683 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -10.954 -38.306 1.575 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -4.420 -35.821 6.293 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -4.661 -34.896 6.335 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -5.160 -36.280 6.689 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 1.842 -34.644 1.383 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 2.195 -35.024 2.187 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 0.893 -34.737 1.469 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 6.346 -30.164 1.584 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 7.089 -29.578 1.444 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 5.651 -29.596 1.917 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 2.708 -35.971 3.609 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 2.431 -36.699 4.165 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 3.635 -35.852 3.815 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -5.130 -33.962 2.286 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -4.983 -34.482 3.076 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -5.133 -33.055 2.592 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -8.677 -36.709 2.796 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -9.363 -36.357 3.363 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -8.154 -35.946 2.550 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -2.392 -32.264 3.035 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -3.209 -31.767 3.088 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -1.863 -31.789 2.395 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -5.054 -31.221 3.017 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -4.893 -30.421 2.516 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -5.251 -30.914 3.902 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -8.061 -34.095 1.693 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -7.469 -33.396 1.969 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -7.602 -34.528 0.974 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -2.029 -31.669 -0.032 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -2.673 -32.300 0.290 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -1.267 -32.200 -0.264 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 2.575 -31.852 0.202 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.858 -32.646 0.655 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 3.315 -31.619 -0.359 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -10.811 -36.286 17.927 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -10.667 -37.188 17.641 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -11.584 -36.000 17.439 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -6.470 -35.942 0.059 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -6.406 -36.736 0.590 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -5.817 -36.061 -0.630 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -4.156 -36.316 17.360 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -4.484 -36.045 16.502 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -4.004 -37.257 17.272 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 1.579 -36.400 14.743 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 2.324 -35.812 14.623 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 0.822 -35.818 14.806 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -9.979 -39.086 17.347 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -9.571 -39.943 17.226 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -10.239 -39.071 18.268 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -5.321 -37.970 2.365 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -5.780 -38.454 3.051 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.066 -38.638 1.729 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -1.012 -37.606 17.999 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -0.059 -37.522 17.971 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -1.172 -38.317 18.618 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -3.698 -38.913 13.536 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -2.947 -39.069 12.963 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -4.037 -38.061 13.260 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 2.034 -38.309 16.642 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 1.753 -37.600 16.064 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 2.977 -38.382 16.491 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -4.352 -29.036 1.629 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -3.419 -28.878 1.773 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -4.616 -28.361 1.004 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.784 -34.400 1.112 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -9.870 -34.321 1.385 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.777 -35.087 0.445 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 4.298 -34.760 18.534 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 3.432 -34.865 18.928 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 4.674 -34.001 18.981 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 5.752 -35.665 10.820 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 6.586 -36.043 10.539 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 5.864 -34.722 10.701 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 4.239 -32.787 13.127 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.591 -32.462 13.752 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.721 -33.227 12.452 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -12.062 -41.269 10.546 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -11.570 -41.490 9.756 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -11.700 -40.428 10.827 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -1.707 -29.810 1.874 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -0.841 -29.444 1.696 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -1.954 -30.250 1.061 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 5.002 -30.247 4.554 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 4.808 -30.995 3.989 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 4.963 -29.489 3.970 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -0.230 -37.610 25.590 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -0.141 -36.666 25.458 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -0.869 -37.885 24.932 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -1.297 -38.355 29.009 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -1.335 -39.001 29.714 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -1.620 -38.821 28.238 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 2.409 -35.416 27.311 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 1.968 -36.136 27.761 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 2.396 -34.695 27.941 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -8.005 -34.290 29.137 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -8.375 -35.092 28.768 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -7.064 -34.459 29.184 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -2.908 -35.922 29.415 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -2.604 -36.608 28.821 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -2.186 -35.804 30.033 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -4.836 -39.480 26.993 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.220 -40.006 27.502 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -5.422 -40.120 26.589 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -5.233 -36.833 31.377 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -5.973 -36.235 31.480 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -4.519 -36.279 31.061 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -6.825 -34.869 32.164 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -6.831 -33.990 31.786 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -7.679 -34.952 32.589 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -10.704 -35.198 22.946 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -10.976 -34.969 22.057 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -10.659 -34.360 23.406 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 2.921 -33.576 29.659 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 1.979 -33.518 29.820 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 3.197 -32.670 29.522 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 1.173 -31.795 26.284 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 1.598 -32.502 25.799 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 1.490 -30.994 25.867 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 2.332 -33.894 24.793 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 2.075 -34.584 24.181 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 2.403 -34.337 25.638 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -1.509 -38.366 23.042 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -2.221 -37.831 22.691 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -0.818 -38.310 22.382 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -1.455 -39.908 20.081 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -0.754 -39.886 20.732 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -1.153 -40.536 19.425 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 1.897 -38.156 23.994 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 1.165 -37.928 24.567 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 2.344 -38.870 24.449 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -6.458 -37.526 25.877 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -6.788 -37.896 25.058 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -5.870 -38.196 26.223 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -5.091 -34.098 28.558 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -5.186 -34.676 27.801 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -4.362 -34.469 29.054 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 0.218 -33.254 30.244 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -0.023 -32.592 30.892 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 0.020 -34.088 30.669 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -5.211 -34.358 34.227 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -5.523 -33.576 34.683 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -5.861 -34.511 33.541 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 0.768 -38.994 21.679 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 1.347 -38.844 22.426 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 1.182 -38.523 20.956 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -6.972 -32.286 34.991 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -6.964 -32.422 34.043 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -7.888 -32.404 35.243 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -7.468 -38.456 23.466 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.760 -37.688 22.975 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -8.142 -39.116 23.303 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 5.656 -32.878 19.869 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 5.729 -31.939 20.039 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 6.561 -33.183 19.812 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -11.624 -33.313 29.165 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -10.678 -33.457 29.146 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -11.737 -32.529 29.702 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -2.448 -33.073 33.723 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -2.361 -32.247 34.198 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -3.312 -33.403 33.972 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -9.126 -34.770 33.324 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -8.909 -35.131 34.184 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -9.981 -35.144 33.114 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 2.245 -37.961 19.309 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 2.287 -38.184 18.379 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 3.094 -37.563 19.499 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -0.883 -40.697 24.144 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -1.292 -39.882 23.852 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -0.163 -40.837 23.529 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 3.855 -28.779 35.954 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 4.055 -28.355 35.119 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 4.511 -28.436 36.561 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -8.547 -36.305 35.562 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -7.814 -36.051 36.123 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -9.327 -36.101 36.077 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -1.827 -36.113 33.636 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -2.173 -36.494 34.442 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -2.027 -35.179 33.707 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -8.222 -37.002 28.168 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -7.477 -37.004 27.567 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -8.144 -37.826 28.650 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 0.423 -33.651 33.586 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -0.478 -33.468 33.318 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 0.457 -33.392 34.507 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 4.450 -32.620 22.418 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 4.077 -33.446 22.728 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 4.727 -32.803 21.521 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -10.092 -38.622 20.160 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -9.476 -37.995 20.539 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -10.954 -38.306 20.431 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -0.361 -35.573 31.165 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -0.787 -35.800 31.991 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 0.220 -36.311 30.982 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 1.842 -34.644 20.239 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 2.195 -35.024 21.043 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 0.893 -34.737 20.325 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 2.298 -31.021 33.634 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 1.696 -31.576 33.139 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 2.579 -30.354 33.008 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 6.346 -30.164 20.440 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 7.089 -29.578 20.300 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 5.651 -29.596 20.773 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 2.708 -35.971 22.465 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 2.431 -36.699 23.021 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 3.635 -35.852 22.671 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -9.929 -31.983 31.476 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -9.712 -32.915 31.445 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -9.682 -31.709 32.360 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -8.677 -36.709 21.652 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.363 -36.357 22.219 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -8.154 -35.946 21.406 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 3.568 -30.767 29.601 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 3.412 -30.089 28.944 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 4.500 -30.695 29.804 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -10.007 -32.709 24.499 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -10.839 -32.236 24.526 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -9.461 -32.199 23.900 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 0.456 -32.797 36.178 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.105 -33.653 36.421 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 1.182 -32.654 36.785 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -6.470 -35.942 18.915 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -6.406 -36.736 19.446 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -5.817 -36.061 18.226 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -5.321 -37.970 21.221 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -5.780 -38.454 21.907 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -5.066 -38.638 20.585 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -4.250 -39.727 19.484 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -4.430 -39.881 18.556 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -3.299 -39.619 19.528 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 6.284 -30.117 29.830 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 6.262 -29.932 30.769 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 6.974 -29.548 29.489 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 5.847 -30.550 32.752 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 5.360 -31.285 32.381 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 6.396 -30.943 33.430 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 4.239 -32.787 31.983 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 3.591 -32.462 32.608 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 3.721 -33.227 31.308 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 3.022 -30.027 25.402 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 3.675 -30.374 24.794 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 3.533 -29.538 26.048 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.593 -33.098 35.945 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -10.414 -32.923 35.485 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -9.845 -33.171 36.866 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -2.328 -30.724 35.163 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -2.143 -31.058 36.041 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -1.481 -30.415 34.841 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 0.017 -29.439 34.407 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 0.694 -30.071 34.167 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 0.339 -29.037 35.215 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 2.873 -28.931 31.697 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.691 -28.015 31.486 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.049 -29.341 30.850 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 5.002 -30.247 23.410 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 4.808 -30.995 22.845 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 4.963 -29.489 22.826 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -8.380 -30.512 44.166 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -8.228 -30.860 45.045 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -9.231 -30.868 43.911 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -5.736 -30.799 43.550 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -6.686 -30.694 43.602 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -5.385 -29.979 43.895 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -4.067 -33.532 37.542 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -3.828 -34.280 36.994 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -4.336 -33.920 38.374 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -5.130 -33.962 39.998 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -4.983 -34.482 40.788 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -5.133 -33.055 40.304 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -5.054 -31.221 40.729 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -4.893 -30.421 40.228 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -5.251 -30.914 41.614 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.061 -34.095 39.405 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -7.469 -33.396 39.681 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -7.602 -34.528 38.686 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -10.007 -32.709 43.355 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -10.839 -32.236 43.382 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -9.461 -32.199 42.756 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -2.029 -31.669 37.680 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -2.673 -32.300 38.002 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -1.267 -32.200 37.448 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -6.470 -35.942 37.771 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -6.406 -36.736 38.302 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -5.817 -36.061 37.082 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -4.352 -29.036 39.341 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -3.419 -28.878 39.485 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -4.616 -28.361 38.716 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -10.784 -34.400 38.824 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -9.870 -34.321 39.097 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -10.777 -35.087 38.157 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -12.135 -29.007 43.901 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -12.782 -29.469 43.368 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -11.780 -29.679 44.484 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -10.571 -31.020 41.189 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -11.256 -31.058 40.521 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -10.568 -30.107 41.477 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -1.707 -29.810 39.586 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -0.841 -29.444 39.408 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -1.954 -30.250 38.773 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -1.297 -19.499 -8.703 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.335 -20.145 -7.998 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.620 -19.965 -9.474 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -8.929 -19.884 -7.110 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -8.887 -20.510 -6.386 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -8.226 -19.261 -6.928 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -8.005 -15.434 -8.575 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -8.375 -16.236 -8.944 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -7.064 -15.603 -8.528 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -10.685 -19.612 -11.056 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -10.471 -20.382 -10.529 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -9.947 -19.523 -11.659 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -2.908 -17.066 -8.297 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -2.604 -17.752 -8.891 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -2.186 -16.948 -7.679 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 0.233 -22.672 -7.969 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 0.376 -23.619 -7.949 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 0.127 -22.465 -8.898 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -9.992 -22.174 -9.935 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -9.338 -22.724 -9.503 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -9.968 -22.448 -10.851 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -4.836 -20.624 -10.719 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -4.220 -21.150 -10.210 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -5.422 -21.264 -11.123 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 4.018 -16.472 -4.442 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 4.158 -17.063 -5.181 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 4.186 -15.599 -4.798 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 5.860 -20.132 -6.376 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 5.208 -19.437 -6.287 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 6.325 -19.922 -7.186 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 1.794 -21.126 -4.650 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 1.874 -20.363 -4.078 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 1.193 -20.847 -5.341 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -6.458 -18.670 -11.835 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.788 -19.040 -12.654 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -5.870 -19.340 -11.489 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -5.091 -15.242 -9.154 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -5.186 -15.820 -9.911 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -4.362 -15.613 -8.658 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -6.091 -19.901 -8.202 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -5.526 -19.780 -8.965 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -5.772 -19.264 -7.563 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.218 -14.398 -7.468 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -0.023 -13.736 -6.820 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 0.020 -15.232 -7.043 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -11.624 -14.457 -8.547 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -10.678 -14.601 -8.566 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -11.737 -13.673 -8.010 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 6.573 -13.791 -2.865 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 6.524 -14.746 -2.902 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 5.747 -13.523 -2.463 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 3.725 -22.298 -2.385 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 3.318 -21.817 -3.105 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 3.766 -23.203 -2.692 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 1.482 -23.966 -4.164 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.968 -24.092 -3.367 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 1.327 -23.054 -4.409 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -6.416 -22.478 -7.297 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -7.058 -22.519 -6.588 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -6.379 -21.552 -7.535 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -8.666 -22.158 -5.430 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -8.704 -21.758 -4.562 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -9.157 -22.975 -5.340 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -0.615 -20.757 -6.083 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -0.291 -21.388 -6.726 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -1.055 -21.292 -5.422 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 3.855 -9.923 -1.758 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 4.055 -9.499 -2.593 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 4.511 -9.580 -1.151 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -3.891 -23.654 -6.998 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -4.726 -23.200 -6.888 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -3.367 -23.378 -6.246 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 3.803 -18.308 -6.527 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 4.445 -17.851 -7.070 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.973 -18.195 -6.989 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -8.222 -18.146 -9.544 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -7.477 -18.148 -10.145 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -8.144 -18.970 -9.062 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 0.423 -14.795 -4.126 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -0.478 -14.612 -4.394 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 0.457 -14.536 -3.205 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 6.118 -16.750 -2.922 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 5.266 -16.512 -3.289 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 6.708 -16.767 -3.675 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 1.610 -18.956 -8.272 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 0.682 -19.188 -8.299 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 2.061 -19.733 -8.602 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -0.361 -16.717 -6.547 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -0.787 -16.944 -5.721 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 0.220 -17.455 -6.730 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.298 -12.165 -4.078 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 1.696 -12.720 -4.573 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 2.579 -11.498 -4.704 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -9.580 -24.932 -4.671 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -10.473 -24.593 -4.738 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -9.679 -25.787 -4.253 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -0.845 -25.191 -5.781 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.147 -25.117 -5.131 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -1.226 -26.055 -5.626 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -2.325 -22.825 -4.664 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -2.206 -22.251 -3.907 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -1.670 -23.513 -4.549 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 3.879 -24.918 -3.829 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 2.963 -24.655 -3.917 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 4.215 -24.921 -4.726 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 0.456 -13.941 -1.534 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 0.105 -14.797 -1.291 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 1.182 -13.798 -0.927 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -6.032 -21.221 -4.135 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -6.650 -20.546 -3.854 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -5.688 -20.900 -4.968 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -5.692 -23.866 -3.052 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.542 -24.595 -3.655 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -5.690 -23.089 -3.611 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -5.280 -25.496 -5.560 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -4.744 -25.045 -6.212 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -6.132 -25.604 -5.982 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -7.214 -22.668 -1.141 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -7.981 -23.200 -1.351 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.535 -22.978 -1.740 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -3.210 -23.718 -1.565 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -3.446 -23.938 -0.663 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -3.993 -23.925 -2.074 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -0.494 -24.591 -2.489 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -1.442 -24.559 -2.357 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -0.182 -25.216 -1.835 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 1.140 -25.957 -0.484 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 1.043 -26.909 -0.490 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 0.818 -25.688 0.377 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -9.033 -24.747 -1.436 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -8.822 -25.454 -2.047 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -9.145 -25.185 -0.592 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -3.899 -27.063 -0.403 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -4.030 -27.539 -1.224 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -4.498 -26.319 -0.459 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -11.265 -12.070 -10.862 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -11.599 -12.951 -10.690 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -11.043 -11.725 -9.998 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 4.239 -13.931 -5.729 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 3.591 -13.606 -5.104 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 3.721 -14.371 -6.404 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -11.185 -18.995 -8.411 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -11.001 -19.077 -9.346 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -10.336 -19.119 -7.987 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 4.636 -19.103 -2.782 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 5.219 -19.837 -2.591 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 5.200 -18.331 -2.736 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 6.133 -21.200 -2.098 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 5.270 -21.579 -2.263 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 6.737 -21.939 -2.172 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 4.131 -22.172 -5.747 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.288 -21.904 -5.381 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 4.574 -21.350 -5.958 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -11.587 -23.724 -2.270 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -10.668 -23.846 -2.034 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -12.037 -24.474 -1.881 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 6.414 -28.192 -0.393 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 6.764 -28.846 -0.999 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 6.561 -27.355 -0.833 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 5.934 -26.083 -2.044 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 5.017 -25.812 -2.080 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 6.057 -26.618 -2.828 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 0.017 -10.583 -3.305 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 0.694 -11.215 -3.545 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 0.339 -10.181 -2.497 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -2.059 -10.523 -7.255 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -2.516 -9.994 -7.909 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -1.896 -9.920 -6.530 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 0.268 -11.645 -6.310 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -0.636 -11.480 -6.576 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 0.697 -10.792 -6.376 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 2.873 -10.075 -6.015 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 2.691 -9.159 -6.226 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 3.049 -10.485 -6.862 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -9.822 -11.388 -8.550 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -9.841 -11.813 -7.693 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -9.017 -11.706 -8.959 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -7.681 -12.678 -9.895 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -7.900 -13.594 -9.726 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -6.857 -12.538 -9.429 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -5.144 -12.208 -9.047 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -4.931 -13.096 -9.334 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -5.079 -12.242 -8.092 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -9.351 -27.396 -2.563 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.717 -28.161 -2.120 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -8.438 -27.367 -2.276 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -7.378 -28.045 -1.027 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -6.479 -28.319 -1.212 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -7.764 -28.788 -0.563 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 1.044 -28.713 -0.845 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 1.120 -29.139 0.009 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 1.937 -28.699 -1.187 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 4.220 -12.640 -2.152 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 3.438 -12.826 -2.672 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 4.148 -11.711 -1.935 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 1.068 -11.291 1.676 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 1.443 -12.035 1.205 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 1.072 -11.561 2.594 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 0.737 -11.365 4.425 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -0.198 -11.265 4.604 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 1.017 -12.074 5.003 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -5.300 -24.784 0.224 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -5.731 -25.229 0.954 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -6.018 -24.412 -0.288 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 6.346 -11.308 1.584 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 7.089 -10.722 1.444 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 5.651 -10.740 1.917 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 2.575 -12.996 0.202 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 2.858 -13.790 0.655 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 3.315 -12.763 -0.359 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -12.135 -10.151 6.189 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -12.782 -10.613 5.656 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -11.780 -10.823 6.772 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 4.610 -22.453 0.814 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 4.707 -21.786 0.134 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 4.470 -23.269 0.332 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 3.858 -25.045 -0.069 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 4.468 -25.417 0.568 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 3.021 -25.467 0.127 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 5.002 -11.391 4.554 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 4.808 -12.139 3.989 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 4.963 -10.633 3.970 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 4.018 -16.472 33.270 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 4.158 -17.063 32.531 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 4.186 -15.599 32.914 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 5.860 -20.132 31.336 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 5.208 -19.437 31.425 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 6.325 -19.922 30.526 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -5.091 -15.242 28.558 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -5.186 -15.820 27.801 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -4.362 -15.613 29.054 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.211 -15.502 34.227 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -5.523 -14.720 34.683 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.861 -15.655 33.541 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -6.972 -13.430 34.991 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -6.964 -13.566 34.043 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -7.888 -13.548 35.243 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -11.624 -14.457 29.165 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -10.678 -14.601 29.146 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -11.737 -13.673 29.702 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -2.448 -14.217 33.723 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -2.361 -13.391 34.198 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -3.312 -14.547 33.972 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -8.380 -11.656 25.310 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -8.228 -12.004 26.189 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -9.231 -12.012 25.055 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 3.725 -22.298 35.327 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 3.318 -21.817 34.607 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 3.766 -23.203 35.020 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -8.547 -17.449 35.562 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -7.814 -17.195 36.123 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -9.327 -17.245 36.077 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 6.118 -16.750 34.790 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 5.266 -16.512 34.423 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 6.708 -16.767 34.037 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -3.905 -12.816 31.464 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -3.542 -11.961 31.231 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -3.373 -13.108 32.205 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -5.736 -11.943 24.694 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -6.686 -11.838 24.746 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -5.385 -11.123 25.039 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 2.298 -12.165 33.634 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 1.696 -12.720 33.139 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 2.579 -11.498 33.008 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 6.346 -11.308 20.440 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 7.089 -10.722 20.300 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 5.651 -10.740 20.773 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -9.929 -13.127 31.476 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -9.712 -14.059 31.445 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -9.682 -12.853 32.360 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 3.568 -11.911 29.601 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 3.412 -11.233 28.944 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 4.500 -11.839 29.804 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -10.007 -13.853 24.499 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -10.839 -13.380 24.526 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -9.461 -13.343 23.900 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 0.456 -13.941 36.178 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 0.105 -14.797 36.421 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 1.182 -13.798 36.785 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -10.811 -17.430 36.783 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -10.667 -18.332 36.497 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -11.584 -17.144 36.295 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -4.156 -17.460 36.216 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -4.484 -17.189 35.358 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -4.004 -18.401 36.128 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -9.979 -20.230 36.203 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -9.571 -21.087 36.082 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -10.239 -20.215 37.124 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 0.718 -22.242 37.420 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 0.910 -23.173 37.309 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 1.575 -21.817 37.410 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 1.140 -25.957 37.228 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 1.043 -26.909 37.222 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 0.818 -25.688 38.089 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -3.899 -27.063 37.309 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -4.030 -27.539 36.488 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -4.498 -26.319 37.253 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -12.135 -10.151 25.045 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -12.782 -10.613 24.512 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -11.780 -10.823 25.628 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -11.265 -12.070 26.850 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -11.599 -12.951 27.022 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -11.043 -11.725 27.714 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 6.284 -11.261 29.830 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 6.262 -11.076 30.769 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 6.974 -10.692 29.489 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 5.847 -11.694 32.752 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 5.360 -12.429 32.381 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 6.396 -12.087 33.430 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 4.298 -15.904 37.390 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 3.432 -16.009 37.784 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 4.674 -15.145 37.837 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 5.752 -16.809 29.676 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 6.586 -17.187 29.395 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 5.864 -15.866 29.557 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 4.239 -13.931 31.983 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 3.591 -13.606 32.608 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 3.721 -14.371 31.308 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 4.636 -19.103 34.930 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 5.219 -19.837 35.121 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 5.200 -18.331 34.976 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 6.133 -21.200 35.614 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 5.270 -21.579 35.449 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 6.737 -21.939 35.540 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 5.934 -26.083 35.668 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 5.017 -25.812 35.632 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 6.057 -26.618 34.884 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -9.593 -14.242 35.945 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -10.414 -14.067 35.485 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -9.845 -14.315 36.866 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -6.639 -13.267 32.204 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -7.064 -12.458 31.921 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -5.734 -13.182 31.902 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -2.328 -11.868 35.163 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -2.143 -12.202 36.041 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -1.481 -11.559 34.841 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 0.017 -10.583 34.407 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 0.694 -11.215 34.167 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 0.339 -10.181 35.215 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 4.935 -27.993 33.487 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 4.122 -27.668 33.099 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 5.168 -28.753 32.954 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -2.059 -10.523 30.457 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -2.516 -9.994 29.803 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -1.896 -9.920 31.182 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 0.268 -11.645 31.402 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -0.636 -11.480 31.136 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 0.697 -10.792 31.336 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 2.873 -10.075 31.697 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 2.691 -9.159 31.486 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 3.049 -10.485 30.850 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -9.822 -11.388 29.162 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -9.841 -11.813 30.019 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -9.017 -11.706 28.753 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -7.681 -12.678 27.817 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -7.900 -13.594 27.986 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -6.857 -12.538 28.283 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -5.144 -12.208 28.665 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -4.931 -13.096 28.378 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -5.079 -12.242 29.620 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 3.507 -28.437 27.922 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 4.111 -27.889 27.421 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 2.638 -28.117 27.682 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -10.571 -12.164 22.333 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -11.256 -12.202 21.665 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -10.568 -11.251 22.621 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.753 -11.244 19.358 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -9.021 -10.957 20.231 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -7.982 -11.790 19.510 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 1.044 -28.713 36.867 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 1.120 -29.139 37.721 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 1.937 -28.699 36.525 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 4.220 -12.640 35.560 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 3.438 -12.826 35.040 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 4.148 -11.711 35.777 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.455 -21.052 38.937 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -0.754 -21.030 39.588 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -1.153 -21.680 38.281 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 0.768 -20.138 40.535 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 1.347 -19.988 41.282 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 1.182 -19.667 39.812 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -7.468 -19.600 42.322 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -7.760 -18.832 41.831 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -8.142 -20.260 42.159 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 2.245 -19.105 38.165 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 2.287 -19.328 37.235 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 3.094 -18.707 38.355 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -2.182 -25.229 38.835 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -2.436 -25.210 39.758 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -2.439 -26.101 38.534 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -12.058 -25.042 44.988 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -11.427 -25.071 45.708 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -11.608 -25.467 44.258 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -10.783 -24.296 40.412 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.309 -23.705 39.827 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -11.501 -23.765 40.759 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -9.009 -23.201 44.096 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -9.898 -23.101 43.756 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -8.713 -24.043 43.750 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -5.356 -23.201 41.752 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.424 -23.072 41.930 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -5.571 -22.531 41.103 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -7.515 -25.906 43.574 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -7.832 -26.808 43.539 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -6.734 -25.904 43.022 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 0.551 -24.627 39.454 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -0.387 -24.515 39.303 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 0.848 -23.770 39.760 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -1.221 -15.982 40.280 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -1.516 -15.156 40.662 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -1.924 -16.602 40.476 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -10.092 -19.766 39.016 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -9.476 -19.139 39.395 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -10.954 -19.450 39.287 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 1.842 -15.788 39.095 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 2.195 -16.168 39.899 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 0.893 -15.881 39.181 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -4.067 -14.676 37.542 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -3.828 -15.424 36.994 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -4.336 -15.064 38.374 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -8.677 -17.853 40.508 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -9.363 -17.501 41.075 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -8.154 -17.090 40.262 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -2.861 -23.811 42.719 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -2.049 -23.307 42.765 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -3.106 -23.956 43.633 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -2.029 -12.813 37.680 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -2.673 -13.444 38.002 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -1.267 -13.344 37.448 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -6.470 -17.086 37.771 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -6.406 -17.880 38.302 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -5.817 -17.205 37.082 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -1.118 -16.039 37.507 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -1.386 -15.859 38.408 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -1.324 -16.965 37.376 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -5.321 -19.114 40.077 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -5.780 -19.598 40.763 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -5.066 -19.782 39.441 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -4.250 -20.871 38.340 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -4.430 -21.025 37.412 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -3.299 -20.763 38.384 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 5.140 -18.516 37.785 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 4.867 -18.941 36.972 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 5.180 -17.585 37.568 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 4.610 -22.453 38.526 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 4.707 -21.786 37.846 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 4.470 -23.269 38.044 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 3.858 -25.045 37.643 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 4.468 -25.417 38.280 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 3.021 -25.467 37.839 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -11.749 -26.155 42.313 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -12.674 -25.946 42.183 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -11.295 -25.671 41.623 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -9.309 -27.910 44.488 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -10.086 -28.144 43.980 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -8.778 -28.707 44.496 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -4.729 -27.983 44.301 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -3.855 -27.595 44.271 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -4.865 -28.198 45.224 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -3.585 -25.903 41.191 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -3.407 -26.549 41.874 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -3.639 -25.069 41.658 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -0.230 0.102 -12.122 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -0.141 1.046 -12.254 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -0.869 -0.173 -12.780 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -1.297 -0.643 -8.703 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -1.335 -1.289 -7.998 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -1.620 -1.109 -9.474 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.929 -1.028 -7.110 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -8.887 -1.654 -6.386 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -8.226 -0.405 -6.928 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 2.409 2.296 -10.401 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 1.968 1.576 -9.951 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 2.396 3.017 -9.771 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -2.908 1.790 -8.297 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -2.604 1.104 -8.891 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -2.186 1.908 -7.679 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 5.755 -6.609 -7.436 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 5.804 -5.999 -6.700 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 6.181 -6.148 -8.159 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 0.233 -3.816 -7.969 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 0.376 -4.763 -7.949 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 0.127 -3.609 -8.898 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -7.802 -6.797 -6.623 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.021 -6.267 -7.389 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.470 -6.570 -5.975 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -5.233 0.879 -6.335 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -5.973 1.477 -6.232 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -4.519 1.433 -6.651 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 2.874 -6.293 -10.315 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 2.659 -7.059 -9.783 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 3.530 -5.821 -9.802 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.208 -4.905 -8.670 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -7.595 -4.272 -8.297 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.696 -5.377 -9.327 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -6.825 2.843 -5.548 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -6.831 3.722 -5.926 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -7.679 2.760 -5.123 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 2.921 4.136 -8.053 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 1.979 4.194 -7.892 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.197 5.042 -8.190 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 3.221 -7.578 -6.636 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.485 -6.967 -6.674 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.905 -7.163 -7.162 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -3.776 -9.491 -9.170 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -3.893 -10.440 -9.224 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -4.631 -9.159 -8.897 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 1.173 5.917 -11.428 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 1.598 5.210 -11.913 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 1.490 6.718 -11.845 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 2.332 3.818 -12.919 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 2.075 3.128 -13.531 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 2.403 3.375 -12.074 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 1.897 -0.444 -13.718 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 1.165 -0.216 -13.145 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 2.344 -1.158 -13.263 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -6.091 -1.045 -8.202 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -5.526 -0.924 -8.965 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -5.772 -0.408 -7.563 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 0.218 4.458 -7.468 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -0.023 5.120 -6.820 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 0.020 3.624 -7.043 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -5.211 3.354 -3.485 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -5.523 4.136 -3.029 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -5.861 3.201 -4.171 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -6.972 5.426 -2.721 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -6.964 5.290 -3.669 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -7.888 5.308 -2.469 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -11.375 1.619 -5.431 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -11.876 1.591 -6.246 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -11.369 0.713 -5.121 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 6.573 5.065 -2.865 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 6.524 4.110 -2.902 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 5.747 5.333 -2.463 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -2.448 4.639 -3.989 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -2.361 5.465 -3.514 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -3.312 4.309 -3.740 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -9.126 2.942 -4.388 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -8.909 2.581 -3.528 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -9.981 2.568 -4.598 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.507 -8.588 -8.392 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -7.368 -8.675 -8.800 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -6.529 -7.732 -7.965 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 1.482 -5.110 -4.164 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 0.968 -5.236 -3.367 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 1.327 -4.198 -4.409 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -6.416 -3.622 -7.297 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -7.058 -3.663 -6.588 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -6.379 -2.696 -7.535 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 0.121 -3.539 -10.754 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -0.074 -2.934 -11.469 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 0.303 -4.373 -11.189 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -8.666 -3.302 -5.430 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -8.704 -2.902 -4.562 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -9.157 -4.119 -5.340 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -0.615 -1.901 -6.083 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -0.291 -2.532 -6.726 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -1.055 -2.436 -5.422 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 0.568 -6.739 -8.035 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -0.109 -6.608 -7.371 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 0.082 -6.894 -8.845 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -2.517 -3.186 -9.412 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -1.953 -3.733 -9.959 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -2.665 -3.708 -8.623 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.891 -4.798 -6.998 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -4.726 -4.344 -6.888 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.367 -4.522 -6.246 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -1.827 1.599 -4.076 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.173 1.218 -3.270 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -2.027 2.533 -4.005 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -11.214 -0.829 -4.229 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -10.991 -1.247 -3.397 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -11.816 -1.442 -4.651 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 0.423 4.061 -4.126 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -0.478 4.244 -4.394 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 0.457 4.320 -3.205 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -0.361 2.139 -6.547 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -0.787 1.912 -5.721 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 0.220 1.401 -6.730 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 2.298 6.691 -4.078 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 1.696 6.136 -4.573 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 2.579 7.358 -4.704 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -9.580 -6.076 -4.671 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -10.473 -5.737 -4.738 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -9.679 -6.931 -4.253 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -0.845 -6.335 -5.781 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -0.147 -6.261 -5.131 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -1.226 -7.199 -5.626 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -2.325 -3.969 -4.664 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -2.206 -3.395 -3.907 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -1.670 -4.657 -4.549 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 3.879 -6.062 -3.829 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 2.963 -5.799 -3.917 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 4.215 -6.065 -4.726 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 2.481 -2.311 -9.733 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 1.684 -2.726 -10.062 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 2.926 -3.002 -9.242 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 3.568 6.945 -8.111 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 3.412 7.623 -8.768 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 4.500 7.017 -7.908 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -8.937 -8.937 -9.374 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -9.166 -8.878 -10.301 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -9.380 -9.729 -9.067 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 0.456 4.915 -1.534 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 0.105 4.059 -1.291 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 1.182 5.058 -0.927 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -10.811 1.426 -0.929 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -10.667 0.524 -1.215 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -11.584 1.712 -1.417 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -4.156 1.396 -1.496 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -4.484 1.667 -2.354 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -4.004 0.455 -1.584 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -5.280 -6.640 -5.560 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -4.744 -6.189 -6.212 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -6.132 -6.748 -5.982 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -3.698 -1.201 -5.320 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -2.947 -1.357 -5.893 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -4.037 -0.349 -5.596 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 6.284 7.595 -7.882 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 6.262 7.780 -6.943 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 6.974 8.164 -8.223 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 5.847 7.162 -4.960 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 5.360 6.427 -5.331 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 6.396 6.769 -4.282 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 4.298 2.952 -0.322 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 3.432 2.847 0.072 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 4.674 3.711 0.125 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 5.599 1.209 -14.808 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 6.449 1.630 -14.680 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 5.604 0.469 -14.200 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 5.993 -0.738 -12.984 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 5.267 -1.217 -12.586 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 6.574 -0.532 -12.252 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 4.239 4.925 -5.729 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 3.591 5.250 -5.104 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 3.721 4.485 -6.404 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 3.780 -2.217 -12.421 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 3.630 -3.162 -12.441 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 3.426 -1.936 -11.577 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 6.414 -9.336 -0.393 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 6.764 -9.990 -0.999 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 6.561 -8.499 -0.833 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 5.934 -7.227 -2.044 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 5.017 -6.956 -2.080 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 6.057 -7.762 -2.828 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -11.785 -8.561 -5.911 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -12.450 -8.807 -5.268 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -12.228 -7.939 -6.488 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.593 4.614 -1.767 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -10.414 4.789 -2.227 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -9.845 4.541 -0.846 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 4.935 -9.137 -4.225 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 4.122 -8.812 -4.613 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 5.168 -9.897 -4.758 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -1.635 -7.688 -9.902 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.310 -8.317 -9.647 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -1.071 -8.172 -10.505 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 1.044 -9.857 -0.845 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 1.120 -10.283 0.009 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 1.937 -9.843 -1.187 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.220 6.216 -2.152 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 3.438 6.030 -2.672 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 4.148 7.145 -1.935 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -1.297 -0.643 10.153 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -1.335 -1.289 10.858 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -1.620 -1.109 9.382 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 2.409 2.296 8.455 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 1.968 1.576 8.905 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 2.396 3.017 9.085 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -11.395 -2.918 5.674 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -11.843 -2.072 5.656 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -11.956 -3.498 5.159 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -10.685 -0.756 7.800 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -10.471 -1.526 8.327 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -9.947 -0.667 7.197 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -0.480 7.401 8.667 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 0.140 6.724 8.394 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -0.688 7.183 9.575 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -2.908 1.790 10.559 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -2.604 1.104 9.965 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -2.186 1.908 11.177 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 5.755 -6.609 11.420 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 5.804 -5.999 12.156 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 6.181 -6.148 10.697 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 0.233 -3.816 10.887 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 0.376 -4.763 10.907 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 0.127 -3.609 9.958 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 1.110 -5.584 6.560 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 1.756 -5.913 7.185 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 1.620 -5.066 5.937 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -9.992 -3.318 8.921 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -9.338 -3.868 9.353 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -9.968 -3.592 8.005 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -4.836 -1.768 8.137 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -4.220 -2.294 8.646 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -5.422 -2.408 7.733 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 6.147 -5.131 13.656 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 5.458 -4.473 13.561 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 6.162 -5.328 14.593 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -7.802 -6.797 12.233 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -8.021 -6.267 11.467 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -8.470 -6.570 12.881 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 2.874 -6.293 8.541 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 2.659 -7.059 9.073 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 3.530 -5.821 9.054 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -8.208 -4.905 10.186 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -7.595 -4.272 10.559 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -7.696 -5.377 9.529 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -10.704 2.514 4.090 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -10.976 2.743 3.201 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -10.659 3.352 4.550 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 2.921 4.136 10.803 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 1.979 4.194 10.964 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 3.197 5.042 10.666 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 1.173 5.917 7.428 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 1.598 5.210 6.943 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 1.490 6.718 7.011 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 1.794 -2.270 14.206 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 1.874 -1.507 14.778 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 1.193 -1.991 13.515 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -6.458 0.186 7.021 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -6.788 -0.184 6.202 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -5.870 -0.484 7.367 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -5.091 3.614 9.702 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -5.186 3.036 8.945 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -4.362 3.243 10.198 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -6.091 -1.045 10.654 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -5.526 -0.924 9.891 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -5.772 -0.408 11.293 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 0.218 4.458 11.388 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -0.023 5.120 12.036 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 0.020 3.624 11.813 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -1.506 5.455 6.258 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.032 5.750 7.036 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -2.069 6.193 6.025 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 4.466 -9.532 2.636 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 3.567 -9.393 2.931 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 4.718 -8.701 2.234 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -7.468 -0.744 4.610 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.760 0.024 4.119 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -8.142 -1.404 4.447 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 5.656 4.834 1.013 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 5.729 5.773 1.183 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 6.561 4.529 0.956 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -2.034 8.411 4.673 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -2.109 8.290 3.727 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -2.001 9.361 4.792 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 1.068 7.565 1.676 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 1.443 6.821 1.205 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 1.072 7.295 2.594 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 0.737 7.491 4.425 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -0.198 7.591 4.604 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 1.017 6.782 5.003 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 3.725 -3.442 16.471 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 3.318 -2.961 15.751 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 3.766 -4.347 16.164 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -6.507 -8.588 10.464 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.368 -8.675 10.056 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -6.529 -7.732 10.891 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 1.482 -5.110 14.692 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.968 -5.236 15.489 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 1.327 -4.198 14.447 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -6.416 -3.622 11.559 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -7.058 -3.663 12.268 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.379 -2.696 11.321 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -1.781 -2.810 16.776 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.344 -3.514 17.096 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -0.955 -2.930 17.243 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.121 -3.539 8.102 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -0.074 -2.934 7.387 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 0.303 -4.373 7.667 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -8.666 -3.302 13.426 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -8.704 -2.902 14.294 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -9.157 -4.119 13.516 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -12.058 -6.186 7.276 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -11.427 -6.215 7.996 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -11.608 -6.611 6.546 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 0.568 -6.739 10.821 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -0.109 -6.608 11.485 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 0.082 -6.894 10.011 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -2.517 -3.186 9.444 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -1.953 -3.733 8.897 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -2.665 -3.708 10.233 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -3.891 -4.798 11.858 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -4.726 -4.344 11.968 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -3.367 -4.522 12.610 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -4.197 -1.312 16.840 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -4.493 -1.478 15.945 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -3.266 -1.532 16.830 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 4.450 5.092 3.562 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 4.077 4.266 3.872 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.727 4.909 2.665 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 1.610 -0.100 10.584 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 0.682 -0.332 10.557 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 2.061 -0.877 10.254 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -5.847 4.228 6.717 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -5.320 5.001 6.516 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -6.727 4.453 6.415 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -4.420 1.891 6.293 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -4.661 2.816 6.335 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -5.160 1.432 6.689 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -5.736 6.913 5.838 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -6.686 7.018 5.890 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -5.385 7.733 6.183 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -0.361 2.139 12.309 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -0.787 1.912 13.135 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 0.220 1.401 12.126 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -9.580 -6.076 14.185 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -10.473 -5.737 14.118 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.679 -6.931 14.603 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -4.067 4.180 -0.170 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.828 3.432 -0.718 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.336 3.792 0.662 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -5.130 3.750 2.286 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -4.983 3.230 3.076 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -5.133 4.657 2.592 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -2.392 5.448 3.035 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -3.209 5.945 3.088 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -1.863 5.923 2.395 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -2.325 -3.969 14.192 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -2.206 -3.395 14.949 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -1.670 -4.657 14.307 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -5.054 6.491 3.017 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -4.893 7.291 2.516 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -5.251 6.798 3.902 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 2.481 -2.311 9.123 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 1.684 -2.726 8.794 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 2.926 -3.002 9.614 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -8.061 3.617 1.693 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -7.469 4.316 1.969 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -7.602 3.184 0.974 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -8.937 -8.937 9.482 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -9.166 -8.878 8.555 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -9.380 -9.729 9.789 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -2.029 6.043 -0.032 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -2.673 5.412 0.290 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -1.267 5.512 -0.264 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 2.575 5.860 0.202 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 2.858 5.066 0.655 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 3.315 6.093 -0.359 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.032 -2.365 14.721 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.650 -1.690 15.002 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -5.688 -2.044 13.888 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -5.692 -5.010 15.804 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -5.542 -5.739 15.201 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -5.690 -4.233 15.245 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -5.280 -6.640 13.296 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -4.744 -6.189 12.644 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -6.132 -6.748 12.874 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 0.718 -3.386 18.564 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 0.910 -4.317 18.453 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 1.575 -2.961 18.554 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -7.214 -3.812 17.715 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -7.981 -4.344 17.505 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -6.535 -4.122 17.116 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -0.494 -5.735 16.367 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -1.442 -5.703 16.499 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -0.182 -6.360 17.021 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 1.140 -7.101 18.372 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 1.043 -8.053 18.366 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 0.818 -6.832 19.233 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -9.033 -5.891 17.420 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -8.822 -6.598 16.809 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -9.145 -6.329 18.264 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -10.784 3.312 1.112 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -9.870 3.391 1.385 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -10.777 2.625 0.445 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 5.752 2.047 10.820 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 6.586 1.669 10.539 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 5.864 2.990 10.701 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 4.102 -4.053 10.333 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 5.035 -3.841 10.299 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 3.867 -3.951 11.256 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 4.131 -3.316 13.109 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 3.288 -3.048 13.475 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 4.574 -2.494 12.898 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -11.587 -4.868 16.586 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -10.668 -4.990 16.822 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -12.037 -5.618 16.975 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 6.414 -9.336 18.463 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 6.764 -9.990 17.857 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 6.561 -8.499 18.023 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 4.104 -7.371 4.946 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 4.286 -7.820 5.771 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 3.504 -7.956 4.482 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -10.366 -6.556 9.477 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -9.921 -7.348 9.779 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -9.900 -5.840 9.908 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -12.062 -3.557 10.546 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -11.570 -3.778 9.756 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -11.700 -2.716 10.827 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 5.934 -7.227 16.812 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 5.017 -6.956 16.776 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 6.057 -7.762 16.028 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 5.970 -7.304 1.474 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 6.383 -8.025 0.998 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 6.652 -6.634 1.532 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -11.749 -7.299 4.601 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -12.674 -7.090 4.471 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -11.295 -6.815 3.911 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 3.022 7.685 6.546 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 3.675 7.338 5.938 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 3.533 8.174 7.192 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -1.635 -7.688 8.954 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -2.310 -8.317 9.209 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -1.071 -8.172 8.351 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 5.234 -8.442 7.400 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 5.846 -8.956 6.873 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 5.617 -7.564 7.423 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -1.707 7.902 1.874 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -0.841 8.268 1.696 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -1.954 7.462 1.061 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 5.002 7.465 4.554 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 4.808 6.717 3.989 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.963 8.223 3.970 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -6.612 -5.715 27.015 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.569 -4.855 26.597 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -7.070 -6.267 26.382 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 1.110 -5.584 25.416 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 1.756 -5.913 26.041 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 1.620 -5.066 24.793 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 2.874 -6.293 27.397 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 2.659 -7.059 27.929 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 3.530 -5.821 27.910 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -3.776 -9.491 28.542 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -3.893 -10.440 28.488 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -4.631 -9.159 28.815 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.455 -2.196 20.081 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -0.754 -2.174 20.732 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -1.153 -2.824 19.425 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -6.419 -3.401 25.327 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -7.312 -3.742 25.268 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -5.968 -3.778 24.571 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -0.883 -2.985 24.144 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -1.292 -2.170 23.852 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -0.163 -3.125 23.529 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 0.121 -3.539 26.958 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -0.074 -2.934 26.243 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 0.303 -4.373 26.523 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -10.783 -5.440 21.556 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -10.309 -4.849 20.971 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -11.501 -4.909 21.903 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.837 -5.974 26.413 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.748 -5.917 26.702 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -3.332 -6.034 27.224 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -5.356 -4.345 22.896 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -4.424 -4.216 23.074 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.571 -3.675 22.247 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 0.568 -6.739 29.677 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -0.109 -6.608 30.341 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 0.082 -6.894 28.867 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -6.682 -3.150 20.463 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -7.224 -3.530 19.772 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -5.848 -2.956 20.034 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -7.515 -7.050 24.718 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -7.832 -7.952 24.683 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -6.734 -7.048 24.166 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 0.551 -5.771 20.598 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -0.387 -5.659 20.447 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 0.848 -4.914 20.904 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 1.269 -3.904 22.259 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 2.161 -4.041 22.578 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 1.326 -3.113 21.722 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -2.861 -4.955 23.863 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -2.049 -4.451 23.909 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -3.106 -5.100 24.777 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -9.745 -3.719 19.665 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -9.790 -2.780 19.844 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -10.633 -3.955 19.395 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -4.250 -2.015 19.484 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -4.430 -2.169 18.556 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -3.299 -1.907 19.528 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 3.858 -6.189 18.787 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 4.468 -6.561 19.424 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 3.021 -6.611 18.983 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 3.490 -4.634 23.753 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 3.770 -5.541 23.878 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 4.249 -4.200 23.364 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 4.104 -7.371 23.802 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 4.286 -7.820 24.627 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 3.504 -7.956 23.338 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 5.970 -7.304 20.330 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 6.383 -8.025 19.854 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 6.652 -6.634 20.388 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -1.635 -7.688 27.810 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.310 -8.317 28.065 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -1.071 -8.172 27.207 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 3.507 -9.581 27.922 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 4.111 -9.033 27.421 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 2.638 -9.261 27.682 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 5.234 -8.442 26.256 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 5.846 -8.956 25.729 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 5.617 -7.564 26.279 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -9.309 -9.054 25.632 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -10.086 -9.288 25.124 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -8.778 -9.851 25.640 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -10.472 -9.256 21.435 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -10.033 -8.645 20.844 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -11.106 -8.718 21.909 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -4.729 -9.127 25.445 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -3.855 -8.739 25.415 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -4.865 -9.342 26.368 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 0.828 -9.097 27.094 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 0.904 -9.002 26.145 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 0.552 -10.005 27.223 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -8.611 -7.340 19.878 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.120 -7.970 19.350 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -7.988 -7.044 20.541 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.232 -33.313 10.309 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 8.178 -33.457 10.290 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 7.119 -32.529 10.846 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 10.476 -30.512 6.454 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 10.628 -30.860 7.333 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 9.625 -30.868 6.199 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 8.927 -31.983 12.620 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 9.144 -32.915 12.589 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 9.174 -31.709 13.504 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 8.138 -30.096 16.973 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 8.678 -30.313 17.732 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 7.657 -30.902 16.783 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 12.735 -31.177 18.593 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 13.503 -31.636 18.934 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 12.714 -31.403 17.663 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 6.721 -29.007 6.189 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 6.074 -29.469 5.656 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 7.076 -29.679 6.772 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 7.591 -30.926 7.994 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 7.257 -31.807 8.166 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 7.813 -30.581 8.858 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 9.263 -33.098 17.089 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 8.442 -32.923 16.629 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 9.011 -33.171 18.010 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 12.217 -32.123 13.348 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 11.792 -31.314 13.065 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 13.122 -32.038 13.046 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 12.086 -29.267 12.425 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 11.221 -29.195 12.829 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 12.031 -28.720 11.641 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 9.034 -30.244 10.306 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 9.015 -30.669 11.163 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 9.839 -30.562 9.897 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 8.285 -31.020 3.477 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 7.600 -31.058 2.809 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 8.288 -30.107 3.765 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 10.103 -30.100 0.502 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 9.835 -29.813 1.375 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 10.874 -30.646 0.654 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 10.476 -30.512 25.310 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 10.628 -30.860 26.189 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 9.625 -30.868 25.055 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 13.120 -30.799 24.694 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 12.170 -30.694 24.746 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 13.471 -29.979 25.039 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 13.802 -31.221 21.873 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 13.963 -30.421 21.372 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 13.605 -30.914 22.758 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 8.849 -32.709 24.499 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 8.017 -32.236 24.526 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 9.395 -32.199 23.900 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 14.504 -29.036 20.485 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 15.437 -28.878 20.629 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 14.240 -28.361 19.860 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 7.591 -30.926 26.850 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 7.257 -31.807 27.022 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 7.813 -30.581 27.714 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 9.034 -30.244 29.162 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 9.015 -30.669 30.019 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.839 -30.562 28.753 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 11.175 -31.534 27.817 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 10.956 -32.450 27.986 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 11.999 -31.394 28.283 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 8.285 -31.020 22.333 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 7.600 -31.058 21.665 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 8.288 -30.107 22.621 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 10.103 -30.100 19.358 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 9.835 -29.813 20.231 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 10.874 -30.646 19.510 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 10.309 -17.449 -2.150 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 11.042 -17.195 -1.589 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 9.529 -17.245 -1.635 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 8.045 -17.430 -0.929 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 8.189 -18.332 -1.215 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 7.272 -17.144 -1.417 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 8.877 -20.230 -1.509 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 9.285 -21.087 -1.630 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 8.617 -20.215 -0.588 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 9.823 -24.747 -1.436 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 10.034 -25.454 -2.047 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 9.711 -25.185 -0.592 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 7.269 -23.724 -2.270 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 8.188 -23.846 -2.034 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 6.819 -24.474 -1.881 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 9.263 -14.242 -1.767 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 8.442 -14.067 -2.227 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 9.011 -14.315 -0.846 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 9.619 -10.011 -5.461 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 8.899 -9.571 -5.912 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 9.253 -10.262 -4.612 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 9.505 -27.396 -2.563 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 9.139 -28.161 -2.120 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 10.418 -27.367 -2.276 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 9.927 -19.884 11.746 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 9.969 -20.510 12.470 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 10.630 -19.261 11.928 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 10.851 -15.434 10.281 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 10.481 -16.236 9.912 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 11.792 -15.603 10.328 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 8.171 -19.612 7.800 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 8.385 -20.382 8.327 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 8.909 -19.523 7.197 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 12.244 -24.571 8.159 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 12.287 -23.711 7.741 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 11.786 -25.123 7.526 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 8.864 -22.174 8.921 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 9.518 -22.724 9.353 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 8.888 -22.448 8.005 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 11.054 -25.653 12.233 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 10.835 -25.123 11.467 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 10.386 -25.426 12.881 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 13.623 -17.977 12.521 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 12.883 -17.379 12.624 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 14.337 -17.423 12.205 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 10.648 -23.761 10.186 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 11.261 -23.128 10.559 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 11.160 -24.233 9.529 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 12.031 -16.013 13.308 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 12.025 -15.134 12.930 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 11.177 -16.096 13.733 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 12.398 -18.670 7.021 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 12.068 -19.040 6.202 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 12.986 -19.340 7.367 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 12.765 -19.901 10.654 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 13.330 -19.780 9.891 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 13.084 -19.264 11.293 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.565 -19.304 14.600 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 10.635 -18.653 15.298 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 9.674 -19.201 14.265 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 11.388 -19.600 4.610 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 11.096 -18.832 4.119 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 10.714 -20.260 4.447 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 7.232 -14.457 10.309 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 8.178 -14.601 10.290 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 7.119 -13.673 10.846 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 9.730 -15.914 14.468 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 9.947 -16.275 15.328 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 8.875 -16.288 14.258 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 12.349 -27.444 10.464 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 11.488 -27.531 10.056 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 12.327 -26.588 10.891 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 12.440 -22.478 11.559 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 11.798 -22.519 12.268 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 12.477 -21.552 11.321 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 12.437 -22.257 6.471 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 11.544 -22.598 6.412 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 12.888 -22.634 5.715 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 10.190 -22.158 13.426 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 10.152 -21.758 14.294 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 9.699 -22.975 13.516 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 15.019 -24.830 7.557 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 14.108 -24.773 7.846 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 15.524 -24.890 8.368 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 13.500 -23.201 4.040 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 14.432 -23.072 4.218 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 13.285 -22.531 3.391 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 12.174 -22.006 1.607 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 11.632 -22.386 0.916 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 13.008 -21.812 1.178 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 10.309 -17.449 16.706 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 11.042 -17.195 17.267 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 9.529 -17.245 17.221 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 11.341 -25.906 5.862 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 11.024 -26.808 5.827 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 12.122 -25.904 5.310 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 10.634 -18.146 9.312 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 11.379 -18.148 8.711 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 10.712 -18.970 9.794 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 8.927 -13.127 12.620 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 9.144 -14.059 12.589 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 9.174 -12.853 13.504 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 10.179 -17.853 2.796 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 9.493 -17.501 3.363 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 10.702 -17.090 2.550 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 12.536 -25.667 2.633 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 12.453 -24.778 2.979 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 13.426 -25.932 2.864 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 10.795 -15.239 1.693 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 11.387 -14.540 1.969 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 11.254 -15.672 0.974 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 9.111 -22.575 0.809 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 9.066 -21.636 0.988 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.223 -22.811 0.539 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 9.919 -27.793 9.482 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 9.690 -27.734 8.555 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 9.476 -28.585 9.789 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 8.849 -13.853 5.643 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 8.017 -13.380 5.670 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 9.395 -13.343 5.044 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 8.138 -11.240 16.973 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 8.678 -11.457 17.732 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 7.657 -12.046 16.783 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 8.045 -17.430 17.927 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 8.189 -18.332 17.641 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 7.272 -17.144 17.439 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 12.386 -17.086 0.059 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 12.450 -17.880 0.590 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 13.039 -17.205 -0.630 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 8.877 -20.230 17.347 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.285 -21.087 17.226 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 8.617 -20.215 18.268 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.535 -19.114 2.365 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 13.076 -19.598 3.051 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 13.790 -19.782 1.729 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 12.824 -21.221 14.721 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 12.206 -20.546 15.002 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 13.168 -20.900 13.888 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 13.164 -23.866 15.804 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 13.314 -24.595 15.201 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 13.166 -23.089 15.245 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 13.576 -25.496 13.296 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 14.112 -25.045 12.644 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 12.724 -25.604 12.874 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 11.642 -22.668 17.715 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 10.875 -23.200 17.505 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 12.321 -22.978 17.116 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 14.957 -27.063 18.453 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 14.826 -27.539 17.632 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 14.358 -26.319 18.397 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 8.072 -15.544 1.112 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 8.986 -15.465 1.385 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.079 -16.231 0.445 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 6.721 -10.151 6.189 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 6.074 -10.613 5.656 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 7.076 -10.823 6.772 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.591 -12.070 7.994 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.257 -12.951 8.166 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 7.813 -11.725 8.858 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 9.263 -14.242 17.089 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 8.442 -14.067 16.629 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 9.011 -14.315 18.010 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 12.217 -13.267 13.348 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 11.792 -12.458 13.065 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 13.122 -13.182 13.046 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 9.619 -10.011 13.395 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 8.899 -9.571 12.944 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 9.253 -10.262 14.244 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 12.086 -10.411 12.425 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 11.221 -10.339 12.829 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 12.031 -9.864 11.641 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.034 -11.388 10.306 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 9.015 -11.813 11.163 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 9.839 -11.706 9.897 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 11.175 -12.678 8.961 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 10.956 -13.594 9.130 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 11.999 -12.538 9.427 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 9.547 -27.910 6.776 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 8.770 -28.144 6.268 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 10.078 -28.707 6.784 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 8.384 -28.112 2.579 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 8.823 -27.501 1.988 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 7.750 -27.574 3.053 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 14.127 -27.983 6.589 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 15.001 -27.595 6.559 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 13.991 -28.198 7.512 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 8.285 -12.164 3.477 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 7.600 -12.202 2.809 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 8.288 -11.251 3.765 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.245 -26.196 1.022 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 10.736 -26.826 0.494 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 10.868 -25.900 1.685 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 11.478 -28.045 17.829 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.377 -28.319 17.644 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 11.092 -28.788 18.293 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 18.626 -18.754 25.590 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 18.715 -17.810 25.458 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 17.987 -19.029 24.932 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 17.559 -19.499 29.009 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 17.521 -20.145 29.714 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 17.236 -19.965 28.238 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 10.851 -15.434 29.137 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 10.481 -16.236 28.768 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 11.792 -15.603 29.184 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 15.948 -17.066 29.415 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 16.252 -17.752 28.821 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 16.670 -16.948 30.033 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 11.054 -25.653 31.089 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.835 -25.123 30.323 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 10.386 -25.426 31.737 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 18.423 -16.153 24.633 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 18.127 -16.475 23.782 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 18.099 -15.253 24.675 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 13.623 -17.977 31.377 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 12.883 -17.379 31.480 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 14.337 -17.423 31.061 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 12.031 -16.013 32.164 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 12.025 -15.134 31.786 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.177 -16.096 32.589 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.152 -16.342 22.946 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 7.880 -16.113 22.057 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.197 -15.504 23.406 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 17.347 -19.510 23.042 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 16.635 -18.975 22.691 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 18.038 -19.454 22.382 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 17.401 -21.052 20.081 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 18.102 -21.030 20.732 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 17.703 -21.680 19.425 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 13.765 -15.242 28.558 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 13.670 -15.820 27.801 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 14.494 -15.613 29.054 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 13.645 -15.502 34.227 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 13.333 -14.720 34.683 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.995 -15.655 33.541 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.565 -19.304 33.456 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 10.635 -18.653 34.154 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 9.674 -19.201 33.121 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.481 -17.237 32.281 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 6.980 -17.265 31.466 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 7.487 -18.143 32.591 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 7.232 -14.457 29.165 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 8.178 -14.601 29.146 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 7.119 -13.673 29.702 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 9.730 -15.914 33.324 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.947 -16.275 34.184 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 8.875 -16.288 33.114 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 12.349 -27.444 29.320 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.488 -27.531 28.912 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.327 -26.588 29.747 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 16.674 -25.229 19.979 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 16.420 -25.210 20.902 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 16.417 -26.101 19.678 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 17.973 -21.841 24.144 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 17.564 -21.026 23.852 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 18.693 -21.981 23.529 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 18.977 -22.395 26.958 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 18.782 -21.790 26.243 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 19.159 -23.229 26.523 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 10.190 -22.158 32.282 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 10.152 -21.758 33.150 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 9.699 -22.975 32.372 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 13.556 -24.784 19.080 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 13.125 -25.229 19.810 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.838 -24.412 18.568 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 18.241 -20.757 31.629 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 18.565 -21.388 30.986 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 17.801 -21.292 32.290 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 15.019 -24.830 26.413 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 14.108 -24.773 26.702 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 15.524 -24.890 27.224 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.500 -23.201 22.896 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.432 -23.072 23.074 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.285 -22.531 22.247 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 12.174 -22.006 20.463 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 11.632 -22.386 19.772 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.008 -21.812 20.034 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 16.339 -22.042 28.300 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 16.903 -22.589 27.753 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 16.191 -22.564 29.089 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 14.965 -23.654 30.714 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 14.130 -23.200 30.824 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 15.489 -23.378 31.466 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 15.509 -17.441 22.399 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 14.765 -17.948 22.076 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 15.375 -17.392 23.345 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 7.642 -19.685 33.483 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 7.865 -20.103 34.315 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.040 -20.298 33.061 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.009 -14.628 25.573 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 13.536 -13.855 25.372 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 12.129 -14.403 25.271 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 8.764 -19.766 20.160 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.380 -19.139 20.539 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 7.902 -19.450 20.431 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 14.436 -16.965 25.149 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 14.195 -16.040 25.191 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 13.696 -17.424 25.545 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 9.276 -24.932 33.041 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 8.383 -24.593 32.974 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 9.177 -25.787 33.459 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 8.927 -13.127 31.476 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.144 -14.059 31.445 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 9.174 -12.853 32.360 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 13.726 -15.106 21.142 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 13.873 -15.626 21.932 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 13.723 -14.199 21.448 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.179 -17.853 21.652 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.493 -17.501 22.219 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.702 -17.090 21.406 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 15.995 -23.811 23.863 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 16.807 -23.307 23.909 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 15.750 -23.956 24.777 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 16.531 -22.825 33.048 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 16.650 -22.251 33.805 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 17.186 -23.513 33.163 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 16.879 -26.730 24.801 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 16.532 -26.112 25.446 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 17.537 -26.229 24.320 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 10.795 -15.239 20.549 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 11.387 -14.540 20.825 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 11.254 -15.672 19.830 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.919 -27.793 28.338 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 9.690 -27.734 27.411 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 9.476 -28.585 28.645 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 8.849 -13.853 24.499 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.017 -13.380 24.526 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.395 -13.343 23.900 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 12.386 -17.086 18.915 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 12.450 -17.880 19.446 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 13.039 -17.205 18.226 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 13.535 -19.114 21.221 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 13.076 -19.598 21.907 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 13.790 -19.782 20.585 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 12.824 -21.221 33.577 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 12.206 -20.546 33.858 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 13.168 -20.900 32.744 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 14.606 -20.871 19.484 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 14.426 -21.025 18.556 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 15.557 -20.763 19.528 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 13.576 -25.496 32.152 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 14.112 -25.045 31.500 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.724 -25.604 31.730 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 15.158 -20.057 32.392 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 15.909 -20.213 31.819 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.819 -19.205 32.116 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 8.072 -15.544 19.968 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.986 -15.465 20.241 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 8.079 -16.231 19.301 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 6.721 -10.151 25.045 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 6.074 -10.613 24.512 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 7.076 -10.823 25.628 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.591 -12.070 26.850 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 7.257 -12.951 27.022 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.813 -11.725 27.714 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 7.671 -18.995 29.301 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 7.855 -19.077 28.366 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 8.520 -19.119 29.725 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 7.269 -23.724 35.442 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 8.188 -23.846 35.678 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 6.819 -24.474 35.831 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 6.794 -22.413 29.402 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 7.286 -22.634 28.612 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 7.156 -21.572 29.683 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 7.071 -27.417 31.801 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 6.406 -27.663 32.444 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 6.628 -26.795 31.224 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 12.217 -13.267 32.204 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.792 -12.458 31.921 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 13.122 -13.182 31.902 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.175 -12.678 27.817 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 10.956 -13.594 27.986 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 11.999 -12.538 28.283 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 13.712 -12.208 28.665 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 13.925 -13.096 28.378 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 13.777 -12.242 29.620 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 14.127 -27.983 25.445 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 15.001 -27.595 25.415 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 13.991 -28.198 26.368 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 8.285 -12.164 22.333 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 7.600 -12.202 21.665 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 8.288 -11.251 22.621 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 15.271 -25.903 22.335 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 15.449 -26.549 23.018 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 15.217 -25.069 22.802 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.103 -11.244 19.358 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.835 -10.957 20.231 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 10.874 -11.790 19.510 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 10.851 3.422 -8.575 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 10.481 2.620 -8.944 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 11.792 3.253 -8.528 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 7.461 -2.918 -13.182 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.013 -2.072 -13.200 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 6.900 -3.498 -13.697 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 8.171 -0.756 -11.056 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 8.385 -1.526 -10.529 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 8.909 -0.667 -11.659 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 15.948 1.790 -8.297 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 16.252 1.104 -8.891 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 16.670 1.908 -7.679 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 12.244 -5.715 -10.697 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 12.287 -4.855 -11.115 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 11.786 -6.267 -11.330 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 14.020 -1.768 -10.719 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 14.636 -2.294 -10.210 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 13.434 -2.408 -11.123 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 11.054 -6.797 -6.623 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.835 -6.267 -7.389 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 10.386 -6.570 -5.975 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 13.623 0.879 -6.335 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 12.883 1.477 -6.232 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 14.337 1.433 -6.651 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 12.031 2.843 -5.548 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 12.025 3.722 -5.926 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 11.177 2.760 -5.123 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.152 2.514 -14.766 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 7.880 2.743 -15.655 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.197 3.352 -14.306 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.398 0.186 -11.835 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.068 -0.184 -12.654 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 12.986 -0.484 -11.489 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 13.765 3.614 -9.154 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.670 3.036 -9.911 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 14.494 3.243 -8.658 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.388 -0.744 -14.246 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.096 0.024 -14.737 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 10.714 -1.404 -14.409 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.232 4.399 -8.547 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 8.178 4.255 -8.566 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.119 5.183 -8.010 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 9.730 2.942 -4.388 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 9.947 2.581 -3.528 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.875 2.568 -4.598 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 12.349 -8.588 -8.392 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.488 -8.675 -8.800 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 12.327 -7.732 -7.965 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.437 -3.401 -12.385 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 11.544 -3.742 -12.444 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.888 -3.778 -13.141 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 6.798 -6.186 -11.580 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 7.429 -6.215 -10.860 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.248 -6.611 -12.310 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 15.019 -5.974 -11.299 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 14.108 -5.917 -11.010 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 15.524 -6.034 -10.488 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.847 -4.345 -12.472 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.958 -4.245 -12.812 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.143 -5.187 -12.818 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.309 1.407 -2.150 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.042 1.661 -1.589 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 9.529 1.611 -1.635 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 16.339 -3.186 -9.412 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 16.903 -3.733 -9.959 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 16.191 -3.708 -8.623 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 11.341 -7.050 -12.994 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 11.024 -7.952 -13.029 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 12.122 -7.048 -13.546 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 14.965 -4.798 -6.998 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 14.130 -4.344 -6.888 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 15.489 -4.522 -6.246 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 14.659 -1.312 -2.016 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 14.363 -1.478 -2.911 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 15.590 -1.532 -2.026 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.927 5.729 -6.236 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.144 4.797 -6.267 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 9.174 6.003 -5.352 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 16.531 -3.969 -4.664 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 16.650 -3.395 -3.907 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 17.186 -4.657 -4.549 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 9.919 -8.937 -9.374 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 9.690 -8.878 -10.301 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 9.476 -9.729 -9.067 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 8.849 5.003 -13.213 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.017 5.476 -13.186 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 9.395 5.513 -13.812 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.045 1.426 -0.929 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.189 0.524 -1.215 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 7.272 1.712 -1.417 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 8.877 -1.374 -1.509 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.285 -2.231 -1.630 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 8.617 -1.359 -0.588 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 12.824 -2.365 -4.135 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 12.206 -1.690 -3.854 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 13.168 -2.044 -4.968 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 13.164 -5.010 -3.052 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.314 -5.739 -3.655 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 13.166 -4.233 -3.611 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 13.576 -6.640 -5.560 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.112 -6.189 -6.212 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 12.724 -6.748 -5.982 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 15.158 -1.201 -5.320 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 15.909 -1.357 -5.893 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 14.819 -0.349 -5.596 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 11.642 -3.812 -1.141 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 10.875 -4.344 -1.351 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 12.321 -4.122 -1.740 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 9.823 -5.891 -1.436 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 10.034 -6.598 -2.047 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 9.711 -6.329 -0.592 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.591 6.786 -10.862 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 7.257 5.905 -10.690 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.813 7.131 -9.998 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 7.269 -4.868 -2.270 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.188 -4.990 -2.034 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 6.819 -5.618 -1.881 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 8.490 -6.556 -9.379 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 8.935 -7.348 -9.077 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 8.956 -5.840 -8.948 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 7.071 -8.561 -5.911 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 6.406 -8.807 -5.268 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 6.628 -7.939 -6.488 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 9.263 4.614 -1.767 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.442 4.789 -2.227 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 9.011 4.541 -0.846 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.505 -8.540 -2.563 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 9.139 -9.305 -2.120 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 10.418 -8.511 -2.276 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.171 -0.756 7.800 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.385 -1.526 8.327 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.909 -0.667 7.197 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 8.864 -3.318 8.921 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.518 -3.868 9.353 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 8.888 -3.592 8.005 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 11.054 -6.797 12.233 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 10.835 -6.267 11.467 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.386 -6.570 12.881 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.152 2.514 4.090 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 7.880 2.743 3.201 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.197 3.352 4.550 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 11.388 -0.744 4.610 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 11.096 0.024 4.119 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 10.714 -1.404 4.447 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 12.437 -3.401 6.471 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.544 -3.742 6.412 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 12.888 -3.778 5.715 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 6.798 -6.186 7.276 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.429 -6.215 7.996 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 7.248 -6.611 6.546 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 9.847 -4.345 6.384 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 8.958 -4.245 6.044 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 10.143 -5.187 6.038 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 13.500 -4.345 4.040 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 14.432 -4.216 4.218 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 13.285 -3.675 3.391 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 12.174 -3.150 1.607 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 11.632 -3.530 0.916 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 13.008 -2.956 1.178 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 11.341 -7.050 5.862 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 11.024 -7.952 5.827 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 12.122 -7.048 5.310 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.276 -6.076 14.185 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.383 -5.737 14.118 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.177 -6.931 14.603 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 10.179 1.003 2.796 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.493 1.355 3.363 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.702 1.766 2.550 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 12.536 -6.811 2.633 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 12.453 -5.922 2.979 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 13.426 -7.076 2.864 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 9.919 -8.937 9.482 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 9.690 -8.878 8.555 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 9.476 -9.729 9.789 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 9.823 -5.891 17.420 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 10.034 -6.598 16.809 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 9.711 -6.329 18.264 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 8.072 3.312 1.112 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 8.986 3.391 1.385 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.079 2.625 0.445 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 7.671 -0.139 10.445 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 7.855 -0.221 9.510 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 8.520 -0.263 10.869 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 7.269 -4.868 16.586 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 8.188 -4.990 16.822 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 6.819 -5.618 16.975 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 8.490 -6.556 9.477 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 8.935 -7.348 9.779 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 8.956 -5.840 9.908 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 6.794 -3.557 10.546 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 7.286 -3.778 9.756 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 7.156 -2.716 10.827 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 7.107 -7.299 4.601 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 6.182 -7.090 4.471 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 7.561 -6.815 3.911 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 9.547 -9.054 6.776 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 8.770 -9.288 6.268 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 10.078 -9.851 6.784 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 8.384 -9.256 2.579 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 8.823 -8.645 1.988 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 7.750 -8.718 3.053 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 10.245 -7.340 1.022 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 10.736 -7.970 0.494 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 10.868 -7.044 1.685 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.505 -8.540 16.293 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 9.139 -9.305 16.736 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 10.418 -8.511 16.580 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 7.107 -7.299 23.457 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 6.182 -7.090 23.327 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 7.561 -6.815 22.767 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.384 -9.256 21.435 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 8.823 -8.645 20.844 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 7.750 -8.718 21.909 0.00 0.00 WAT1 END