REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:18 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 15.018 -20.232 -5.051 1.00 52.35 ATOM 2 CB MET 1 13.051 -20.799 -5.695 1.00 24.10 ATOM 3 HB1 MET 1 12.105 -20.298 -5.857 1.00 37.30 ATOM 4 HB2 MET 1 12.873 -21.653 -5.053 1.00 22.34 ATOM 5 CG MET 1 13.561 -21.286 -7.042 1.00 31.43 ATOM 6 HG1 MET 1 14.129 -20.500 -7.522 1.00 37.30 ATOM 7 HG2 MET 1 12.705 -21.523 -7.658 1.00 31.44 ATOM 8 SD MET 1 14.581 -22.767 -6.904 1.00 40.21 ATOM 9 CE MET 1 16.150 -22.154 -7.513 1.00 22.40 ATOM 10 HE1 MET 1 16.031 -21.805 -8.528 1.00 50.24 ATOM 11 HE2 MET 1 16.881 -22.949 -7.489 1.00 63.42 ATOM 12 HE3 MET 1 16.485 -21.339 -6.889 1.00 72.20 ATOM 13 C MET 1 13.978 -18.475 -5.668 1.00 73.33 ATOM 14 O MET 1 14.962 -18.046 -6.269 1.00 13.20 ATOM 15 N MET 1 13.665 -19.726 -3.576 1.00 64.33 ATOM 16 HT1 MET 1 14.315 -19.067 -3.096 1.00 37.30 ATOM 17 HT2 MET 1 13.745 -20.656 -3.111 1.00 37.30 ATOM 18 HT3 MET 1 12.690 -19.378 -3.455 1.00 37.30 ATOM 19 CA MET 1 14.012 -19.840 -4.988 1.00 74.33 ATOM 20 N GLY 2 12.838 -17.798 -5.570 1.00 12.23 ATOM 21 HN GLY 2 12.073 -18.185 -5.090 1.00 37.30 ATOM 22 CA GLY 2 12.698 -16.489 -6.181 1.00 14.14 ATOM 23 HA1 GLY 2 11.780 -16.478 -6.750 1.00 37.30 ATOM 24 HA2 GLY 2 13.520 -16.290 -6.858 1.00 62.23 ATOM 25 C GLY 2 12.634 -15.374 -5.155 1.00 64.32 ATOM 26 O GLY 2 11.614 -14.696 -5.026 1.00 64.53 ATOM 27 N HIS 3 13.727 -15.184 -4.422 1.00 33.22 ATOM 28 HN HIS 3 14.507 -15.772 -4.561 1.00 37.30 ATOM 29 CA HIS 3 13.791 -14.144 -3.401 1.00 72.31 ATOM 30 HA HIS 3 13.061 -14.385 -2.638 1.00 53.24 ATOM 31 CB HIS 3 15.179 -14.113 -2.761 1.00 41.14 ATOM 32 HB1 HIS 3 15.447 -15.113 -2.453 1.00 37.30 ATOM 33 HB2 HIS 3 15.153 -13.470 -1.894 1.00 32.42 ATOM 34 CG HIS 3 16.250 -13.610 -3.679 1.00 64.04 ATOM 35 ND1 HIS 3 17.039 -12.517 -3.388 1.00 61.11 ATOM 36 HD1 HIS 3 16.984 -11.971 -2.576 1.00 10.11 ATOM 37 CD2 HIS 3 16.663 -14.058 -4.888 1.00 72.31 ATOM 38 HD2 HIS 3 16.269 -14.906 -5.428 1.00 3.35 ATOM 39 CE1 HIS 3 17.889 -12.314 -4.379 1.00 2.13 ATOM 40 HE1 HIS 3 18.628 -11.528 -4.426 1.00 24.45 ATOM 41 NE2 HIS 3 17.682 -13.236 -5.301 1.00 52.15 ATOM 42 HE2 HIS 3 18.237 -13.373 -6.097 1.00 37.30 ATOM 43 C HIS 3 13.461 -12.778 -3.996 1.00 34.54 ATOM 44 O HIS 3 13.823 -12.482 -5.135 1.00 11.35 ATOM 45 N HIS 4 12.770 -11.951 -3.217 1.00 42.14 ATOM 46 HN HIS 4 12.499 -12.239 -2.315 1.00 37.30 ATOM 47 CA HIS 4 12.391 -10.616 -3.667 1.00 70.24 ATOM 48 HA HIS 4 12.844 -10.424 -4.634 1.00 1.12 ATOM 49 CB HIS 4 10.871 -10.511 -3.795 1.00 40.14 ATOM 50 HB1 HIS 4 10.559 -9.482 -3.654 1.00 37.30 ATOM 51 HB2 HIS 4 10.402 -11.124 -3.039 1.00 1.55 ATOM 52 CG HIS 4 10.350 -10.954 -5.128 1.00 30.43 ATOM 53 ND1 HIS 4 9.153 -11.621 -5.284 1.00 21.13 ATOM 54 HD1 HIS 4 8.537 -11.868 -4.563 1.00 12.32 ATOM 55 CD2 HIS 4 10.870 -10.822 -6.370 1.00 53.54 ATOM 56 HD2 HIS 4 11.806 -10.346 -6.626 1.00 55.01 ATOM 57 CE1 HIS 4 8.960 -11.881 -6.565 1.00 0.25 ATOM 58 HE1 HIS 4 8.107 -12.394 -6.984 1.00 53.33 ATOM 59 NE2 HIS 4 9.987 -11.405 -7.245 1.00 62.55 ATOM 60 HE2 HIS 4 10.140 -11.538 -8.204 1.00 37.30 ATOM 61 C HIS 4 12.907 -9.551 -2.705 1.00 23.24 ATOM 62 O HIS 4 12.233 -9.193 -1.739 1.00 34.44 ATOM 63 N HIS 5 14.108 -9.049 -2.974 1.00 41.32 ATOM 64 HN HIS 5 14.609 -9.369 -3.758 1.00 37.30 ATOM 65 CA HIS 5 14.715 -8.024 -2.131 1.00 71.54 ATOM 66 HA HIS 5 15.734 -7.890 -2.466 1.00 41.24 ATOM 67 CB HIS 5 13.956 -6.704 -2.271 1.00 24.24 ATOM 68 HB1 HIS 5 13.042 -6.740 -1.691 1.00 37.30 ATOM 69 HB2 HIS 5 13.703 -6.553 -3.311 1.00 23.20 ATOM 70 CG HIS 5 14.744 -5.511 -1.825 1.00 2.00 ATOM 71 ND1 HIS 5 14.255 -4.574 -0.940 1.00 11.14 ATOM 72 HD1 HIS 5 13.368 -4.589 -0.523 1.00 63.42 ATOM 73 CD2 HIS 5 15.995 -5.106 -2.146 1.00 40.54 ATOM 74 HD2 HIS 5 16.677 -5.606 -2.819 1.00 51.23 ATOM 75 CE1 HIS 5 15.170 -3.643 -0.737 1.00 51.20 ATOM 76 HE1 HIS 5 15.065 -2.784 -0.091 1.00 64.31 ATOM 77 NE2 HIS 5 16.236 -3.942 -1.457 1.00 73.35 ATOM 78 HE2 HIS 5 17.095 -3.472 -1.416 1.00 37.30 ATOM 79 C HIS 5 14.732 -8.463 -0.670 1.00 62.33 ATOM 80 O HIS 5 14.566 -7.646 0.236 1.00 73.30 ATOM 81 N HIS 6 14.934 -9.758 -0.449 1.00 30.34 ATOM 82 HN HIS 6 15.083 -10.373 -1.200 1.00 37.30 ATOM 83 CA HIS 6 14.973 -10.306 0.903 1.00 53.32 ATOM 84 HA HIS 6 15.064 -11.379 0.823 1.00 71.43 ATOM 85 CB HIS 6 16.182 -9.759 1.663 1.00 70.55 ATOM 86 HB1 HIS 6 16.294 -10.309 2.586 1.00 37.30 ATOM 87 HB2 HIS 6 16.025 -8.713 1.892 1.00 4.10 ATOM 88 CG HIS 6 17.468 -9.873 0.903 1.00 53.32 ATOM 89 ND1 HIS 6 17.796 -10.972 0.138 1.00 74.12 ATOM 90 HD1 HIS 6 17.241 -11.770 0.015 1.00 71.13 ATOM 91 CD2 HIS 6 18.509 -9.015 0.792 1.00 51.12 ATOM 92 HD2 HIS 6 18.593 -8.045 1.262 1.00 64.03 ATOM 93 CE1 HIS 6 18.984 -10.786 -0.409 1.00 74.54 ATOM 94 HE1 HIS 6 19.496 -11.481 -1.058 1.00 44.30 ATOM 95 NE2 HIS 6 19.438 -9.606 -0.029 1.00 31.14 ATOM 96 HE2 HIS 6 20.253 -9.179 -0.367 1.00 37.30 ATOM 97 C HIS 6 13.690 -9.975 1.660 1.00 72.32 ATOM 98 O HIS 6 13.726 -9.624 2.840 1.00 71.24 ATOM 99 N HIS 7 12.557 -10.089 0.973 1.00 23.33 ATOM 100 HN HIS 7 12.584 -10.399 0.037 1.00 37.30 ATOM 101 CA HIS 7 11.263 -9.802 1.581 1.00 33.51 ATOM 102 HA HIS 7 11.360 -8.913 2.192 1.00 40.21 ATOM 103 CB HIS 7 10.215 -9.537 0.499 1.00 4.23 ATOM 104 HB1 HIS 7 10.218 -10.357 -0.204 1.00 37.30 ATOM 105 HB2 HIS 7 10.466 -8.624 -0.020 1.00 34.11 ATOM 106 CG HIS 7 8.824 -9.393 1.035 1.00 61.30 ATOM 107 ND1 HIS 7 8.273 -8.178 1.383 1.00 41.04 ATOM 108 HD1 HIS 7 8.719 -7.308 1.320 1.00 74.34 ATOM 109 CD2 HIS 7 7.870 -10.321 1.280 1.00 32.34 ATOM 110 HD2 HIS 7 7.957 -11.387 1.121 1.00 74.43 ATOM 111 CE1 HIS 7 7.041 -8.365 1.820 1.00 12.14 ATOM 112 HE1 HIS 7 6.368 -7.592 2.161 1.00 24.34 ATOM 113 NE2 HIS 7 6.771 -9.657 1.768 1.00 5.11 ATOM 114 HE2 HIS 7 5.893 -10.058 1.938 1.00 37.30 ATOM 115 C HIS 7 10.812 -10.958 2.470 1.00 53.14 ATOM 116 O HIS 7 10.159 -10.749 3.493 1.00 23.50 ATOM 117 N HIS 8 11.163 -12.176 2.071 1.00 20.54 ATOM 118 HN HIS 8 11.674 -12.289 1.235 1.00 37.30 ATOM 119 CA HIS 8 10.794 -13.365 2.832 1.00 61.33 ATOM 120 HA HIS 8 9.726 -13.316 2.996 1.00 72.01 ATOM 121 CB HIS 8 11.131 -14.628 2.039 1.00 24.51 ATOM 122 HB1 HIS 8 12.171 -14.893 2.187 1.00 37.30 ATOM 123 HB2 HIS 8 10.968 -14.437 0.987 1.00 42.24 ATOM 124 CG HIS 8 10.290 -15.811 2.410 1.00 51.33 ATOM 125 ND1 HIS 8 8.950 -15.713 2.722 1.00 43.14 ATOM 126 HD1 HIS 8 8.418 -14.892 2.724 1.00 72.32 ATOM 127 CD2 HIS 8 10.604 -17.123 2.516 1.00 44.12 ATOM 128 HD2 HIS 8 11.575 -17.566 2.341 1.00 32.53 ATOM 129 CE1 HIS 8 8.478 -16.913 3.005 1.00 34.41 ATOM 130 HE1 HIS 8 7.460 -17.141 3.284 1.00 4.31 ATOM 131 NE2 HIS 8 9.461 -17.787 2.887 1.00 23.01 ATOM 132 HE2 HIS 8 9.361 -18.760 2.944 1.00 37.30 ATOM 133 C HIS 8 11.507 -13.391 4.180 1.00 5.21 ATOM 134 O HIS 8 12.724 -13.219 4.253 1.00 63.52 ATOM 135 N SER 9 10.742 -13.605 5.245 1.00 31.13 ATOM 136 HN SER 9 9.774 -13.752 5.130 1.00 37.30 ATOM 137 CA SER 9 11.300 -13.648 6.592 1.00 62.33 ATOM 138 HA SER 9 12.311 -13.254 6.567 1.00 45.30 ATOM 139 CB SER 9 10.477 -12.771 7.537 1.00 52.15 ATOM 140 HB1 SER 9 9.499 -13.209 7.686 1.00 37.30 ATOM 141 HB2 SER 9 10.364 -11.789 7.101 1.00 14.40 ATOM 142 OG SER 9 11.115 -12.637 8.795 1.00 62.24 ATOM 143 HG SER 9 11.808 -11.974 8.738 1.00 2.30 ATOM 144 C SER 9 11.342 -15.080 7.117 1.00 64.34 ATOM 145 O SER 9 10.358 -15.815 7.030 1.00 51.13 ATOM 146 N HIS 10 12.490 -15.470 7.662 1.00 63.53 ATOM 147 HN HIS 10 13.252 -14.845 7.695 1.00 37.30 ATOM 148 CA HIS 10 12.662 -16.814 8.202 1.00 62.52 ATOM 149 HA HIS 10 11.681 -17.246 8.376 1.00 63.43 ATOM 150 CB HIS 10 13.414 -17.696 7.204 1.00 43.41 ATOM 151 HB1 HIS 10 14.436 -17.352 7.114 1.00 37.30 ATOM 152 HB2 HIS 10 12.932 -17.620 6.240 1.00 1.42 ATOM 153 CG HIS 10 13.441 -19.144 7.585 1.00 2.31 ATOM 154 ND1 HIS 10 14.596 -19.807 7.942 1.00 4.41 ATOM 155 HD1 HIS 10 15.493 -19.414 7.982 1.00 12.53 ATOM 156 CD2 HIS 10 12.445 -20.057 7.666 1.00 42.34 ATOM 157 HD2 HIS 10 11.399 -19.884 7.456 1.00 73.22 ATOM 158 CE1 HIS 10 14.310 -21.065 8.224 1.00 61.11 ATOM 159 HE1 HIS 10 15.018 -21.820 8.534 1.00 51.52 ATOM 160 NE2 HIS 10 13.011 -21.243 8.064 1.00 0.43 ATOM 161 HE2 HIS 10 12.549 -22.106 8.114 1.00 37.30 ATOM 162 C HIS 10 13.413 -16.774 9.530 1.00 73.54 ATOM 163 O HIS 10 14.413 -16.071 9.667 1.00 64.42 ATOM 164 N MET 11 12.922 -17.533 10.504 1.00 12.13 ATOM 165 HN MET 11 12.110 -18.069 10.344 1.00 37.30 ATOM 166 CA MET 11 13.547 -17.584 11.821 1.00 51.11 ATOM 167 HA MET 11 14.554 -17.186 11.751 1.00 1.11 ATOM 168 CB MET 11 12.758 -16.732 12.817 1.00 42.52 ATOM 169 HB1 MET 11 12.728 -15.715 12.453 1.00 37.30 ATOM 170 HB2 MET 11 13.274 -16.746 13.769 1.00 55.42 ATOM 171 CG MET 11 11.329 -17.205 13.024 1.00 73.23 ATOM 172 HG1 MET 11 11.317 -18.270 13.199 1.00 37.30 ATOM 173 HG2 MET 11 10.765 -16.986 12.130 1.00 44.34 ATOM 174 SD MET 11 10.527 -16.403 14.426 1.00 62.33 ATOM 175 CE MET 11 8.808 -16.495 13.931 1.00 22.41 ATOM 176 HE1 MET 11 8.190 -16.042 14.692 1.00 72.11 ATOM 177 HE2 MET 11 8.525 -17.529 13.805 1.00 61.34 ATOM 178 HE3 MET 11 8.673 -15.969 12.998 1.00 74.33 ATOM 179 C MET 11 13.638 -19.021 12.324 1.00 2.01 ATOM 180 O MET 11 12.782 -19.850 12.020 1.00 31.20 ATOM 181 N ASN 12 14.682 -19.308 13.095 1.00 20.20 ATOM 182 HN ASN 12 15.335 -18.598 13.307 1.00 37.30 ATOM 183 CA ASN 12 14.885 -20.646 13.639 1.00 0.25 ATOM 184 HA ASN 12 14.925 -21.339 12.805 1.00 54.05 ATOM 185 CB ASN 12 16.202 -20.709 14.415 1.00 44.10 ATOM 186 HB1 ASN 12 16.144 -21.474 15.181 1.00 37.30 ATOM 187 HB2 ASN 12 16.390 -19.755 14.886 1.00 13.44 ATOM 188 CG ASN 12 17.383 -21.038 13.523 1.00 65.35 ATOM 189 OD1 ASN 12 17.272 -21.027 12.297 1.00 54.34 ATOM 190 ND2 ASN 12 18.524 -21.335 14.136 1.00 54.44 ATOM 191 HD21 ASN 12 18.555 -21.329 15.120 1.00 71.34 ATOM 192 HD22 ASN 12 19.299 -21.550 13.576 1.00 42.23 ATOM 193 C ASN 12 13.727 -21.044 14.549 1.00 31.42 ATOM 194 O ASN 12 13.332 -20.288 15.436 1.00 11.41 ATOM 195 N SER 13 13.187 -22.238 14.323 1.00 45.11 ATOM 196 HN SER 13 13.549 -22.803 13.599 1.00 37.30 ATOM 197 CA SER 13 12.073 -22.736 15.120 1.00 75.43 ATOM 198 HA SER 13 11.247 -22.061 14.997 1.00 22.24 ATOM 199 CB SER 13 11.653 -24.126 14.636 1.00 41.35 ATOM 200 HB1 SER 13 11.238 -24.699 15.457 1.00 37.30 ATOM 201 HB2 SER 13 12.510 -24.650 14.237 1.00 3.21 ATOM 202 OG SER 13 10.667 -24.036 13.622 1.00 35.32 ATOM 203 HG SER 13 10.317 -24.911 13.437 1.00 12.01 ATOM 204 C SER 13 12.443 -22.791 16.599 1.00 64.34 ATOM 205 O SER 13 11.582 -22.681 17.470 1.00 11.33 ATOM 206 N ALA 14 13.732 -22.963 16.873 1.00 65.02 ATOM 207 HN ALA 14 14.378 -23.078 16.140 1.00 37.30 ATOM 208 CA ALA 14 14.219 -23.031 18.245 1.00 1.21 ATOM 209 HA ALA 14 13.636 -23.764 18.778 1.00 13.51 ATOM 210 CB ALA 14 15.673 -23.477 18.268 1.00 64.31 ATOM 211 HB1 ALA 14 15.941 -23.914 17.316 1.00 22.52 ATOM 212 HB2 ALA 14 15.808 -24.220 19.031 1.00 33.02 ATOM 213 HB3 ALA 14 16.329 -22.638 18.466 1.00 52.14 ATOM 214 C ALA 14 14.065 -21.687 18.949 1.00 2.11 ATOM 215 O ALA 14 13.781 -21.632 20.145 1.00 5.12 ATOM 216 N GLU 15 14.255 -20.606 18.199 1.00 1.21 ATOM 217 HN GLU 15 14.498 -20.712 17.250 1.00 37.30 ATOM 218 CA GLU 15 14.139 -19.262 18.753 1.00 34.24 ATOM 219 HA GLU 15 14.837 -19.185 19.577 1.00 63.31 ATOM 220 CB GLU 15 14.473 -18.216 17.688 1.00 75.12 ATOM 221 HB1 GLU 15 13.679 -17.481 17.650 1.00 37.30 ATOM 222 HB2 GLU 15 14.536 -18.692 16.722 1.00 24.21 ATOM 223 CG GLU 15 15.791 -17.501 17.929 1.00 2.23 ATOM 224 HG1 GLU 15 16.506 -17.845 17.196 1.00 37.30 ATOM 225 HG2 GLU 15 16.164 -17.725 18.920 1.00 53.12 ATOM 226 CD GLU 15 15.670 -15.995 17.803 1.00 54.44 ATOM 227 OE1 GLU 15 14.849 -15.533 16.982 1.00 34.31 ATOM 228 OE2 GLU 15 16.395 -15.278 18.523 1.00 51.41 ATOM 229 C GLU 15 12.734 -19.018 19.299 1.00 63.54 ATOM 230 O GLU 15 12.561 -18.702 20.475 1.00 22.43 ATOM 231 N GLN 16 11.736 -19.167 18.434 1.00 61.52 ATOM 232 HN GLN 16 11.945 -19.408 17.501 1.00 37.30 ATOM 233 CA GLN 16 10.347 -18.962 18.828 1.00 24.32 ATOM 234 HA GLN 16 10.239 -17.937 19.155 1.00 13.15 ATOM 235 CB GLN 16 9.417 -19.200 17.638 1.00 74.31 ATOM 236 HB1 GLN 16 9.653 -18.481 16.867 1.00 37.30 ATOM 237 HB2 GLN 16 8.393 -19.044 17.957 1.00 11.32 ATOM 238 CG GLN 16 9.539 -20.592 17.039 1.00 50.14 ATOM 239 HG1 GLN 16 9.529 -21.329 17.826 1.00 37.30 ATOM 240 HG2 GLN 16 10.475 -20.659 16.507 1.00 1.43 ATOM 241 CD GLN 16 8.403 -20.921 16.090 1.00 11.04 ATOM 242 OE1 GLN 16 7.251 -21.050 16.505 1.00 55.42 ATOM 243 NE2 GLN 16 8.722 -21.059 14.809 1.00 62.02 ATOM 244 HE21 GLN 16 9.652 -20.939 14.528 1.00 3.53 ATOM 245 HE22 GLN 16 8.000 -21.280 14.184 1.00 32.52 ATOM 246 C GLN 16 9.966 -19.887 19.980 1.00 42.13 ATOM 247 O GLN 16 9.094 -19.564 20.787 1.00 24.14 ATOM 248 N THR 17 10.625 -21.040 20.050 1.00 51.44 ATOM 249 HN THR 17 11.289 -21.271 19.362 1.00 37.30 ATOM 250 CA THR 17 10.354 -22.012 21.101 1.00 42.01 ATOM 251 HA THR 17 9.280 -22.146 21.173 1.00 14.13 ATOM 252 CB THR 17 10.985 -23.379 20.777 1.00 20.53 ATOM 253 HB THR 17 12.050 -23.263 20.708 1.00 2.11 ATOM 254 OG1 THR 17 10.496 -23.859 19.520 1.00 64.04 ATOM 255 HG1 THR 17 9.534 -23.957 19.537 1.00 73.23 ATOM 256 CG2 THR 17 10.671 -24.392 21.868 1.00 2.04 ATOM 257 HG21 THR 17 10.821 -25.371 21.465 1.00 53.40 ATOM 258 HG22 THR 17 9.642 -24.293 22.191 1.00 62.01 ATOM 259 HG23 THR 17 11.333 -24.241 22.708 1.00 24.13 ATOM 260 C THR 17 10.881 -21.528 22.447 1.00 44.33 ATOM 261 O THR 17 10.203 -21.640 23.468 1.00 54.24 ATOM 262 N VAL 18 12.096 -20.988 22.442 1.00 42.12 ATOM 263 HN VAL 18 12.589 -20.920 21.591 1.00 37.30 ATOM 264 CA VAL 18 12.714 -20.484 23.663 1.00 70.33 ATOM 265 HA VAL 18 12.820 -21.313 24.352 1.00 23.32 ATOM 266 CB VAL 18 14.112 -19.901 23.385 1.00 40.32 ATOM 267 HB VAL 18 14.009 -19.072 22.697 1.00 14.24 ATOM 268 CG1 VAL 18 14.737 -19.377 24.669 1.00 62.22 ATOM 269 HG11 VAL 18 15.784 -19.152 24.503 1.00 24.12 ATOM 270 HG12 VAL 18 14.652 -20.119 25.448 1.00 72.34 ATOM 271 HG13 VAL 18 14.232 -18.474 24.978 1.00 43.30 ATOM 272 CG2 VAL 18 15.006 -20.946 22.734 1.00 14.05 ATOM 273 HG21 VAL 18 15.772 -21.276 23.426 1.00 22.53 ATOM 274 HG22 VAL 18 15.480 -20.515 21.866 1.00 32.21 ATOM 275 HG23 VAL 18 14.429 -21.790 22.430 1.00 53.50 ATOM 276 C VAL 18 11.848 -19.412 24.315 1.00 62.31 ATOM 277 O VAL 18 11.538 -19.487 25.505 1.00 43.25 ATOM 278 N THR 19 11.459 -18.414 23.528 1.00 0.10 ATOM 279 HN THR 19 11.735 -18.411 22.580 1.00 37.30 ATOM 280 CA THR 19 10.629 -17.325 24.028 1.00 21.34 ATOM 281 HA THR 19 11.105 -16.907 24.904 1.00 24.40 ATOM 282 CB THR 19 10.485 -16.203 22.984 1.00 45.53 ATOM 283 HB THR 19 10.033 -16.614 22.091 1.00 53.44 ATOM 284 OG1 THR 19 11.775 -15.675 22.651 1.00 75.55 ATOM 285 HG1 THR 19 12.205 -16.251 22.014 1.00 44.13 ATOM 286 CG2 THR 19 9.596 -15.086 23.508 1.00 15.14 ATOM 287 HG21 THR 19 9.880 -14.828 24.520 1.00 4.02 ATOM 288 HG22 THR 19 8.563 -15.400 23.490 1.00 64.23 ATOM 289 HG23 THR 19 9.711 -14.218 22.876 1.00 50.54 ATOM 290 C THR 19 9.242 -17.825 24.415 1.00 13.31 ATOM 291 O THR 19 8.608 -17.285 25.322 1.00 41.21 ATOM 292 N TRP 20 8.776 -18.858 23.723 1.00 41.12 ATOM 293 HN TRP 20 9.317 -19.243 22.995 1.00 37.30 ATOM 294 CA TRP 20 7.463 -19.430 23.995 1.00 35.51 ATOM 295 HA TRP 20 6.726 -18.645 23.895 1.00 24.43 ATOM 296 CB TRP 20 7.143 -20.531 22.982 1.00 41.11 ATOM 297 HB1 TRP 20 7.935 -21.259 22.985 1.00 37.30 ATOM 298 HB2 TRP 20 7.067 -20.092 22.000 1.00 70.01 ATOM 299 CG TRP 20 5.852 -21.239 23.261 1.00 22.24 ATOM 300 CD1 TRP 20 4.656 -20.665 23.584 1.00 33.34 ATOM 301 HD1 TRP 20 4.497 -19.601 23.678 1.00 4.10 ATOM 302 CD2 TRP 20 5.630 -22.653 23.245 1.00 75.45 ATOM 303 NE1 TRP 20 3.703 -21.638 23.769 1.00 13.34 ATOM 304 HE1 TRP 20 2.766 -21.478 24.006 1.00 61.12 ATOM 305 CE2 TRP 20 4.274 -22.866 23.566 1.00 45.42 ATOM 306 CE3 TRP 20 6.442 -23.761 22.987 1.00 0.23 ATOM 307 HE3 TRP 20 7.486 -23.642 22.737 1.00 40.44 ATOM 308 CZ2 TRP 20 3.717 -24.140 23.637 1.00 4.41 ATOM 309 HZ2 TRP 20 2.677 -24.296 23.883 1.00 2.23 ATOM 310 CZ3 TRP 20 5.888 -25.025 23.059 1.00 53.42 ATOM 311 HZ3 TRP 20 6.500 -25.892 22.865 1.00 45.43 ATOM 312 CH2 TRP 20 4.536 -25.206 23.381 1.00 40.23 ATOM 313 HH2 TRP 20 4.159 -26.199 23.424 1.00 12.24 ATOM 314 C TRP 20 7.396 -19.991 25.411 1.00 23.53 ATOM 315 O TRP 20 6.420 -19.774 26.131 1.00 62.43 ATOM 316 N LEU 21 8.439 -20.713 25.806 1.00 21.25 ATOM 317 HN LEU 21 9.192 -20.859 25.185 1.00 37.30 ATOM 318 CA LEU 21 8.499 -21.305 27.138 1.00 22.43 ATOM 319 HA LEU 21 7.588 -21.861 27.305 1.00 33.02 ATOM 320 CB LEU 21 9.691 -22.259 27.241 1.00 72.14 ATOM 321 HB1 LEU 21 9.729 -22.648 28.252 1.00 37.30 ATOM 322 HB2 LEU 21 10.593 -21.685 27.064 1.00 32.31 ATOM 323 CG LEU 21 9.685 -23.446 26.277 1.00 31.41 ATOM 324 HG LEU 21 9.651 -23.081 25.266 1.00 24.32 ATOM 325 CD1 LEU 21 10.954 -24.269 26.436 1.00 33.43 ATOM 326 HD11 LEU 21 11.816 -23.646 26.244 1.00 12.33 ATOM 327 HD12 LEU 21 10.945 -25.089 25.732 1.00 34.12 ATOM 328 HD13 LEU 21 11.012 -24.661 27.442 1.00 12.03 ATOM 329 CD2 LEU 21 8.454 -24.312 26.504 1.00 12.44 ATOM 330 HD21 LEU 21 7.562 -23.743 26.294 1.00 5.53 ATOM 331 HD22 LEU 21 8.430 -24.655 27.529 1.00 60.23 ATOM 332 HD23 LEU 21 8.492 -25.166 25.842 1.00 60.20 ATOM 333 C LEU 21 8.604 -20.225 28.210 1.00 22.43 ATOM 334 O LEU 21 8.165 -20.418 29.344 1.00 35.03 ATOM 335 N ILE 22 9.187 -19.089 27.843 1.00 21.30 ATOM 336 HN ILE 22 9.533 -18.987 26.927 1.00 37.30 ATOM 337 CA ILE 22 9.346 -17.978 28.772 1.00 3.34 ATOM 338 HA ILE 22 9.672 -18.371 29.721 1.00 24.00 ATOM 339 CB ILE 22 10.404 -16.975 28.275 1.00 63.20 ATOM 340 HB ILE 22 10.072 -16.580 27.323 1.00 71.34 ATOM 341 CG1 ILE 22 11.753 -17.674 28.090 1.00 41.50 ATOM 342 HG11 ILE 22 11.609 -18.656 27.674 1.00 37.30 ATOM 343 HG12 ILE 22 12.243 -17.777 29.049 1.00 11.41 ATOM 344 CG2 ILE 22 10.532 -15.813 29.249 1.00 64.50 ATOM 345 HG21 ILE 22 11.256 -15.115 28.873 1.00 43.53 ATOM 346 HG22 ILE 22 10.853 -16.177 30.214 1.00 0.51 ATOM 347 HG23 ILE 22 9.586 -15.303 29.355 1.00 74.21 ATOM 348 CD1 ILE 22 12.698 -16.929 27.173 1.00 4.15 ATOM 349 HD11 ILE 22 12.389 -15.898 27.061 1.00 2.22 ATOM 350 HD12 ILE 22 12.703 -17.406 26.206 1.00 53.54 ATOM 351 HD13 ILE 22 13.691 -16.960 27.579 1.00 65.00 ATOM 352 C ILE 22 8.026 -17.244 28.983 1.00 2.10 ATOM 353 O ILE 22 7.554 -17.103 30.112 1.00 41.13 ATOM 354 N THR 23 7.433 -16.779 27.888 1.00 14.11 ATOM 355 HN THR 23 7.860 -16.922 27.010 1.00 37.30 ATOM 356 CA THR 23 6.166 -16.060 27.952 1.00 64.11 ATOM 357 HA THR 23 6.321 -15.154 28.522 1.00 44.12 ATOM 358 CB THR 23 5.673 -15.666 26.547 1.00 35.20 ATOM 359 HB THR 23 6.475 -15.159 26.029 1.00 40.44 ATOM 360 OG1 THR 23 4.551 -14.783 26.652 1.00 53.50 ATOM 361 HG1 THR 23 4.859 -13.889 26.824 1.00 41.35 ATOM 362 CG2 THR 23 5.281 -16.899 25.746 1.00 55.40 ATOM 363 HG21 THR 23 4.998 -16.596 24.749 1.00 22.33 ATOM 364 HG22 THR 23 4.448 -17.405 26.209 1.00 45.02 ATOM 365 HG23 THR 23 6.123 -17.561 25.684 1.00 60.41 ATOM 366 C THR 23 5.093 -16.897 28.639 1.00 3.33 ATOM 367 O THR 23 4.127 -16.360 29.183 1.00 20.33 ATOM 368 N LEU 24 5.269 -18.213 28.612 1.00 33.23 ATOM 369 HN LEU 24 6.025 -18.600 28.119 1.00 37.30 ATOM 370 CA LEU 24 4.315 -19.125 29.234 1.00 32.03 ATOM 371 HA LEU 24 3.313 -18.796 28.983 1.00 11.22 ATOM 372 CB LEU 24 4.518 -20.546 28.705 1.00 0.22 ATOM 373 HB1 LEU 24 4.175 -21.254 29.454 1.00 37.30 ATOM 374 HB2 LEU 24 5.584 -20.698 28.578 1.00 22.42 ATOM 375 CG LEU 24 3.820 -20.877 27.385 1.00 3.24 ATOM 376 HG LEU 24 3.893 -20.029 26.717 1.00 74.52 ATOM 377 CD1 LEU 24 4.495 -22.059 26.707 1.00 74.01 ATOM 378 HD11 LEU 24 3.759 -22.686 26.221 1.00 41.30 ATOM 379 HD12 LEU 24 5.028 -22.641 27.440 1.00 31.22 ATOM 380 HD13 LEU 24 5.192 -21.706 25.974 1.00 51.04 ATOM 381 CD2 LEU 24 2.345 -21.165 27.620 1.00 55.30 ATOM 382 HD21 LEU 24 1.861 -21.374 26.676 1.00 63.13 ATOM 383 HD22 LEU 24 1.876 -20.304 28.076 1.00 31.23 ATOM 384 HD23 LEU 24 2.239 -22.020 28.274 1.00 51.42 ATOM 385 C LEU 24 4.458 -19.110 30.753 1.00 60.32 ATOM 386 O LEU 24 3.509 -19.404 31.479 1.00 43.31 ATOM 387 N GLY 25 5.651 -18.764 31.226 1.00 24.24 ATOM 388 HN GLY 25 6.390 -18.569 30.620 1.00 37.30 ATOM 389 CA GLY 25 5.896 -18.715 32.656 1.00 64.41 ATOM 390 HA1 GLY 25 5.006 -18.376 33.173 1.00 37.30 ATOM 391 HA2 GLY 25 6.690 -18.007 32.842 1.00 40.35 ATOM 392 C GLY 25 6.309 -20.060 33.220 1.00 64.53 ATOM 393 O GLY 25 5.996 -20.385 34.365 1.00 12.52 ATOM 394 N VAL 26 7.014 -20.848 32.413 1.00 40.52 ATOM 395 HN VAL 26 7.248 -20.532 31.517 1.00 37.30 ATOM 396 CA VAL 26 7.470 -22.166 32.837 1.00 1.33 ATOM 397 HA VAL 26 7.158 -22.346 33.861 1.00 22.12 ATOM 398 CB VAL 26 6.875 -23.277 31.953 1.00 71.33 ATOM 399 HB VAL 26 7.395 -24.206 32.153 1.00 30.33 ATOM 400 CG1 VAL 26 5.406 -23.494 32.283 1.00 40.31 ATOM 401 HG11 VAL 26 4.862 -22.573 32.131 1.00 33.23 ATOM 402 HG12 VAL 26 5.310 -23.800 33.315 1.00 61.20 ATOM 403 HG13 VAL 26 4.997 -24.264 31.643 1.00 33.23 ATOM 404 CG2 VAL 26 7.055 -22.940 30.480 1.00 12.44 ATOM 405 HG21 VAL 26 6.693 -23.764 29.881 1.00 4.21 ATOM 406 HG22 VAL 26 8.099 -22.780 30.260 1.00 31.24 ATOM 407 HG23 VAL 26 6.494 -22.052 30.231 1.00 24.42 ATOM 408 C VAL 26 8.991 -22.260 32.798 1.00 2.12 ATOM 409 O VAL 26 9.601 -22.977 33.593 1.00 74.22 ATOM 410 N LEU 27 9.600 -21.531 31.869 1.00 13.12 ATOM 411 HN LEU 27 9.082 -20.996 31.235 1.00 37.30 ATOM 412 CA LEU 27 11.052 -21.531 31.726 1.00 75.00 ATOM 413 HA LEU 27 11.479 -22.162 32.495 1.00 13.42 ATOM 414 CB LEU 27 11.449 -22.097 30.362 1.00 40.15 ATOM 415 HB1 LEU 27 10.990 -21.476 29.603 1.00 37.30 ATOM 416 HB2 LEU 27 11.033 -23.090 30.279 1.00 10.14 ATOM 417 CG LEU 27 12.950 -22.170 30.076 1.00 15.15 ATOM 418 HG LEU 27 13.383 -21.188 30.178 1.00 43.10 ATOM 419 CD1 LEU 27 13.638 -23.090 31.073 1.00 50.22 ATOM 420 HD11 LEU 27 13.227 -24.083 30.990 1.00 5.20 ATOM 421 HD12 LEU 27 13.495 -22.726 32.076 1.00 64.42 ATOM 422 HD13 LEU 27 14.697 -23.126 30.860 1.00 2.23 ATOM 423 CD2 LEU 27 13.199 -22.642 28.651 1.00 4.35 ATOM 424 HD21 LEU 27 14.263 -22.666 28.457 1.00 22.12 ATOM 425 HD22 LEU 27 12.727 -21.961 27.956 1.00 11.11 ATOM 426 HD23 LEU 27 12.788 -23.633 28.517 1.00 31.21 ATOM 427 C LEU 27 11.615 -20.123 31.889 1.00 31.01 ATOM 428 O LEU 27 11.028 -19.151 31.415 1.00 71.12 ATOM 429 N GLU 28 12.758 -20.022 32.561 1.00 35.41 ATOM 430 HN GLU 28 13.182 -20.835 32.920 1.00 37.30 ATOM 431 CA GLU 28 13.400 -18.733 32.785 1.00 44.12 ATOM 432 HA GLU 28 12.649 -18.036 33.138 1.00 73.41 ATOM 433 CB GLU 28 14.488 -18.859 33.853 1.00 5.12 ATOM 434 HB1 GLU 28 14.076 -19.377 34.708 1.00 37.30 ATOM 435 HB2 GLU 28 14.791 -17.867 34.156 1.00 52.33 ATOM 436 CG GLU 28 15.720 -19.613 33.381 1.00 21.44 ATOM 437 HG1 GLU 28 16.166 -19.086 32.551 1.00 37.30 ATOM 438 HG2 GLU 28 15.423 -20.600 33.061 1.00 64.05 ATOM 439 CD GLU 28 16.769 -19.755 34.467 1.00 1.23 ATOM 440 OE1 GLU 28 16.421 -20.219 35.573 1.00 73.44 ATOM 441 OE2 GLU 28 17.939 -19.401 34.211 1.00 40.23 ATOM 442 C GLU 28 14.003 -18.194 31.491 1.00 51.53 ATOM 443 O GLU 28 14.306 -18.953 30.571 1.00 73.14 ATOM 444 N SER 29 14.173 -16.877 31.428 1.00 42.20 ATOM 445 HN SER 29 13.930 -16.320 32.206 1.00 37.30 ATOM 446 CA SER 29 14.735 -16.234 30.246 1.00 62.23 ATOM 447 HA SER 29 14.454 -16.823 29.390 1.00 53.34 ATOM 448 CB SER 29 14.166 -14.823 30.087 1.00 3.13 ATOM 449 HB1 SER 29 14.960 -14.087 30.101 1.00 37.30 ATOM 450 HB2 SER 29 13.479 -14.610 30.894 1.00 4.24 ATOM 451 OG SER 29 13.462 -14.691 28.865 1.00 62.04 ATOM 452 HG SER 29 13.232 -13.769 28.726 1.00 33.31 ATOM 453 C SER 29 16.257 -16.175 30.332 1.00 43.55 ATOM 454 O SER 29 16.849 -16.280 31.406 1.00 34.12 ATOM 455 N PRO 30 16.908 -16.001 29.172 1.00 61.24 ATOM 456 CA PRO 30 18.369 -15.923 29.088 1.00 45.11 ATOM 457 HA PRO 30 18.840 -16.774 29.560 1.00 50.33 ATOM 458 CB PRO 30 18.641 -15.956 27.582 1.00 52.42 ATOM 459 HB1 PRO 30 18.817 -16.970 27.292 1.00 37.30 ATOM 460 HB2 PRO 30 19.500 -15.354 27.317 1.00 23.44 ATOM 461 CG PRO 30 17.395 -15.426 26.961 1.00 54.32 ATOM 462 HG1 PRO 30 17.272 -15.834 25.971 1.00 37.30 ATOM 463 HG2 PRO 30 17.437 -14.348 26.919 1.00 24.23 ATOM 464 CD PRO 30 16.267 -15.868 27.852 1.00 3.35 ATOM 465 HD1 PRO 30 15.870 -16.814 27.517 1.00 37.30 ATOM 466 HD2 PRO 30 15.505 -15.118 27.855 1.00 70.52 ATOM 467 C PRO 30 18.917 -14.638 29.700 1.00 22.21 ATOM 468 O PRO 30 18.185 -13.879 30.335 1.00 53.12 ATOM 469 N LYS 31 20.210 -14.400 29.505 1.00 13.34 ATOM 470 HN LYS 31 20.761 -15.059 29.022 1.00 37.30 ATOM 471 CA LYS 31 20.856 -13.206 30.036 1.00 5.35 ATOM 472 HA LYS 31 20.184 -12.713 30.709 1.00 71.22 ATOM 473 CB LYS 31 22.139 -13.584 30.781 1.00 11.31 ATOM 474 HB1 LYS 31 22.680 -12.696 31.065 1.00 37.30 ATOM 475 HB2 LYS 31 22.760 -14.161 30.110 1.00 22.24 ATOM 476 CG LYS 31 21.896 -14.426 32.022 1.00 43.33 ATOM 477 HG1 LYS 31 22.842 -14.613 32.510 1.00 37.30 ATOM 478 HG2 LYS 31 21.451 -15.364 31.726 1.00 5.52 ATOM 479 CD LYS 31 20.963 -13.727 32.996 1.00 11.11 ATOM 480 HD1 LYS 31 20.861 -14.352 33.872 1.00 37.30 ATOM 481 HD2 LYS 31 19.992 -13.596 32.548 1.00 64.35 ATOM 482 CE LYS 31 21.519 -12.380 33.432 1.00 52.24 ATOM 483 HE1 LYS 31 22.601 -12.388 33.374 1.00 37.30 ATOM 484 HE2 LYS 31 21.223 -12.206 34.456 1.00 55.54 ATOM 485 NZ LYS 31 20.996 -11.266 32.592 1.00 31.34 ATOM 486 HZ1 LYS 31 19.989 -11.407 32.364 1.00 64.23 ATOM 487 HZ2 LYS 31 21.533 -11.173 31.715 1.00 24.40 ATOM 488 HZ3 LYS 31 21.084 -10.372 33.117 1.00 11.14 ATOM 489 C LYS 31 21.177 -12.218 28.919 1.00 1.02 ATOM 490 O LYS 31 21.260 -11.011 29.148 1.00 32.10 ATOM 491 N LYS 32 21.356 -12.738 27.709 1.00 14.35 ATOM 492 HN LYS 32 21.321 -13.710 27.578 1.00 37.30 ATOM 493 CA LYS 32 21.664 -11.902 26.555 1.00 23.12 ATOM 494 HA LYS 32 21.172 -10.945 26.676 1.00 4.43 ATOM 495 CB LYS 32 23.174 -11.671 26.456 1.00 11.01 ATOM 496 HB1 LYS 32 23.384 -11.026 25.615 1.00 37.30 ATOM 497 HB2 LYS 32 23.664 -12.623 26.299 1.00 32.44 ATOM 498 CG LYS 32 23.773 -11.028 27.695 1.00 43.34 ATOM 499 HG1 LYS 32 23.618 -11.684 28.536 1.00 37.30 ATOM 500 HG2 LYS 32 23.287 -10.082 27.874 1.00 72.43 ATOM 501 CD LYS 32 25.267 -10.797 27.536 1.00 71.50 ATOM 502 HD1 LYS 32 25.426 -10.045 26.778 1.00 37.30 ATOM 503 HD2 LYS 32 25.742 -11.721 27.235 1.00 1.43 ATOM 504 CE LYS 32 25.900 -10.328 28.837 1.00 32.51 ATOM 505 HE1 LYS 32 26.957 -10.178 28.673 1.00 37.30 ATOM 506 HE2 LYS 32 25.759 -11.090 29.591 1.00 45.01 ATOM 507 NZ LYS 32 25.300 -9.053 29.318 1.00 72.14 ATOM 508 HZ1 LYS 32 25.840 -8.696 30.132 1.00 44.51 ATOM 509 HZ2 LYS 32 24.316 -9.204 29.617 1.00 52.44 ATOM 510 HZ3 LYS 32 25.318 -8.332 28.565 1.00 1.32 ATOM 511 C LYS 32 21.152 -12.541 25.268 1.00 14.24 ATOM 512 O LYS 32 20.463 -13.561 25.301 1.00 62.55 ATOM 513 N THR 33 21.493 -11.935 24.135 1.00 15.43 ATOM 514 HN THR 33 22.013 -11.101 24.162 1.00 37.30 ATOM 515 CA THR 33 21.067 -12.444 22.838 1.00 61.21 ATOM 516 HA THR 33 19.982 -12.509 22.853 1.00 3.45 ATOM 517 CB THR 33 21.479 -11.493 21.698 1.00 21.33 ATOM 518 HB THR 33 22.518 -11.666 21.440 1.00 65.14 ATOM 519 OG1 THR 33 21.342 -10.132 22.122 1.00 73.41 ATOM 520 HG1 THR 33 21.924 -9.570 21.603 1.00 62.13 ATOM 521 CG2 THR 33 20.629 -11.733 20.460 1.00 53.52 ATOM 522 HG21 THR 33 20.758 -12.752 20.123 1.00 73.30 ATOM 523 HG22 THR 33 20.937 -11.056 19.677 1.00 35.21 ATOM 524 HG23 THR 33 19.588 -11.560 20.695 1.00 64.35 ATOM 525 C THR 33 21.655 -13.825 22.570 1.00 51.11 ATOM 526 O THR 33 22.840 -13.956 22.263 1.00 62.13 ATOM 527 N ILE 34 20.820 -14.851 22.687 1.00 35.42 ATOM 528 HN ILE 34 19.875 -14.679 22.912 1.00 37.30 ATOM 529 CA ILE 34 21.257 -16.222 22.455 1.00 22.35 ATOM 530 HA ILE 34 22.123 -16.405 23.086 1.00 72.32 ATOM 531 CB ILE 34 20.164 -17.235 22.842 1.00 34.52 ATOM 532 HB ILE 34 19.299 -17.058 22.217 1.00 30.33 ATOM 533 CG1 ILE 34 19.765 -17.054 24.308 1.00 12.21 ATOM 534 HG11 ILE 34 19.503 -16.023 24.493 1.00 37.30 ATOM 535 HG12 ILE 34 20.596 -17.323 24.944 1.00 64.34 ATOM 536 CG2 ILE 34 20.645 -18.656 22.591 1.00 64.52 ATOM 537 HG21 ILE 34 21.531 -18.849 23.180 1.00 13.53 ATOM 538 HG22 ILE 34 20.875 -18.793 21.546 1.00 32.34 ATOM 539 HG23 ILE 34 19.881 -19.363 22.862 1.00 2.32 ATOM 540 CD1 ILE 34 18.577 -17.896 24.720 1.00 5.41 ATOM 541 HD11 ILE 34 17.667 -17.375 24.463 1.00 11.44 ATOM 542 HD12 ILE 34 18.605 -18.060 25.779 1.00 4.32 ATOM 543 HD13 ILE 34 18.584 -18.852 24.227 1.00 2.42 ATOM 544 C ILE 34 21.641 -16.438 20.995 1.00 14.43 ATOM 545 O ILE 34 20.833 -16.220 20.092 1.00 10.13 ATOM 546 N SER 35 22.878 -16.868 20.771 1.00 30.24 ATOM 547 HN SER 35 23.479 -17.042 21.534 1.00 37.30 ATOM 548 CA SER 35 23.370 -17.112 19.420 1.00 11.44 ATOM 549 HA SER 35 22.829 -16.477 18.728 1.00 43.15 ATOM 550 CB SER 35 24.857 -16.766 19.326 1.00 1.53 ATOM 551 HB1 SER 35 25.460 -17.603 19.655 1.00 37.30 ATOM 552 HB2 SER 35 25.066 -15.912 19.957 1.00 33.25 ATOM 553 OG SER 35 25.221 -16.436 17.997 1.00 51.30 ATOM 554 HG SER 35 24.966 -15.529 17.807 1.00 35.50 ATOM 555 C SER 35 23.148 -18.566 19.015 1.00 12.41 ATOM 556 O SER 35 23.056 -18.884 17.829 1.00 25.04 ATOM 557 N ASP 36 23.062 -19.443 20.009 1.00 60.35 ATOM 558 HN ASP 36 23.168 -19.152 20.941 1.00 37.30 ATOM 559 CA ASP 36 22.850 -20.864 19.757 1.00 34.13 ATOM 560 HA ASP 36 22.649 -21.019 18.704 1.00 70.33 ATOM 561 CB ASP 36 24.103 -21.661 20.123 1.00 34.30 ATOM 562 HB1 ASP 36 23.839 -22.693 20.326 1.00 37.30 ATOM 563 HB2 ASP 36 24.555 -21.235 21.007 1.00 75.33 ATOM 564 CG ASP 36 25.134 -21.661 19.012 1.00 40.30 ATOM 565 OD1 ASP 36 26.095 -20.868 19.096 1.00 41.03 ATOM 566 OD2 ASP 36 24.980 -22.452 18.058 1.00 32.32 ATOM 567 C ASP 36 21.653 -21.383 20.548 1.00 13.22 ATOM 568 O ASP 36 21.796 -22.086 21.548 1.00 21.42 ATOM 569 N PRO 37 20.443 -21.027 20.092 1.00 75.31 ATOM 570 CA PRO 37 19.197 -21.445 20.742 1.00 21.42 ATOM 571 HA PRO 37 19.195 -21.195 21.793 1.00 53.31 ATOM 572 CB PRO 37 18.126 -20.626 20.017 1.00 21.34 ATOM 573 HB1 PRO 37 17.939 -19.717 20.568 1.00 37.30 ATOM 574 HB2 PRO 37 17.204 -21.188 19.928 1.00 41.22 ATOM 575 CG PRO 37 18.716 -20.328 18.682 1.00 22.34 ATOM 576 HG1 PRO 37 18.308 -19.405 18.298 1.00 37.30 ATOM 577 HG2 PRO 37 18.514 -21.142 18.001 1.00 53.14 ATOM 578 CD PRO 37 20.197 -20.190 18.906 1.00 72.25 ATOM 579 HD1 PRO 37 20.453 -19.159 19.100 1.00 37.30 ATOM 580 HD2 PRO 37 20.733 -20.560 18.046 1.00 4.35 ATOM 581 C PRO 37 18.929 -22.937 20.577 1.00 63.41 ATOM 582 O PRO 37 18.135 -23.520 21.314 1.00 13.53 ATOM 583 N GLU 38 19.598 -23.550 19.605 1.00 41.12 ATOM 584 HN GLU 38 20.199 -23.038 19.021 1.00 37.30 ATOM 585 CA GLU 38 19.431 -24.975 19.344 1.00 52.22 ATOM 586 HA GLU 38 18.374 -25.173 19.226 1.00 11.45 ATOM 587 CB GLU 38 20.162 -25.370 18.059 1.00 54.32 ATOM 588 HB1 GLU 38 20.274 -26.450 18.035 1.00 37.30 ATOM 589 HB2 GLU 38 21.144 -24.919 18.064 1.00 74.21 ATOM 590 CG GLU 38 19.446 -24.932 16.792 1.00 11.42 ATOM 591 HG1 GLU 38 19.784 -23.940 16.530 1.00 37.30 ATOM 592 HG2 GLU 38 18.378 -24.911 16.969 1.00 63.33 ATOM 593 CD GLU 38 19.711 -25.859 15.622 1.00 53.10 ATOM 594 OE1 GLU 38 19.223 -27.008 15.652 1.00 11.15 ATOM 595 OE2 GLU 38 20.406 -25.435 14.675 1.00 1.52 ATOM 596 C GLU 38 19.949 -25.807 20.513 1.00 4.32 ATOM 597 O GLU 38 19.365 -26.829 20.869 1.00 12.14 ATOM 598 N GLY 39 21.053 -25.360 21.106 1.00 35.44 ATOM 599 HN GLY 39 21.500 -24.547 20.781 1.00 37.30 ATOM 600 CA GLY 39 21.632 -26.075 22.228 1.00 5.04 ATOM 601 HA1 GLY 39 22.693 -25.873 22.251 1.00 37.30 ATOM 602 HA2 GLY 39 21.489 -27.142 22.102 1.00 23.24 ATOM 603 C GLY 39 21.035 -25.653 23.556 1.00 1.30 ATOM 604 O GLY 39 20.816 -26.483 24.439 1.00 43.33 ATOM 605 N PHE 40 20.772 -24.358 23.699 1.00 33.15 ATOM 606 HN PHE 40 20.981 -23.735 22.963 1.00 37.30 ATOM 607 CA PHE 40 20.198 -23.826 24.930 1.00 24.44 ATOM 608 HA PHE 40 20.894 -24.019 25.735 1.00 40.11 ATOM 609 CB PHE 40 19.989 -22.315 24.810 1.00 63.54 ATOM 610 HB1 PHE 40 19.444 -22.110 23.897 1.00 37.30 ATOM 611 HB2 PHE 40 20.957 -21.833 24.752 1.00 53.02 ATOM 612 CG PHE 40 19.233 -21.721 25.963 1.00 52.10 ATOM 613 CD1 PHE 40 19.887 -21.384 27.137 1.00 15.13 ATOM 614 HD1 PHE 40 20.952 -21.551 27.223 1.00 23.31 ATOM 615 CD2 PHE 40 17.868 -21.498 25.873 1.00 63.53 ATOM 616 HD2 PHE 40 17.343 -21.756 24.963 1.00 1.40 ATOM 617 CE1 PHE 40 19.193 -20.837 28.200 1.00 35.52 ATOM 618 HE1 PHE 40 19.714 -20.579 29.110 1.00 54.41 ATOM 619 CE2 PHE 40 17.169 -20.952 26.932 1.00 0.23 ATOM 620 HE2 PHE 40 16.108 -20.786 26.851 1.00 33.21 ATOM 621 CZ PHE 40 17.832 -20.620 28.097 1.00 4.02 ATOM 622 HZ PHE 40 17.288 -20.193 28.926 1.00 20.54 ATOM 623 C PHE 40 18.873 -24.510 25.253 1.00 22.41 ATOM 624 O PHE 40 18.463 -24.580 26.413 1.00 41.25 ATOM 625 N LEU 41 18.207 -25.014 24.220 1.00 44.13 ATOM 626 HN LEU 41 18.551 -24.899 23.307 1.00 37.30 ATOM 627 CA LEU 41 16.928 -25.693 24.391 1.00 14.34 ATOM 628 HA LEU 41 16.394 -25.216 25.201 1.00 21.33 ATOM 629 CB LEU 41 16.098 -25.592 23.110 1.00 45.22 ATOM 630 HB1 LEU 41 15.422 -26.440 23.054 1.00 37.30 ATOM 631 HB2 LEU 41 16.783 -25.656 22.275 1.00 32.21 ATOM 632 CG LEU 41 15.269 -24.318 22.946 1.00 73.03 ATOM 633 HG LEU 41 15.908 -23.465 23.106 1.00 62.34 ATOM 634 CD1 LEU 41 14.702 -24.228 21.537 1.00 3.32 ATOM 635 HD11 LEU 41 13.827 -23.606 21.531 1.00 2.14 ATOM 636 HD12 LEU 41 14.443 -25.211 21.165 1.00 24.13 ATOM 637 HD13 LEU 41 15.447 -23.789 20.907 1.00 75.14 ATOM 638 CD2 LEU 41 14.150 -24.274 23.976 1.00 10.23 ATOM 639 HD21 LEU 41 14.568 -24.264 24.971 1.00 3.50 ATOM 640 HD22 LEU 41 13.515 -25.141 23.863 1.00 21.34 ATOM 641 HD23 LEU 41 13.560 -23.379 23.832 1.00 1.44 ATOM 642 C LEU 41 17.134 -27.157 24.763 1.00 34.54 ATOM 643 O LEU 41 16.510 -27.664 25.696 1.00 40.04 ATOM 644 N GLN 42 18.014 -27.831 24.029 1.00 14.15 ATOM 645 HN GLN 42 18.476 -27.374 23.286 1.00 37.30 ATOM 646 CA GLN 42 18.303 -29.237 24.284 1.00 74.30 ATOM 647 HA GLN 42 17.413 -29.806 24.054 1.00 12.02 ATOM 648 CB GLN 42 19.444 -29.716 23.385 1.00 3.24 ATOM 649 HB1 GLN 42 20.335 -29.143 23.605 1.00 37.30 ATOM 650 HB2 GLN 42 19.163 -29.531 22.357 1.00 4.13 ATOM 651 CG GLN 42 19.748 -31.199 23.525 1.00 12.21 ATOM 652 HG1 GLN 42 20.104 -31.562 22.572 1.00 37.30 ATOM 653 HG2 GLN 42 18.841 -31.731 23.787 1.00 60.54 ATOM 654 CD GLN 42 20.812 -31.481 24.568 1.00 74.14 ATOM 655 OE1 GLN 42 21.816 -30.774 24.654 1.00 41.05 ATOM 656 NE2 GLN 42 20.596 -32.519 25.367 1.00 4.05 ATOM 657 HE21 GLN 42 19.776 -33.051 25.254 1.00 23.12 ATOM 658 HE22 GLN 42 21.272 -32.717 26.048 1.00 51.34 ATOM 659 C GLN 42 18.664 -29.462 25.748 1.00 31.45 ATOM 660 O GLN 42 18.247 -30.448 26.356 1.00 14.44 ATOM 661 N ALA 43 19.442 -28.543 26.309 1.00 45.41 ATOM 662 HN ALA 43 19.756 -27.778 25.771 1.00 37.30 ATOM 663 CA ALA 43 19.859 -28.640 27.702 1.00 35.15 ATOM 664 HA ALA 43 20.314 -29.611 27.854 1.00 40.11 ATOM 665 CB ALA 43 20.904 -27.581 28.016 1.00 3.54 ATOM 666 HB1 ALA 43 20.474 -26.597 27.893 1.00 63.15 ATOM 667 HB2 ALA 43 21.740 -27.693 27.341 1.00 40.13 ATOM 668 HB3 ALA 43 21.248 -27.699 29.034 1.00 73.14 ATOM 669 C ALA 43 18.666 -28.504 28.642 1.00 15.54 ATOM 670 O ALA 43 18.504 -29.291 29.575 1.00 62.14 ATOM 671 N SER 44 17.832 -27.499 28.392 1.00 44.35 ATOM 672 HN SER 44 18.013 -26.900 27.629 1.00 37.30 ATOM 673 CA SER 44 16.656 -27.256 29.219 1.00 61.34 ATOM 674 HA SER 44 16.971 -27.213 30.254 1.00 72.34 ATOM 675 CB SER 44 16.010 -25.921 28.845 1.00 3.41 ATOM 676 HB1 SER 44 14.939 -25.966 29.005 1.00 37.30 ATOM 677 HB2 SER 44 16.200 -25.697 27.805 1.00 44.14 ATOM 678 OG SER 44 16.526 -24.865 29.638 1.00 32.53 ATOM 679 HG SER 44 17.374 -24.582 29.287 1.00 25.01 ATOM 680 C SER 44 15.642 -28.385 29.064 1.00 34.34 ATOM 681 O SER 44 14.842 -28.644 29.964 1.00 35.25 ATOM 682 N LEU 45 15.681 -29.054 27.918 1.00 73.55 ATOM 683 HN LEU 45 16.331 -28.804 27.223 1.00 37.30 ATOM 684 CA LEU 45 14.765 -30.157 27.643 1.00 3.23 ATOM 685 HA LEU 45 13.823 -29.962 28.143 1.00 24.34 ATOM 686 CB LEU 45 14.500 -30.263 26.141 1.00 75.23 ATOM 687 HB1 LEU 45 13.919 -31.142 25.955 1.00 37.30 ATOM 688 HB2 LEU 45 15.459 -30.378 25.656 1.00 52.31 ATOM 689 CG LEU 45 13.775 -29.078 25.502 1.00 71.03 ATOM 690 HG LEU 45 14.156 -28.156 25.917 1.00 64.20 ATOM 691 CD1 LEU 45 14.019 -29.049 24.001 1.00 61.21 ATOM 692 HD11 LEU 45 15.073 -29.166 23.798 1.00 11.31 ATOM 693 HD12 LEU 45 13.683 -28.103 23.604 1.00 30.15 ATOM 694 HD13 LEU 45 13.474 -29.835 23.541 1.00 44.14 ATOM 695 CD2 LEU 45 12.284 -29.141 25.800 1.00 0.52 ATOM 696 HD21 LEU 45 11.853 -29.992 25.298 1.00 50.44 ATOM 697 HD22 LEU 45 11.810 -28.236 25.457 1.00 55.24 ATOM 698 HD23 LEU 45 12.131 -29.235 26.864 1.00 44.15 ATOM 699 C LEU 45 15.328 -31.475 28.166 1.00 12.44 ATOM 700 O LEU 45 14.587 -32.430 28.399 1.00 13.24 ATOM 701 N LYS 46 16.643 -31.519 28.351 1.00 51.20 ATOM 702 HN LYS 46 17.196 -30.742 28.120 1.00 37.30 ATOM 703 CA LYS 46 17.306 -32.718 28.850 1.00 0.41 ATOM 704 HA LYS 46 17.218 -33.482 28.089 1.00 3.12 ATOM 705 CB LYS 46 18.786 -32.434 29.114 1.00 5.13 ATOM 706 HB1 LYS 46 18.891 -31.894 30.048 1.00 37.30 ATOM 707 HB2 LYS 46 19.166 -31.813 28.313 1.00 3.23 ATOM 708 CG LYS 46 19.645 -33.686 29.173 1.00 14.25 ATOM 709 HG1 LYS 46 19.738 -34.090 28.175 1.00 37.30 ATOM 710 HG2 LYS 46 19.156 -34.412 29.811 1.00 64.32 ATOM 711 CD LYS 46 21.033 -33.385 29.714 1.00 75.40 ATOM 712 HD1 LYS 46 21.005 -32.500 30.338 1.00 37.30 ATOM 713 HD2 LYS 46 21.701 -33.216 28.883 1.00 1.52 ATOM 714 CE LYS 46 21.570 -34.542 30.543 1.00 43.14 ATOM 715 HE1 LYS 46 21.553 -35.443 29.944 1.00 37.30 ATOM 716 HE2 LYS 46 20.938 -34.674 31.409 1.00 33.12 ATOM 717 NZ LYS 46 22.966 -34.296 30.999 1.00 43.53 ATOM 718 HZ1 LYS 46 23.009 -33.438 31.588 1.00 74.31 ATOM 719 HZ2 LYS 46 23.598 -34.174 30.181 1.00 62.33 ATOM 720 HZ3 LYS 46 23.303 -35.104 31.561 1.00 62.14 ATOM 721 C LYS 46 16.638 -33.218 30.127 1.00 54.52 ATOM 722 O LYS 46 16.166 -34.353 30.188 1.00 21.11 ATOM 723 N ASP 47 16.599 -32.363 31.143 1.00 44.42 ATOM 724 HN ASP 47 17.005 -31.471 31.031 1.00 37.30 ATOM 725 CA ASP 47 15.986 -32.717 32.418 1.00 42.14 ATOM 726 HA ASP 47 16.530 -33.555 32.830 1.00 45.10 ATOM 727 CB ASP 47 16.075 -31.543 33.394 1.00 30.23 ATOM 728 HB1 ASP 47 17.116 -31.348 33.609 1.00 37.30 ATOM 729 HB2 ASP 47 15.569 -31.795 34.314 1.00 44.42 ATOM 730 CG ASP 47 15.462 -30.275 32.833 1.00 34.42 ATOM 731 OD1 ASP 47 16.125 -29.607 32.013 1.00 65.42 ATOM 732 OD2 ASP 47 14.317 -29.952 33.214 1.00 43.33 ATOM 733 C ASP 47 14.529 -33.125 32.225 1.00 70.22 ATOM 734 O ASP 47 14.084 -34.143 32.754 1.00 54.42 ATOM 735 N GLY 48 13.790 -32.323 31.464 1.00 45.13 ATOM 736 HN GLY 48 14.190 -31.544 31.024 1.00 37.30 ATOM 737 CA GLY 48 12.391 -32.617 31.216 1.00 42.13 ATOM 738 HA1 GLY 48 12.228 -33.680 31.214 1.00 37.30 ATOM 739 HA2 GLY 48 12.140 -32.236 30.237 1.00 20.25 ATOM 740 C GLY 48 11.473 -31.959 32.226 1.00 34.02 ATOM 741 O GLY 48 10.274 -31.814 31.984 1.00 2.34 ATOM 742 N VAL 49 12.034 -31.561 33.363 1.00 23.23 ATOM 743 HN VAL 49 12.989 -31.659 33.489 1.00 37.30 ATOM 744 CA VAL 49 11.258 -30.916 34.415 1.00 55.31 ATOM 745 HA VAL 49 10.563 -31.646 34.810 1.00 71.12 ATOM 746 CB VAL 49 12.162 -30.431 35.563 1.00 10.54 ATOM 747 HB VAL 49 12.833 -29.674 35.180 1.00 13.22 ATOM 748 CG1 VAL 49 11.329 -29.807 36.673 1.00 74.33 ATOM 749 HG11 VAL 49 10.548 -30.492 36.976 1.00 32.33 ATOM 750 HG12 VAL 49 10.885 -28.886 36.327 1.00 74.34 ATOM 751 HG13 VAL 49 11.961 -29.590 37.525 1.00 52.43 ATOM 752 CG2 VAL 49 13.004 -31.578 36.099 1.00 64.52 ATOM 753 HG21 VAL 49 13.672 -31.935 35.336 1.00 3.15 ATOM 754 HG22 VAL 49 12.357 -32.378 36.408 1.00 62.22 ATOM 755 HG23 VAL 49 13.585 -31.239 36.947 1.00 0.11 ATOM 756 C VAL 49 10.470 -29.731 33.868 1.00 51.34 ATOM 757 O VAL 49 9.392 -29.405 34.365 1.00 1.53 ATOM 758 N VAL 50 11.015 -29.089 32.839 1.00 61.00 ATOM 759 HN VAL 50 11.897 -29.361 32.498 1.00 37.30 ATOM 760 CA VAL 50 10.363 -27.940 32.222 1.00 71.31 ATOM 761 HA VAL 50 9.878 -27.361 32.997 1.00 14.34 ATOM 762 CB VAL 50 11.383 -27.030 31.513 1.00 11.51 ATOM 763 HB VAL 50 11.884 -27.606 30.746 1.00 35.02 ATOM 764 CG1 VAL 50 10.679 -25.858 30.845 1.00 62.44 ATOM 765 HG11 VAL 50 11.417 -25.191 30.424 1.00 24.42 ATOM 766 HG12 VAL 50 10.088 -25.321 31.573 1.00 23.01 ATOM 767 HG13 VAL 50 10.039 -26.211 30.051 1.00 42.31 ATOM 768 CG2 VAL 50 12.433 -26.539 32.498 1.00 24.20 ATOM 769 HG21 VAL 50 11.963 -25.936 33.263 1.00 52.44 ATOM 770 HG22 VAL 50 13.169 -25.948 31.977 1.00 65.01 ATOM 771 HG23 VAL 50 12.924 -27.384 32.960 1.00 75.11 ATOM 772 C VAL 50 9.307 -28.383 31.215 1.00 44.02 ATOM 773 O VAL 50 8.293 -27.710 31.025 1.00 23.03 ATOM 774 N LEU 51 9.552 -29.519 30.571 1.00 33.12 ATOM 775 HN LEU 51 10.394 -29.997 30.732 1.00 37.30 ATOM 776 CA LEU 51 8.622 -30.054 29.583 1.00 54.45 ATOM 777 HA LEU 51 8.502 -29.314 28.805 1.00 43.21 ATOM 778 CB LEU 51 9.176 -31.345 28.978 1.00 35.12 ATOM 779 HB1 LEU 51 8.347 -31.962 28.646 1.00 37.30 ATOM 780 HB2 LEU 51 9.693 -31.884 29.754 1.00 50.44 ATOM 781 CG LEU 51 10.131 -31.177 27.796 1.00 33.20 ATOM 782 HG LEU 51 10.909 -30.484 28.072 1.00 61.23 ATOM 783 CD1 LEU 51 10.786 -32.504 27.447 1.00 62.42 ATOM 784 HD11 LEU 51 10.029 -33.220 27.156 1.00 60.33 ATOM 785 HD12 LEU 51 11.324 -32.880 28.305 1.00 24.24 ATOM 786 HD13 LEU 51 11.478 -32.363 26.629 1.00 12.10 ATOM 787 CD2 LEU 51 9.394 -30.611 26.591 1.00 13.11 ATOM 788 HD21 LEU 51 10.006 -30.704 25.711 1.00 71.54 ATOM 789 HD22 LEU 51 9.174 -29.569 26.760 1.00 22.33 ATOM 790 HD23 LEU 51 8.468 -31.152 26.437 1.00 13.34 ATOM 791 C LEU 51 7.255 -30.316 30.207 1.00 72.03 ATOM 792 O LEU 51 6.227 -29.896 29.674 1.00 60.24 ATOM 793 N CYS 52 7.251 -31.010 31.339 1.00 20.41 ATOM 794 HN CYS 52 8.108 -31.324 31.716 1.00 37.30 ATOM 795 CA CYS 52 6.010 -31.328 32.037 1.00 2.43 ATOM 796 HA CYS 52 5.399 -31.927 31.374 1.00 61.22 ATOM 797 CB CYS 52 6.306 -32.114 33.315 1.00 64.20 ATOM 798 HB1 CYS 52 5.558 -31.891 34.067 1.00 37.30 ATOM 799 HB2 CYS 52 7.277 -31.832 33.697 1.00 52.31 ATOM 800 SG CYS 52 6.311 -33.909 33.093 1.00 51.41 ATOM 801 HG CYS 52 7.485 -34.255 32.584 1.00 22.23 ATOM 802 C CYS 52 5.237 -30.057 32.375 1.00 35.53 ATOM 803 O CYS 52 4.037 -29.962 32.117 1.00 73.25 ATOM 804 N ARG 53 5.931 -29.085 32.956 1.00 1.32 ATOM 805 HN ARG 53 6.890 -29.223 33.147 1.00 37.30 ATOM 806 CA ARG 53 5.309 -27.821 33.333 1.00 74.24 ATOM 807 HA ARG 53 4.601 -28.021 34.126 1.00 32.35 ATOM 808 CB ARG 53 6.366 -26.838 33.839 1.00 32.30 ATOM 809 HB1 ARG 53 5.922 -25.855 33.942 1.00 37.30 ATOM 810 HB2 ARG 53 7.161 -26.787 33.107 1.00 61.44 ATOM 811 CG ARG 53 6.962 -27.224 35.183 1.00 41.01 ATOM 812 HG1 ARG 53 7.221 -28.275 35.171 1.00 37.30 ATOM 813 HG2 ARG 53 6.231 -27.042 35.956 1.00 12.35 ATOM 814 CD ARG 53 8.213 -26.416 35.490 1.00 43.03 ATOM 815 HD1 ARG 53 7.924 -25.382 35.620 1.00 37.30 ATOM 816 HD2 ARG 53 8.901 -26.495 34.663 1.00 73.14 ATOM 817 NE ARG 53 8.882 -26.881 36.702 1.00 73.31 ATOM 818 HE ARG 53 8.569 -27.723 37.108 1.00 72.13 ATOM 819 CZ ARG 53 9.887 -26.235 37.281 1.00 2.30 ATOM 820 NH1 ARG 53 10.338 -25.101 36.761 1.00 33.14 ATOM 821 HH11 ARG 53 9.939 -24.712 35.933 1.00 24.31 ATOM 822 HH12 ARG 53 11.096 -24.620 37.206 1.00 2.52 ATOM 823 NH2 ARG 53 10.444 -26.722 38.383 1.00 40.34 ATOM 824 HH21 ARG 53 10.108 -27.578 38.781 1.00 10.14 ATOM 825 HH22 ARG 53 11.203 -26.236 38.821 1.00 54.44 ATOM 826 C ARG 53 4.557 -27.213 32.152 1.00 13.25 ATOM 827 O ARG 53 3.427 -26.743 32.298 1.00 44.14 ATOM 828 N LEU 54 5.190 -27.224 30.985 1.00 62.31 ATOM 829 HN LEU 54 6.100 -27.604 30.930 1.00 37.30 ATOM 830 CA LEU 54 4.582 -26.673 29.779 1.00 72.21 ATOM 831 HA LEU 54 4.407 -25.619 29.943 1.00 34.14 ATOM 832 CB LEU 54 5.526 -26.837 28.587 1.00 44.21 ATOM 833 HB1 LEU 54 5.953 -27.825 28.633 1.00 37.30 ATOM 834 HB2 LEU 54 6.328 -26.119 28.696 1.00 41.34 ATOM 835 CG LEU 54 4.900 -26.655 27.204 1.00 12.10 ATOM 836 HG LEU 54 4.081 -27.342 27.088 1.00 41.31 ATOM 837 CD1 LEU 54 4.357 -25.243 27.045 1.00 21.14 ATOM 838 HD11 LEU 54 3.669 -25.012 27.846 1.00 14.40 ATOM 839 HD12 LEU 54 3.843 -25.161 26.103 1.00 15.31 ATOM 840 HD13 LEU 54 5.182 -24.557 27.068 1.00 62.11 ATOM 841 CD2 LEU 54 5.915 -26.964 26.114 1.00 44.54 ATOM 842 HD21 LEU 54 5.472 -26.822 25.152 1.00 35.33 ATOM 843 HD22 LEU 54 6.239 -27.991 26.205 1.00 11.15 ATOM 844 HD23 LEU 54 6.762 -26.318 26.216 1.00 11.11 ATOM 845 C LEU 54 3.248 -27.352 29.483 1.00 65.34 ATOM 846 O LEU 54 2.271 -26.695 29.121 1.00 4.13 ATOM 847 N LEU 55 3.214 -28.671 29.640 1.00 44.04 ATOM 848 HN LEU 55 4.030 -29.148 29.924 1.00 37.30 ATOM 849 CA LEU 55 2.000 -29.440 29.391 1.00 11.12 ATOM 850 HA LEU 55 1.648 -29.200 28.397 1.00 40.44 ATOM 851 CB LEU 55 2.298 -30.939 29.461 1.00 2.44 ATOM 852 HB1 LEU 55 2.681 -31.160 30.448 1.00 37.30 ATOM 853 HB2 LEU 55 3.069 -31.148 28.745 1.00 44.23 ATOM 854 CG LEU 55 1.120 -31.871 29.179 1.00 31.54 ATOM 855 HG LEU 55 0.316 -31.652 29.866 1.00 35.04 ATOM 856 CD1 LEU 55 0.598 -31.660 27.767 1.00 51.12 ATOM 857 HD11 LEU 55 0.176 -30.670 27.681 1.00 72.21 ATOM 858 HD12 LEU 55 -0.159 -32.397 27.538 1.00 54.35 ATOM 859 HD13 LEU 55 1.410 -31.760 27.090 1.00 24.23 ATOM 860 CD2 LEU 55 1.527 -33.323 29.388 1.00 41.23 ATOM 861 HD21 LEU 55 2.349 -33.384 30.080 1.00 14.55 ATOM 862 HD22 LEU 55 1.828 -33.772 28.449 1.00 74.41 ATOM 863 HD23 LEU 55 0.687 -33.869 29.790 1.00 65.40 ATOM 864 C LEU 55 0.911 -29.079 30.397 1.00 45.20 ATOM 865 O LEU 55 -0.278 -29.153 30.091 1.00 31.13 ATOM 866 N GLU 56 1.328 -28.686 31.597 1.00 42.03 ATOM 867 HN GLU 56 2.289 -28.662 31.794 1.00 37.30 ATOM 868 CA GLU 56 0.388 -28.312 32.647 1.00 51.15 ATOM 869 HA GLU 56 -0.421 -29.036 32.653 1.00 23.55 ATOM 870 CB GLU 56 1.082 -28.319 34.010 1.00 2.10 ATOM 871 HB1 GLU 56 0.704 -27.510 34.624 1.00 37.30 ATOM 872 HB2 GLU 56 2.142 -28.159 33.866 1.00 13.31 ATOM 873 CG GLU 56 0.916 -29.623 34.771 1.00 31.50 ATOM 874 HG1 GLU 56 1.718 -29.703 35.490 1.00 37.30 ATOM 875 HG2 GLU 56 0.974 -30.455 34.081 1.00 32.20 ATOM 876 CD GLU 56 -0.403 -29.701 35.515 1.00 73.03 ATOM 877 OE1 GLU 56 -0.904 -30.827 35.718 1.00 62.23 ATOM 878 OE2 GLU 56 -0.935 -28.637 35.893 1.00 12.41 ATOM 879 C GLU 56 -0.211 -26.935 32.375 1.00 3.44 ATOM 880 O GLU 56 -1.316 -26.628 32.822 1.00 52.22 ATOM 881 N ARG 57 0.528 -26.109 31.641 1.00 1.04 ATOM 882 HN ARG 57 1.412 -26.397 31.320 1.00 37.30 ATOM 883 CA ARG 57 0.072 -24.764 31.312 1.00 61.00 ATOM 884 HA ARG 57 -0.243 -24.283 32.224 1.00 51.43 ATOM 885 CB ARG 57 1.204 -23.963 30.665 1.00 14.02 ATOM 886 HB1 ARG 57 0.797 -23.090 30.175 1.00 37.30 ATOM 887 HB2 ARG 57 1.681 -24.576 29.921 1.00 74.01 ATOM 888 CG ARG 57 2.269 -23.510 31.650 1.00 64.32 ATOM 889 HG1 ARG 57 3.030 -22.980 31.101 1.00 37.30 ATOM 890 HG2 ARG 57 2.699 -24.374 32.132 1.00 63.41 ATOM 891 CD ARG 57 1.692 -22.584 32.709 1.00 43.25 ATOM 892 HD1 ARG 57 2.506 -22.202 33.309 1.00 37.30 ATOM 893 HD2 ARG 57 1.023 -23.148 33.340 1.00 11.05 ATOM 894 NE ARG 57 0.976 -21.457 32.118 1.00 53.33 ATOM 895 HE ARG 57 1.061 -21.306 31.149 1.00 62.14 ATOM 896 CZ ARG 57 0.235 -20.607 32.820 1.00 32.14 ATOM 897 NH1 ARG 57 0.114 -20.756 34.132 1.00 0.14 ATOM 898 HH11 ARG 57 0.571 -21.498 34.617 1.00 1.14 ATOM 899 HH12 ARG 57 -0.449 -20.111 34.653 1.00 24.14 ATOM 900 NH2 ARG 57 -0.387 -19.606 32.211 1.00 41.22 ATOM 901 HH21 ARG 57 -0.300 -19.488 31.220 1.00 30.30 ATOM 902 HH22 ARG 57 -0.947 -18.964 32.739 1.00 33.24 ATOM 903 C ARG 57 -1.131 -24.812 30.375 1.00 34.21 ATOM 904 O ARG 57 -2.177 -24.227 30.660 1.00 34.40 ATOM 905 N LEU 58 -0.976 -25.512 29.257 1.00 51.13 ATOM 906 HN LEU 58 -0.134 -26.005 29.116 1.00 37.30 ATOM 907 CA LEU 58 -2.050 -25.636 28.277 1.00 63.52 ATOM 908 HA LEU 58 -2.578 -24.691 28.221 1.00 61.25 ATOM 909 CB LEU 58 -1.472 -25.952 26.896 1.00 53.52 ATOM 910 HB1 LEU 58 -2.222 -25.714 26.154 1.00 37.30 ATOM 911 HB2 LEU 58 -1.278 -27.020 26.849 1.00 21.41 ATOM 912 CG LEU 58 -0.178 -25.225 26.528 1.00 61.42 ATOM 913 HG LEU 58 0.548 -25.346 27.314 1.00 62.25 ATOM 914 CD1 LEU 58 0.427 -25.819 25.265 1.00 54.01 ATOM 915 HD11 LEU 58 1.500 -25.701 25.300 1.00 53.51 ATOM 916 HD12 LEU 58 0.047 -25.307 24.395 1.00 14.24 ATOM 917 HD13 LEU 58 0.190 -26.869 25.197 1.00 3.12 ATOM 918 CD2 LEU 58 -0.434 -23.736 26.350 1.00 51.03 ATOM 919 HD21 LEU 58 0.494 -23.234 26.114 1.00 11.31 ATOM 920 HD22 LEU 58 -0.836 -23.326 27.266 1.00 23.44 ATOM 921 HD23 LEU 58 -1.141 -23.580 25.546 1.00 1.44 ATOM 922 C LEU 58 -3.038 -26.723 28.687 1.00 32.23 ATOM 923 O LEU 58 -4.253 -26.540 28.594 1.00 63.32 ATOM 924 N LEU 59 -2.511 -27.854 29.144 1.00 44.40 ATOM 925 HN LEU 59 -1.533 -27.955 29.196 1.00 37.30 ATOM 926 CA LEU 59 -3.346 -28.970 29.572 1.00 74.13 ATOM 927 HA LEU 59 -4.379 -28.738 29.383 1.00 74.41 ATOM 928 CB LEU 59 -2.982 -30.234 28.791 1.00 53.14 ATOM 929 HB1 LEU 59 -3.382 -31.088 29.319 1.00 37.30 ATOM 930 HB2 LEU 59 -1.907 -30.323 28.772 1.00 30.14 ATOM 931 CG LEU 59 -3.493 -30.304 27.351 1.00 42.41 ATOM 932 HG LEU 59 -3.077 -29.480 26.789 1.00 71.10 ATOM 933 CD1 LEU 59 -3.045 -31.597 26.688 1.00 42.33 ATOM 934 HD11 LEU 59 -3.426 -32.444 27.242 1.00 24.20 ATOM 935 HD12 LEU 59 -1.967 -31.636 26.667 1.00 22.54 ATOM 936 HD13 LEU 59 -3.420 -31.635 25.674 1.00 43.14 ATOM 937 CD2 LEU 59 -5.009 -30.182 27.316 1.00 12.32 ATOM 938 HD21 LEU 59 -5.453 -30.921 27.970 1.00 11.35 ATOM 939 HD22 LEU 59 -5.364 -30.342 26.306 1.00 10.34 ATOM 940 HD23 LEU 59 -5.303 -29.196 27.635 1.00 21.03 ATOM 941 C LEU 59 -3.194 -29.222 31.068 1.00 34.14 ATOM 942 O LEU 59 -2.570 -30.192 31.499 1.00 2.43 ATOM 943 N PRO 60 -3.780 -28.330 31.881 1.00 32.43 ATOM 944 CA PRO 60 -3.726 -28.436 33.342 1.00 31.34 ATOM 945 HA PRO 60 -2.705 -28.517 33.692 1.00 15.54 ATOM 946 CB PRO 60 -4.319 -27.107 33.817 1.00 71.15 ATOM 947 HB1 PRO 60 -3.520 -26.400 33.983 1.00 37.30 ATOM 948 HB2 PRO 60 -4.879 -27.239 34.735 1.00 21.31 ATOM 949 CG PRO 60 -5.199 -26.665 32.699 1.00 43.54 ATOM 950 HG1 PRO 60 -5.272 -25.588 32.692 1.00 37.30 ATOM 951 HG2 PRO 60 -6.179 -27.107 32.806 1.00 41.30 ATOM 952 CD PRO 60 -4.541 -27.151 31.437 1.00 41.42 ATOM 953 HD1 PRO 60 -3.885 -26.387 31.062 1.00 37.30 ATOM 954 HD2 PRO 60 -5.289 -27.412 30.705 1.00 63.34 ATOM 955 C PRO 60 -4.551 -29.606 33.870 1.00 44.32 ATOM 956 O PRO 60 -5.769 -29.645 33.701 1.00 4.14 ATOM 957 N GLY 61 -3.878 -30.558 34.510 1.00 42.54 ATOM 958 HN GLY 61 -2.909 -30.468 34.645 1.00 37.30 ATOM 959 CA GLY 61 -4.565 -31.715 35.052 1.00 0.22 ATOM 960 HA1 GLY 61 -5.639 -31.582 35.007 1.00 37.30 ATOM 961 HA2 GLY 61 -4.280 -31.823 36.088 1.00 63.14 ATOM 962 C GLY 61 -4.206 -32.996 34.326 1.00 42.35 ATOM 963 O GLY 61 -4.937 -33.984 34.395 1.00 61.43 ATOM 964 N THR 62 -3.077 -32.980 33.624 1.00 5.21 ATOM 965 HN THR 62 -2.525 -32.173 33.590 1.00 37.30 ATOM 966 CA THR 62 -2.623 -34.147 32.879 1.00 30.41 ATOM 967 HA THR 62 -3.427 -34.877 32.845 1.00 72.24 ATOM 968 CB THR 62 -2.247 -33.779 31.432 1.00 42.15 ATOM 969 HB THR 62 -1.214 -33.451 31.398 1.00 70.00 ATOM 970 OG1 THR 62 -3.074 -32.705 30.969 1.00 63.54 ATOM 971 HG1 THR 62 -4.008 -32.952 30.992 1.00 73.21 ATOM 972 CG2 THR 62 -2.402 -34.979 30.510 1.00 63.12 ATOM 973 HG21 THR 62 -2.133 -34.695 29.504 1.00 2.43 ATOM 974 HG22 THR 62 -3.428 -35.317 30.524 1.00 44.44 ATOM 975 HG23 THR 62 -1.754 -35.778 30.842 1.00 52.44 ATOM 976 C THR 62 -1.421 -34.798 33.555 1.00 52.15 ATOM 977 O THR 62 -1.238 -36.013 33.480 1.00 72.41 ATOM 978 N ILE 63 -0.606 -33.982 34.214 1.00 64.13 ATOM 979 HN ILE 63 -0.785 -33.017 34.239 1.00 37.30 ATOM 980 CA ILE 63 0.578 -34.480 34.904 1.00 51.30 ATOM 981 HA ILE 63 0.939 -35.361 34.377 1.00 41.23 ATOM 982 CB ILE 63 1.710 -33.436 34.904 1.00 1.43 ATOM 983 HB ILE 63 1.385 -32.576 35.474 1.00 34.42 ATOM 984 CG1 ILE 63 2.023 -32.990 33.474 1.00 31.23 ATOM 985 HG11 ILE 63 2.764 -32.203 33.506 1.00 37.30 ATOM 986 HG12 ILE 63 1.128 -32.606 33.005 1.00 51.42 ATOM 987 CG2 ILE 63 2.954 -34.003 35.572 1.00 34.12 ATOM 988 HG21 ILE 63 2.804 -34.034 36.641 1.00 33.32 ATOM 989 HG22 ILE 63 3.808 -33.372 35.359 1.00 2.23 ATOM 990 HG23 ILE 63 3.153 -35.003 35.214 1.00 22.13 ATOM 991 CD1 ILE 63 2.568 -34.099 32.602 1.00 41.13 ATOM 992 HD11 ILE 63 3.386 -33.712 32.011 1.00 41.14 ATOM 993 HD12 ILE 63 1.787 -34.437 31.938 1.00 4.52 ATOM 994 HD13 ILE 63 2.917 -34.937 33.182 1.00 44.40 ATOM 995 C ILE 63 0.254 -34.862 36.344 1.00 20.41 ATOM 996 O ILE 63 0.029 -33.998 37.190 1.00 13.22 ATOM 997 N GLU 64 0.235 -36.164 36.615 1.00 54.21 ATOM 998 HN GLU 64 0.439 -36.813 35.900 1.00 37.30 ATOM 999 CA GLU 64 -0.061 -36.660 37.954 1.00 64.43 ATOM 1000 HA GLU 64 -0.771 -35.990 38.425 1.00 44.31 ATOM 1001 CB GLU 64 -0.688 -38.054 37.878 1.00 54.21 ATOM 1002 HB1 GLU 64 -0.056 -38.686 37.271 1.00 37.30 ATOM 1003 HB2 GLU 64 -1.655 -37.965 37.401 1.00 32.35 ATOM 1004 CG GLU 64 -0.863 -38.717 39.234 1.00 62.33 ATOM 1005 HG1 GLU 64 -1.115 -37.965 39.972 1.00 37.30 ATOM 1006 HG2 GLU 64 0.068 -39.189 39.511 1.00 5.35 ATOM 1007 CD GLU 64 -1.957 -39.767 39.233 1.00 71.10 ATOM 1008 OE1 GLU 64 -1.659 -40.936 39.554 1.00 23.22 ATOM 1009 OE2 GLU 64 -3.112 -39.418 38.911 1.00 34.51 ATOM 1010 C GLU 64 1.203 -36.706 38.808 1.00 11.41 ATOM 1011 O GLU 64 1.169 -36.411 40.003 1.00 23.21 ATOM 1012 N LYS 65 2.317 -37.077 38.187 1.00 61.22 ATOM 1013 HN LYS 65 2.286 -37.334 37.236 1.00 37.30 ATOM 1014 CA LYS 65 3.593 -37.161 38.888 1.00 71.23 ATOM 1015 HA LYS 65 3.563 -36.490 39.736 1.00 64.23 ATOM 1016 CB LYS 65 3.829 -38.587 39.391 1.00 71.11 ATOM 1017 HB1 LYS 65 3.687 -39.271 38.567 1.00 37.30 ATOM 1018 HB2 LYS 65 3.103 -38.813 40.159 1.00 13.52 ATOM 1019 CG LYS 65 5.221 -38.810 39.957 1.00 53.22 ATOM 1020 HG1 LYS 65 5.963 -38.562 39.216 1.00 37.30 ATOM 1021 HG2 LYS 65 5.321 -39.859 40.196 1.00 55.32 ATOM 1022 CD LYS 65 5.458 -37.969 41.200 1.00 22.32 ATOM 1023 HD1 LYS 65 4.781 -37.130 41.243 1.00 37.30 ATOM 1024 HD2 LYS 65 6.471 -37.596 41.165 1.00 70.42 ATOM 1025 CE LYS 65 5.302 -38.794 42.469 1.00 63.04 ATOM 1026 HE1 LYS 65 6.011 -38.428 43.197 1.00 37.30 ATOM 1027 HE2 LYS 65 5.511 -39.837 42.272 1.00 15.30 ATOM 1028 NZ LYS 65 3.934 -38.674 43.044 1.00 52.15 ATOM 1029 HZ1 LYS 65 3.726 -37.681 43.280 1.00 72.55 ATOM 1030 HZ2 LYS 65 3.863 -39.243 43.911 1.00 52.11 ATOM 1031 HZ3 LYS 65 3.224 -39.015 42.363 1.00 63.32 ATOM 1032 C LYS 65 4.742 -36.735 37.979 1.00 13.23 ATOM 1033 O LYS 65 4.713 -36.973 36.772 1.00 62.31 ATOM 1034 N VAL 66 5.753 -36.104 38.568 1.00 12.21 ATOM 1035 HN VAL 66 5.706 -35.902 39.530 1.00 37.30 ATOM 1036 CA VAL 66 6.913 -35.647 37.812 1.00 13.42 ATOM 1037 HA VAL 66 7.045 -36.301 36.954 1.00 51.32 ATOM 1038 CB VAL 66 6.719 -34.205 37.305 1.00 64.23 ATOM 1039 HB VAL 66 5.719 -34.114 36.906 1.00 21.22 ATOM 1040 CG1 VAL 66 6.867 -33.212 38.447 1.00 24.34 ATOM 1041 HG11 VAL 66 7.907 -32.978 38.605 1.00 55.24 ATOM 1042 HG12 VAL 66 6.447 -33.620 39.358 1.00 11.22 ATOM 1043 HG13 VAL 66 6.338 -32.305 38.193 1.00 54.25 ATOM 1044 CG2 VAL 66 7.706 -33.897 36.188 1.00 31.05 ATOM 1045 HG21 VAL 66 7.746 -34.721 35.490 1.00 22.02 ATOM 1046 HG22 VAL 66 8.692 -33.725 36.596 1.00 43.12 ATOM 1047 HG23 VAL 66 7.384 -33.008 35.672 1.00 64.23 ATOM 1048 C VAL 66 8.180 -35.710 38.658 1.00 73.43 ATOM 1049 O VAL 66 8.117 -35.752 39.887 1.00 50.03 ATOM 1050 N TYR 67 9.329 -35.717 37.992 1.00 71.23 ATOM 1051 HN TYR 67 9.328 -35.726 37.010 1.00 37.30 ATOM 1052 CA TYR 67 10.612 -35.778 38.682 1.00 51.23 ATOM 1053 HA TYR 67 10.450 -35.975 39.726 1.00 72.34 ATOM 1054 CB TYR 67 11.465 -36.915 38.117 1.00 2.21 ATOM 1055 HB1 TYR 67 12.448 -36.886 38.572 1.00 37.30 ATOM 1056 HB2 TYR 67 11.568 -36.776 37.050 1.00 51.40 ATOM 1057 CG TYR 67 10.887 -38.289 38.370 1.00 50.12 ATOM 1058 CD1 TYR 67 10.979 -39.290 37.411 1.00 21.21 ATOM 1059 HD1 TYR 67 11.470 -39.079 36.483 1.00 23.20 ATOM 1060 CD2 TYR 67 10.249 -38.586 39.568 1.00 3.01 ATOM 1061 HD2 TYR 67 10.167 -37.835 40.336 1.00 40.22 ATOM 1062 CE1 TYR 67 10.451 -40.547 37.638 1.00 45.45 ATOM 1063 HE1 TYR 67 10.534 -41.313 36.884 1.00 54.35 ATOM 1064 CE2 TYR 67 9.720 -39.840 39.804 1.00 61.12 ATOM 1065 HE2 TYR 67 9.228 -40.051 40.742 1.00 33.25 ATOM 1066 CZ TYR 67 9.823 -40.817 38.835 1.00 2.23 ATOM 1067 OH TYR 67 9.298 -42.068 39.065 1.00 14.43 ATOM 1068 HH TYR 67 10.009 -42.697 39.224 1.00 34.40 ATOM 1069 C TYR 67 11.361 -34.455 38.557 1.00 52.52 ATOM 1070 O TYR 67 12.225 -34.279 37.698 1.00 61.44 ATOM 1071 N PRO 68 11.022 -33.499 39.435 1.00 24.24 ATOM 1072 CA PRO 68 11.651 -32.175 39.446 1.00 53.21 ATOM 1073 HA PRO 68 11.603 -31.712 38.481 1.00 42.44 ATOM 1074 CB PRO 68 10.797 -31.385 40.442 1.00 64.33 ATOM 1075 HB1 PRO 68 10.024 -30.855 39.906 1.00 37.30 ATOM 1076 HB2 PRO 68 11.403 -30.676 40.994 1.00 42.15 ATOM 1077 CG PRO 68 10.210 -32.419 41.340 1.00 4.52 ATOM 1078 HG1 PRO 68 9.266 -32.071 41.733 1.00 37.30 ATOM 1079 HG2 PRO 68 10.896 -32.638 42.146 1.00 23.12 ATOM 1080 CD PRO 68 10.001 -33.639 40.487 1.00 52.33 ATOM 1081 HD1 PRO 68 9.018 -33.621 40.080 1.00 37.30 ATOM 1082 HD2 PRO 68 10.156 -34.528 41.077 1.00 34.11 ATOM 1083 C PRO 68 13.102 -32.225 39.911 1.00 61.42 ATOM 1084 O PRO 68 13.880 -31.309 39.646 1.00 71.51 ATOM 1085 N GLU 69 13.459 -33.302 40.605 1.00 44.44 ATOM 1086 HN GLU 69 12.797 -33.992 40.829 1.00 37.30 ATOM 1087 CA GLU 69 14.818 -33.470 41.106 1.00 2.11 ATOM 1088 HA GLU 69 15.480 -32.787 40.589 1.00 23.31 ATOM 1089 CB GLU 69 14.880 -33.138 42.598 1.00 14.44 ATOM 1090 HB1 GLU 69 14.786 -32.068 42.714 1.00 37.30 ATOM 1091 HB2 GLU 69 15.842 -33.446 42.994 1.00 20.24 ATOM 1092 CG GLU 69 13.780 -33.796 43.414 1.00 31.04 ATOM 1093 HG1 GLU 69 13.735 -34.848 43.179 1.00 37.30 ATOM 1094 HG2 GLU 69 12.839 -33.335 43.157 1.00 23.52 ATOM 1095 CD GLU 69 13.993 -33.647 44.908 1.00 11.23 ATOM 1096 OE1 GLU 69 13.455 -34.478 45.670 1.00 71.15 ATOM 1097 OE2 GLU 69 14.697 -32.700 45.316 1.00 12.51 ATOM 1098 C GLU 69 15.313 -34.894 40.870 1.00 33.23 ATOM 1099 O GLU 69 15.434 -35.697 41.795 1.00 33.45 ATOM 1100 N PRO 70 15.605 -35.216 39.601 1.00 3.05 ATOM 1101 CA PRO 70 16.091 -36.543 39.213 1.00 22.43 ATOM 1102 HA PRO 70 15.426 -37.321 39.564 1.00 32.03 ATOM 1103 CB PRO 70 16.061 -36.499 37.684 1.00 42.24 ATOM 1104 HB1 PRO 70 15.122 -36.901 37.335 1.00 37.30 ATOM 1105 HB2 PRO 70 16.871 -37.081 37.279 1.00 14.21 ATOM 1106 CG PRO 70 16.183 -35.053 37.344 1.00 24.43 ATOM 1107 HG1 PRO 70 15.702 -34.856 36.397 1.00 37.30 ATOM 1108 HG2 PRO 70 17.225 -34.772 37.302 1.00 53.41 ATOM 1109 CD PRO 70 15.485 -34.308 38.448 1.00 32.50 ATOM 1110 HD1 PRO 70 14.458 -34.136 38.196 1.00 37.30 ATOM 1111 HD2 PRO 70 15.990 -33.373 38.634 1.00 63.44 ATOM 1112 C PRO 70 17.508 -36.811 39.711 1.00 54.41 ATOM 1113 O PRO 70 18.352 -35.915 39.717 1.00 25.25 ATOM 1114 N ARG 71 17.760 -38.047 40.126 1.00 25.43 ATOM 1115 HN ARG 71 17.037 -38.714 40.131 1.00 37.30 ATOM 1116 CA ARG 71 19.075 -38.432 40.626 1.00 10.32 ATOM 1117 HA ARG 71 19.724 -37.563 40.619 1.00 11.33 ATOM 1118 CB ARG 71 18.966 -38.957 42.059 1.00 52.11 ATOM 1119 HB1 ARG 71 18.731 -40.014 42.042 1.00 37.30 ATOM 1120 HB2 ARG 71 18.158 -38.440 42.563 1.00 13.05 ATOM 1121 CG ARG 71 20.235 -38.771 42.874 1.00 11.32 ATOM 1122 HG1 ARG 71 21.088 -39.088 42.289 1.00 37.30 ATOM 1123 HG2 ARG 71 20.166 -39.377 43.765 1.00 35.34 ATOM 1124 CD ARG 71 20.426 -37.319 43.284 1.00 13.13 ATOM 1125 HD1 ARG 71 19.479 -36.941 43.651 1.00 37.30 ATOM 1126 HD2 ARG 71 20.730 -36.750 42.418 1.00 32.32 ATOM 1127 NE ARG 71 21.437 -37.173 44.328 1.00 61.22 ATOM 1128 HE ARG 71 22.071 -37.916 44.463 1.00 12.22 ATOM 1129 CZ ARG 71 21.550 -36.095 45.096 1.00 65.50 ATOM 1130 NH1 ARG 71 20.719 -35.075 44.939 1.00 42.34 ATOM 1131 HH11 ARG 71 20.000 -35.086 44.249 1.00 54.04 ATOM 1132 HH12 ARG 71 20.812 -34.269 45.527 1.00 10.32 ATOM 1133 NH2 ARG 71 22.497 -36.038 46.024 1.00 12.44 ATOM 1134 HH21 ARG 71 23.128 -36.807 46.148 1.00 21.31 ATOM 1135 HH22 ARG 71 22.585 -35.226 46.605 1.00 64.22 ATOM 1136 C ARG 71 19.708 -39.493 39.731 1.00 3.20 ATOM 1137 O ARG 71 20.923 -39.693 39.752 1.00 53.51 ATOM 1138 N SER 72 18.877 -40.171 38.946 1.00 13.42 ATOM 1139 HN SER 72 17.916 -39.998 38.966 1.00 37.30 ATOM 1140 CA SER 72 19.354 -41.214 38.047 1.00 64.32 ATOM 1141 HA SER 72 20.434 -41.270 38.100 1.00 0.33 ATOM 1142 CB SER 72 18.781 -42.572 38.457 1.00 25.23 ATOM 1143 HB1 SER 72 19.409 -43.351 38.050 1.00 37.30 ATOM 1144 HB2 SER 72 17.794 -42.692 38.074 1.00 52.21 ATOM 1145 OG SER 72 18.768 -42.715 39.867 1.00 13.21 ATOM 1146 HG SER 72 18.008 -42.258 40.232 1.00 70.03 ATOM 1147 C SER 72 18.972 -40.904 36.603 1.00 43.22 ATOM 1148 O SER 72 18.467 -39.823 36.303 1.00 53.14 ATOM 1149 N GLU 73 19.218 -41.861 35.713 1.00 4.43 ATOM 1150 HN GLU 73 19.637 -42.705 36.002 1.00 37.30 ATOM 1151 CA GLU 73 18.901 -41.689 34.300 1.00 21.14 ATOM 1152 HA GLU 73 19.129 -40.668 34.017 1.00 60.02 ATOM 1153 CB GLU 73 19.752 -42.631 33.446 1.00 51.12 ATOM 1154 HB1 GLU 73 19.666 -43.632 33.844 1.00 37.30 ATOM 1155 HB2 GLU 73 20.784 -42.316 33.507 1.00 31.12 ATOM 1156 CG GLU 73 19.344 -42.660 31.982 1.00 5.23 ATOM 1157 HG1 GLU 73 19.422 -41.668 31.575 1.00 37.30 ATOM 1158 HG2 GLU 73 18.327 -43.001 31.908 1.00 15.12 ATOM 1159 CD GLU 73 20.202 -43.599 31.156 1.00 3.44 ATOM 1160 OE1 GLU 73 21.095 -44.251 31.735 1.00 24.35 ATOM 1161 OE2 GLU 73 19.980 -43.680 29.930 1.00 35.51 ATOM 1162 C GLU 73 17.420 -41.947 34.040 1.00 32.23 ATOM 1163 O GLU 73 16.753 -41.169 33.358 1.00 5.32 ATOM 1164 N SER 74 16.911 -43.046 34.589 1.00 64.24 ATOM 1165 HN SER 74 17.497 -43.638 35.119 1.00 37.30 ATOM 1166 CA SER 74 15.510 -43.410 34.413 1.00 64.32 ATOM 1167 HA SER 74 15.361 -43.668 33.375 1.00 45.34 ATOM 1168 CB SER 74 15.164 -44.622 35.280 1.00 14.34 ATOM 1169 HB1 SER 74 14.105 -44.627 35.510 1.00 37.30 ATOM 1170 HB2 SER 74 15.726 -44.583 36.202 1.00 73.45 ATOM 1171 OG SER 74 15.474 -45.833 34.613 1.00 5.42 ATOM 1172 HG SER 74 16.415 -46.012 34.689 1.00 12.22 ATOM 1173 C SER 74 14.597 -42.240 34.765 1.00 73.22 ATOM 1174 O SER 74 13.677 -41.911 34.017 1.00 72.22 ATOM 1175 N GLU 75 14.859 -41.616 35.909 1.00 35.52 ATOM 1176 HN GLU 75 15.634 -41.899 36.437 1.00 37.30 ATOM 1177 CA GLU 75 14.059 -40.484 36.361 1.00 4.41 ATOM 1178 HA GLU 75 13.022 -40.789 36.374 1.00 72.24 ATOM 1179 CB GLU 75 14.471 -40.073 37.776 1.00 4.42 ATOM 1180 HB1 GLU 75 13.881 -39.216 38.075 1.00 37.30 ATOM 1181 HB2 GLU 75 15.515 -39.786 37.771 1.00 63.13 ATOM 1182 CG GLU 75 14.260 -41.163 38.813 1.00 62.43 ATOM 1183 HG1 GLU 75 13.382 -41.743 38.558 1.00 37.30 ATOM 1184 HG2 GLU 75 14.108 -40.695 39.774 1.00 64.45 ATOM 1185 CD GLU 75 15.447 -42.101 38.923 1.00 11.33 ATOM 1186 OE1 GLU 75 16.313 -41.861 39.791 1.00 40.55 ATOM 1187 OE2 GLU 75 15.510 -43.074 38.143 1.00 0.32 ATOM 1188 C GLU 75 14.210 -39.299 35.411 1.00 15.44 ATOM 1189 O GLU 75 13.229 -38.640 35.064 1.00 14.20 ATOM 1190 N CYS 76 15.443 -39.034 34.996 1.00 2.43 ATOM 1191 HN CYS 76 16.192 -39.589 35.319 1.00 37.30 ATOM 1192 CA CYS 76 15.723 -37.927 34.088 1.00 61.21 ATOM 1193 HA CYS 76 15.386 -37.014 34.563 1.00 3.31 ATOM 1194 CB CYS 76 17.224 -37.839 33.806 1.00 54.22 ATOM 1195 HB1 CYS 76 17.389 -37.576 32.770 1.00 37.30 ATOM 1196 HB2 CYS 76 17.690 -38.795 33.997 1.00 73.02 ATOM 1197 SG CYS 76 18.091 -36.606 34.805 1.00 61.51 ATOM 1198 HG CYS 76 18.781 -35.827 33.985 1.00 62.23 ATOM 1199 C CYS 76 14.956 -38.090 32.780 1.00 61.43 ATOM 1200 O CYS 76 14.433 -37.121 32.229 1.00 13.22 ATOM 1201 N LEU 77 14.895 -39.322 32.286 1.00 73.10 ATOM 1202 HN LEU 77 15.335 -40.063 32.766 1.00 37.30 ATOM 1203 CA LEU 77 14.193 -39.613 31.041 1.00 72.04 ATOM 1204 HA LEU 77 14.419 -38.829 30.328 1.00 71.11 ATOM 1205 CB LEU 77 14.668 -40.948 30.464 1.00 32.14 ATOM 1206 HB1 LEU 77 14.009 -41.231 29.649 1.00 37.30 ATOM 1207 HB2 LEU 77 14.564 -41.688 31.248 1.00 34.32 ATOM 1208 CG LEU 77 16.108 -40.984 29.952 1.00 2.24 ATOM 1209 HG LEU 77 16.749 -40.463 30.650 1.00 63.20 ATOM 1210 CD1 LEU 77 16.603 -42.418 29.851 1.00 62.22 ATOM 1211 HD11 LEU 77 17.645 -42.422 29.565 1.00 12.31 ATOM 1212 HD12 LEU 77 16.025 -42.952 29.109 1.00 31.21 ATOM 1213 HD13 LEU 77 16.493 -42.909 30.807 1.00 34.34 ATOM 1214 CD2 LEU 77 16.213 -40.285 28.605 1.00 54.23 ATOM 1215 HD21 LEU 77 16.034 -39.230 28.740 1.00 14.32 ATOM 1216 HD22 LEU 77 15.476 -40.691 27.923 1.00 11.54 ATOM 1217 HD23 LEU 77 17.195 -40.436 28.191 1.00 61.20 ATOM 1218 C LEU 77 12.684 -39.649 31.261 1.00 20.55 ATOM 1219 O LEU 77 11.908 -39.285 30.378 1.00 63.31 ATOM 1220 N SER 78 12.275 -40.089 32.447 1.00 22.43 ATOM 1221 HN SER 78 12.939 -40.388 33.110 1.00 37.30 ATOM 1222 CA SER 78 10.859 -40.175 32.784 1.00 0.22 ATOM 1223 HA SER 78 10.415 -40.937 32.159 1.00 43.43 ATOM 1224 CB SER 78 10.685 -40.569 34.252 1.00 22.11 ATOM 1225 HB1 SER 78 10.486 -39.689 34.837 1.00 37.30 ATOM 1226 HB2 SER 78 11.575 -41.046 34.623 1.00 2.32 ATOM 1227 OG SER 78 9.600 -41.467 34.414 1.00 5.51 ATOM 1228 HG SER 78 9.105 -41.244 35.207 1.00 60.32 ATOM 1229 C SER 78 10.156 -38.848 32.516 1.00 53.24 ATOM 1230 O SER 78 9.046 -38.817 31.985 1.00 22.21 ATOM 1231 N ASN 79 10.811 -37.752 32.886 1.00 31.54 ATOM 1232 HN ASN 79 11.692 -37.837 33.323 1.00 37.30 ATOM 1233 CA ASN 79 10.249 -36.421 32.687 1.00 62.53 ATOM 1234 HA ASN 79 9.378 -36.328 33.321 1.00 30.24 ATOM 1235 CB ASN 79 11.275 -35.351 33.064 1.00 13.50 ATOM 1236 HB1 ASN 79 10.962 -34.418 32.648 1.00 37.30 ATOM 1237 HB2 ASN 79 12.237 -35.623 32.663 1.00 65.54 ATOM 1238 CG ASN 79 11.394 -35.168 34.565 1.00 42.23 ATOM 1239 OD1 ASN 79 10.443 -35.407 35.308 1.00 34.42 ATOM 1240 ND2 ASN 79 12.568 -34.741 35.017 1.00 34.00 ATOM 1241 HD21 ASN 79 13.293 -34.565 34.376 1.00 34.35 ATOM 1242 HD22 ASN 79 12.667 -34.618 35.982 1.00 14.11 ATOM 1243 C ASN 79 9.806 -36.230 31.239 1.00 1.44 ATOM 1244 O ASN 79 8.685 -35.795 30.976 1.00 74.04 ATOM 1245 N ILE 80 10.694 -36.557 30.306 1.00 33.04 ATOM 1246 HN ILE 80 11.569 -36.919 30.580 1.00 37.30 ATOM 1247 CA ILE 80 10.393 -36.422 28.886 1.00 24.54 ATOM 1248 HA ILE 80 10.086 -35.398 28.700 1.00 42.53 ATOM 1249 CB ILE 80 11.630 -36.721 28.019 1.00 45.53 ATOM 1250 HB ILE 80 11.931 -37.741 28.210 1.00 34.53 ATOM 1251 CG1 ILE 80 12.778 -35.777 28.387 1.00 72.53 ATOM 1252 HG11 ILE 80 12.835 -35.655 29.459 1.00 37.30 ATOM 1253 HG12 ILE 80 12.612 -34.807 27.939 1.00 21.31 ATOM 1254 CG2 ILE 80 11.285 -36.593 26.543 1.00 43.24 ATOM 1255 HG21 ILE 80 10.709 -35.692 26.374 1.00 55.21 ATOM 1256 HG22 ILE 80 10.713 -37.446 26.231 1.00 74.31 ATOM 1257 HG23 ILE 80 12.189 -36.544 25.957 1.00 0.53 ATOM 1258 CD1 ILE 80 14.133 -36.267 27.928 1.00 64.23 ATOM 1259 HD11 ILE 80 14.895 -35.579 28.262 1.00 74.11 ATOM 1260 HD12 ILE 80 14.152 -36.326 26.851 1.00 1.55 ATOM 1261 HD13 ILE 80 14.324 -37.245 28.346 1.00 65.45 ATOM 1262 C ILE 80 9.260 -37.355 28.473 1.00 30.24 ATOM 1263 O ILE 80 8.296 -36.932 27.835 1.00 61.52 ATOM 1264 N ARG 81 9.382 -38.626 28.844 1.00 51.33 ATOM 1265 HN ARG 81 10.182 -38.907 29.351 1.00 37.30 ATOM 1266 CA ARG 81 8.367 -39.619 28.512 1.00 2.24 ATOM 1267 HA ARG 81 8.349 -39.734 27.438 1.00 34.25 ATOM 1268 CB ARG 81 8.707 -40.962 29.161 1.00 32.00 ATOM 1269 HB1 ARG 81 7.795 -41.521 29.332 1.00 37.30 ATOM 1270 HB2 ARG 81 9.184 -40.780 30.116 1.00 13.12 ATOM 1271 CG ARG 81 9.631 -41.828 28.321 1.00 42.23 ATOM 1272 HG1 ARG 81 10.545 -41.282 28.134 1.00 37.30 ATOM 1273 HG2 ARG 81 9.146 -42.050 27.381 1.00 61.43 ATOM 1274 CD ARG 81 9.973 -43.129 29.030 1.00 43.22 ATOM 1275 HD1 ARG 81 9.993 -42.968 30.102 1.00 37.30 ATOM 1276 HD2 ARG 81 10.953 -43.446 28.703 1.00 52.24 ATOM 1277 NE ARG 81 9.016 -44.188 28.722 1.00 63.24 ATOM 1278 HE ARG 81 8.299 -43.989 28.075 1.00 21.22 ATOM 1279 CZ ARG 81 9.061 -45.400 29.264 1.00 2.23 ATOM 1280 NH1 ARG 81 10.011 -45.704 30.138 1.00 11.52 ATOM 1281 HH11 ARG 81 10.705 -45.037 30.404 1.00 32.12 ATOM 1282 HH12 ARG 81 10.037 -46.621 30.543 1.00 32.34 ATOM 1283 NH2 ARG 81 8.155 -46.310 28.933 1.00 35.34 ATOM 1284 HH21 ARG 81 7.434 -46.087 28.274 1.00 0.11 ATOM 1285 HH22 ARG 81 8.187 -47.225 29.340 1.00 3.31 ATOM 1286 C ARG 81 6.986 -39.157 28.967 1.00 73.11 ATOM 1287 O ARG 81 6.017 -39.234 28.213 1.00 55.54 ATOM 1288 N GLU 82 6.905 -38.679 30.205 1.00 53.13 ATOM 1289 HN GLU 82 7.716 -38.654 30.764 1.00 37.30 ATOM 1290 CA GLU 82 5.641 -38.207 30.759 1.00 5.52 ATOM 1291 HA GLU 82 4.974 -39.057 30.821 1.00 13.24 ATOM 1292 CB GLU 82 5.860 -37.619 32.155 1.00 52.41 ATOM 1293 HB1 GLU 82 5.589 -36.574 32.155 1.00 37.30 ATOM 1294 HB2 GLU 82 6.902 -37.696 32.429 1.00 34.31 ATOM 1295 CG GLU 82 5.039 -38.299 33.237 1.00 33.22 ATOM 1296 HG1 GLU 82 3.997 -38.283 32.950 1.00 37.30 ATOM 1297 HG2 GLU 82 5.164 -37.752 34.160 1.00 44.50 ATOM 1298 CD GLU 82 5.459 -39.737 33.470 1.00 35.53 ATOM 1299 OE1 GLU 82 6.520 -39.953 34.091 1.00 64.12 ATOM 1300 OE2 GLU 82 4.724 -40.648 33.032 1.00 1.40 ATOM 1301 C GLU 82 5.005 -37.161 29.849 1.00 52.54 ATOM 1302 O GLU 82 3.842 -37.282 29.464 1.00 55.51 ATOM 1303 N PHE 83 5.776 -36.133 29.508 1.00 32.11 ATOM 1304 HN PHE 83 6.702 -36.091 29.850 1.00 37.30 ATOM 1305 CA PHE 83 5.288 -35.064 28.644 1.00 31.42 ATOM 1306 HA PHE 83 4.486 -34.556 29.161 1.00 14.51 ATOM 1307 CB PHE 83 6.406 -34.060 28.359 1.00 42.13 ATOM 1308 HB1 PHE 83 7.280 -34.599 28.015 1.00 37.30 ATOM 1309 HB2 PHE 83 6.656 -33.546 29.279 1.00 64.30 ATOM 1310 CG PHE 83 6.040 -33.033 27.326 1.00 41.05 ATOM 1311 CD1 PHE 83 6.367 -33.225 25.993 1.00 74.13 ATOM 1312 HD1 PHE 83 6.890 -34.123 25.695 1.00 42.40 ATOM 1313 CD2 PHE 83 5.369 -31.876 27.687 1.00 42.11 ATOM 1314 HD2 PHE 83 5.106 -31.719 28.720 1.00 15.31 ATOM 1315 CE1 PHE 83 6.032 -32.281 25.040 1.00 34.32 ATOM 1316 HE1 PHE 83 6.293 -32.442 24.004 1.00 61.04 ATOM 1317 CE2 PHE 83 5.031 -30.929 26.739 1.00 41.33 ATOM 1318 HE2 PHE 83 4.507 -30.032 27.034 1.00 14.43 ATOM 1319 CZ PHE 83 5.362 -31.132 25.413 1.00 30.35 ATOM 1320 HZ PHE 83 5.114 -30.401 24.670 1.00 35.42 ATOM 1321 C PHE 83 4.749 -35.628 27.333 1.00 75.40 ATOM 1322 O PHE 83 3.677 -35.236 26.869 1.00 32.43 ATOM 1323 N LEU 84 5.499 -36.550 26.740 1.00 73.43 ATOM 1324 HN LEU 84 6.342 -36.833 27.166 1.00 37.30 ATOM 1325 CA LEU 84 5.098 -37.169 25.481 1.00 35.31 ATOM 1326 HA LEU 84 4.873 -36.382 24.772 1.00 64.13 ATOM 1327 CB LEU 84 6.239 -38.020 24.922 1.00 42.25 ATOM 1328 HB1 LEU 84 5.930 -38.421 23.963 1.00 37.30 ATOM 1329 HB2 LEU 84 6.385 -38.854 25.602 1.00 40.22 ATOM 1330 CG LEU 84 7.581 -37.309 24.744 1.00 42.32 ATOM 1331 HG LEU 84 7.773 -36.673 25.589 1.00 75.32 ATOM 1332 CD1 LEU 84 8.714 -38.320 24.662 1.00 3.44 ATOM 1333 HD11 LEU 84 8.440 -39.131 24.005 1.00 31.22 ATOM 1334 HD12 LEU 84 8.906 -38.714 25.646 1.00 54.42 ATOM 1335 HD13 LEU 84 9.614 -37.845 24.293 1.00 51.33 ATOM 1336 CD2 LEU 84 7.558 -36.429 23.502 1.00 24.22 ATOM 1337 HD21 LEU 84 6.664 -36.599 22.926 1.00 42.44 ATOM 1338 HD22 LEU 84 8.418 -36.637 22.893 1.00 41.34 ATOM 1339 HD23 LEU 84 7.585 -35.394 23.808 1.00 11.11 ATOM 1340 C LEU 84 3.852 -38.030 25.670 1.00 44.11 ATOM 1341 O LEU 84 3.087 -38.246 24.730 1.00 13.14 ATOM 1342 N ARG 85 3.656 -38.517 26.891 1.00 54.22 ATOM 1343 HN ARG 85 4.312 -38.345 27.595 1.00 37.30 ATOM 1344 CA ARG 85 2.503 -39.353 27.203 1.00 12.22 ATOM 1345 HA ARG 85 2.392 -40.082 26.407 1.00 53.32 ATOM 1346 CB ARG 85 2.721 -40.086 28.528 1.00 4.52 ATOM 1347 HB1 ARG 85 2.366 -39.474 29.349 1.00 37.30 ATOM 1348 HB2 ARG 85 3.784 -40.241 28.656 1.00 63.20 ATOM 1349 CG ARG 85 2.020 -41.432 28.603 1.00 51.14 ATOM 1350 HG1 ARG 85 2.127 -41.947 27.657 1.00 37.30 ATOM 1351 HG2 ARG 85 0.973 -41.270 28.809 1.00 53.43 ATOM 1352 CD ARG 85 2.606 -42.305 29.701 1.00 35.12 ATOM 1353 HD1 ARG 85 2.046 -43.228 29.744 1.00 37.30 ATOM 1354 HD2 ARG 85 2.513 -41.787 30.646 1.00 24.14 ATOM 1355 NE ARG 85 4.012 -42.617 29.461 1.00 32.50 ATOM 1356 HE ARG 85 4.414 -42.320 28.611 1.00 60.43 ATOM 1357 CZ ARG 85 4.774 -43.283 30.321 1.00 21.15 ATOM 1358 NH1 ARG 85 4.268 -43.705 31.472 1.00 2.52 ATOM 1359 HH11 ARG 85 3.314 -43.534 31.715 1.00 4.31 ATOM 1360 HH12 ARG 85 4.851 -44.207 32.115 1.00 40.41 ATOM 1361 NH2 ARG 85 6.045 -43.529 30.031 1.00 3.12 ATOM 1362 HH21 ARG 85 6.432 -43.215 29.162 1.00 42.15 ATOM 1363 HH22 ARG 85 6.623 -44.029 30.679 1.00 2.43 ATOM 1364 C ARG 85 1.229 -38.517 27.276 1.00 15.42 ATOM 1365 O ARG 85 0.141 -38.995 26.958 1.00 33.12 ATOM 1366 N GLY 86 1.372 -37.264 27.698 1.00 1.23 ATOM 1367 HN GLY 86 2.254 -36.923 27.962 1.00 37.30 ATOM 1368 CA GLY 86 0.225 -36.381 27.806 1.00 20.43 ATOM 1369 HA1 GLY 86 0.466 -35.589 28.486 1.00 37.30 ATOM 1370 HA2 GLY 86 -0.621 -36.929 28.204 1.00 33.13 ATOM 1371 C GLY 86 -0.168 -35.776 26.473 1.00 33.24 ATOM 1372 O GLY 86 -1.296 -35.955 26.012 1.00 50.15 ATOM 1373 N CYS 87 0.762 -35.057 25.855 1.00 75.24 ATOM 1374 HN CYS 87 1.648 -34.948 26.278 1.00 37.30 ATOM 1375 CA CYS 87 0.505 -34.421 24.567 1.00 2.14 ATOM 1376 HA CYS 87 -0.283 -33.692 24.707 1.00 12.02 ATOM 1377 CB CYS 87 1.767 -33.721 24.061 1.00 61.24 ATOM 1378 HB1 CYS 87 1.767 -33.694 22.980 1.00 37.30 ATOM 1379 HB2 CYS 87 2.637 -34.269 24.393 1.00 11.50 ATOM 1380 SG CYS 87 1.950 -32.018 24.640 1.00 70.12 ATOM 1381 HG CYS 87 0.738 -31.504 24.788 1.00 24.25 ATOM 1382 C CYS 87 0.029 -35.443 23.541 1.00 72.32 ATOM 1383 O CYS 87 -0.764 -35.126 22.655 1.00 43.01 ATOM 1384 N GLY 88 0.520 -36.673 23.666 1.00 55.22 ATOM 1385 HN GLY 88 1.175 -36.882 24.366 1.00 37.30 ATOM 1386 CA GLY 88 0.134 -37.723 22.741 1.00 2.11 ATOM 1387 HA1 GLY 88 0.934 -38.446 22.692 1.00 37.30 ATOM 1388 HA2 GLY 88 -0.015 -37.309 21.751 1.00 23.42 ATOM 1389 C GLY 88 -1.132 -38.437 23.170 1.00 71.20 ATOM 1390 O GLY 88 -1.702 -39.217 22.407 1.00 43.30 ATOM 1391 N ALA 89 -1.573 -38.172 24.395 1.00 21.34 ATOM 1392 HN ALA 89 -1.088 -37.554 24.962 1.00 37.30 ATOM 1393 CA ALA 89 -2.780 -38.795 24.924 1.00 21.34 ATOM 1394 HA ALA 89 -2.844 -39.809 24.543 1.00 30.55 ATOM 1395 CB ALA 89 -2.710 -38.877 26.442 1.00 11.41 ATOM 1396 HB1 ALA 89 -2.300 -37.965 26.843 1.00 41.03 ATOM 1397 HB2 ALA 89 -2.084 -39.708 26.722 1.00 5.14 ATOM 1398 HB3 ALA 89 -3.700 -39.035 26.853 1.00 21.00 ATOM 1399 C ALA 89 -4.027 -38.032 24.490 1.00 21.43 ATOM 1400 O ALA 89 -4.859 -38.555 23.749 1.00 33.13 ATOM 1401 N SER 90 -4.150 -36.794 24.957 1.00 2.01 ATOM 1402 HN SER 90 -3.438 -36.417 25.528 1.00 37.30 ATOM 1403 CA SER 90 -5.298 -35.961 24.620 1.00 11.35 ATOM 1404 HA SER 90 -6.184 -36.585 24.602 1.00 60.31 ATOM 1405 CB SER 90 -5.492 -34.872 25.677 1.00 11.24 ATOM 1406 HB1 SER 90 -4.632 -34.219 25.697 1.00 37.30 ATOM 1407 HB2 SER 90 -5.607 -35.337 26.645 1.00 52.14 ATOM 1408 OG SER 90 -6.651 -34.101 25.409 1.00 64.01 ATOM 1409 HG SER 90 -6.444 -33.420 24.764 1.00 30.43 ATOM 1410 C SER 90 -5.123 -35.325 23.245 1.00 51.52 ATOM 1411 O SER 90 -5.883 -35.604 22.317 1.00 35.40 ATOM 1412 N LEU 91 -4.116 -34.467 23.120 1.00 31.15 ATOM 1413 HN LEU 91 -3.527 -34.297 23.892 1.00 37.30 ATOM 1414 CA LEU 91 -3.839 -33.790 21.858 1.00 13.24 ATOM 1415 HA LEU 91 -4.722 -33.229 21.577 1.00 2.24 ATOM 1416 CB LEU 91 -2.661 -32.828 22.021 1.00 62.23 ATOM 1417 HB1 LEU 91 -2.088 -32.824 21.104 1.00 37.30 ATOM 1418 HB2 LEU 91 -2.025 -33.213 22.804 1.00 3.13 ATOM 1419 CG LEU 91 -3.017 -31.383 22.369 1.00 12.41 ATOM 1420 HG LEU 91 -3.871 -31.372 23.034 1.00 55.32 ATOM 1421 CD1 LEU 91 -1.862 -30.708 23.092 1.00 12.53 ATOM 1422 HD11 LEU 91 -1.051 -30.522 22.412 1.00 40.13 ATOM 1423 HD12 LEU 91 -1.515 -31.336 23.902 1.00 23.12 ATOM 1424 HD13 LEU 91 -2.204 -29.767 23.499 1.00 44.31 ATOM 1425 CD2 LEU 91 -3.389 -30.607 21.113 1.00 24.43 ATOM 1426 HD21 LEU 91 -3.582 -29.572 21.363 1.00 21.30 ATOM 1427 HD22 LEU 91 -4.278 -31.038 20.677 1.00 61.44 ATOM 1428 HD23 LEU 91 -2.581 -30.661 20.401 1.00 11.21 ATOM 1429 C LEU 91 -3.539 -34.798 20.754 1.00 54.13 ATOM 1430 O LEU 91 -3.872 -34.575 19.589 1.00 23.15 ATOM 1431 N ARG 92 -2.911 -35.908 21.127 1.00 12.14 ATOM 1432 HN ARG 92 -2.647 -36.039 22.064 1.00 37.30 ATOM 1433 CA ARG 92 -2.568 -36.951 20.168 1.00 4.05 ATOM 1434 HA ARG 92 -2.006 -37.705 20.683 1.00 55.23 ATOM 1435 CB ARG 92 -3.836 -37.569 19.579 1.00 74.52 ATOM 1436 HB1 ARG 92 -3.623 -37.999 18.607 1.00 37.30 ATOM 1437 HB2 ARG 92 -4.589 -36.810 19.448 1.00 14.12 ATOM 1438 CG ARG 92 -4.439 -38.664 20.444 1.00 33.01 ATOM 1439 HG1 ARG 92 -5.475 -38.797 20.165 1.00 37.30 ATOM 1440 HG2 ARG 92 -4.384 -38.369 21.477 1.00 31.25 ATOM 1441 CD ARG 92 -3.703 -39.983 20.267 1.00 13.12 ATOM 1442 HD1 ARG 92 -3.837 -40.569 21.165 1.00 37.30 ATOM 1443 HD2 ARG 92 -2.645 -39.796 20.123 1.00 54.40 ATOM 1444 NE ARG 92 -4.214 -40.746 19.132 1.00 63.43 ATOM 1445 HE ARG 92 -4.972 -40.370 18.626 1.00 24.31 ATOM 1446 CZ ARG 92 -3.713 -41.915 18.747 1.00 4.00 ATOM 1447 NH1 ARG 92 -2.693 -42.452 19.404 1.00 55.51 ATOM 1448 HH11 ARG 92 -2.285 -41.995 20.193 1.00 32.11 ATOM 1449 HH12 ARG 92 -2.321 -43.334 19.107 1.00 62.21 ATOM 1450 NH2 ARG 92 -4.231 -42.550 17.704 1.00 54.44 ATOM 1451 HH21 ARG 92 -5.002 -42.151 17.203 1.00 22.31 ATOM 1452 HH22 ARG 92 -3.854 -43.432 17.412 1.00 44.42 ATOM 1453 C ARG 92 -1.693 -36.394 19.049 1.00 1.31 ATOM 1454 O ARG 92 -1.685 -36.916 17.934 1.00 75.32 ATOM 1455 N LEU 93 -0.958 -35.330 19.354 1.00 63.11 ATOM 1456 HN LEU 93 -0.971 -34.982 20.268 1.00 37.30 ATOM 1457 CA LEU 93 -0.079 -34.701 18.374 1.00 53.12 ATOM 1458 HA LEU 93 -0.624 -34.596 17.444 1.00 42.31 ATOM 1459 CB LEU 93 0.339 -33.310 18.853 1.00 22.05 ATOM 1460 HB1 LEU 93 -0.566 -32.718 18.897 1.00 37.30 ATOM 1461 HB2 LEU 93 0.983 -32.859 18.108 1.00 64.35 ATOM 1462 CG LEU 93 1.022 -33.249 20.220 1.00 3.32 ATOM 1463 HG LEU 93 0.702 -34.074 20.837 1.00 33.15 ATOM 1464 CD1 LEU 93 2.531 -33.360 20.068 1.00 4.11 ATOM 1465 HD11 LEU 93 2.790 -34.386 19.892 1.00 2.51 ATOM 1466 HD12 LEU 93 3.020 -33.030 20.977 1.00 53.40 ATOM 1467 HD13 LEU 93 2.873 -32.752 19.240 1.00 75.04 ATOM 1468 CD2 LEU 93 0.651 -31.963 20.945 1.00 74.40 ATOM 1469 HD21 LEU 93 -0.405 -31.788 20.867 1.00 52.20 ATOM 1470 HD22 LEU 93 1.177 -31.128 20.504 1.00 61.21 ATOM 1471 HD23 LEU 93 0.920 -32.043 21.977 1.00 35.24 ATOM 1472 C LEU 93 1.157 -35.558 18.121 1.00 2.34 ATOM 1473 O LEU 93 1.309 -36.631 18.704 1.00 42.13 ATOM 1474 N GLU 94 2.038 -35.074 17.251 1.00 23.31 ATOM 1475 HN GLU 94 1.867 -34.205 16.820 1.00 37.30 ATOM 1476 CA GLU 94 3.262 -35.796 16.924 1.00 62.15 ATOM 1477 HA GLU 94 3.008 -36.842 16.783 1.00 1.12 ATOM 1478 CB GLU 94 3.858 -35.268 15.617 1.00 2.41 ATOM 1479 HB1 GLU 94 4.618 -35.963 15.285 1.00 37.30 ATOM 1480 HB2 GLU 94 4.318 -34.303 15.797 1.00 5.33 ATOM 1481 CG GLU 94 2.835 -35.094 14.508 1.00 54.43 ATOM 1482 HG1 GLU 94 2.325 -34.153 14.652 1.00 37.30 ATOM 1483 HG2 GLU 94 2.117 -35.902 14.552 1.00 52.44 ATOM 1484 CD GLU 94 3.464 -35.094 13.128 1.00 11.41 ATOM 1485 OE1 GLU 94 2.828 -35.609 12.185 1.00 12.32 ATOM 1486 OE2 GLU 94 4.593 -34.578 12.992 1.00 42.21 ATOM 1487 C GLU 94 4.285 -35.672 18.049 1.00 1.40 ATOM 1488 O GLU 94 4.695 -34.569 18.413 1.00 15.41 ATOM 1489 N THR 95 4.694 -36.811 18.598 1.00 63.32 ATOM 1490 HN THR 95 4.343 -37.669 18.265 1.00 37.30 ATOM 1491 CA THR 95 5.667 -36.831 19.683 1.00 64.24 ATOM 1492 HA THR 95 5.805 -35.824 20.064 1.00 53.15 ATOM 1493 CB THR 95 5.191 -37.718 20.849 1.00 53.33 ATOM 1494 HB THR 95 5.988 -37.842 21.562 1.00 42.33 ATOM 1495 OG1 THR 95 4.818 -39.011 20.360 1.00 14.11 ATOM 1496 HG1 THR 95 4.884 -39.657 21.068 1.00 34.02 ATOM 1497 CG2 THR 95 4.010 -37.080 21.565 1.00 34.51 ATOM 1498 HG21 THR 95 3.193 -36.946 20.870 1.00 42.34 ATOM 1499 HG22 THR 95 4.304 -36.120 21.965 1.00 41.51 ATOM 1500 HG23 THR 95 3.692 -37.722 22.372 1.00 62.22 ATOM 1501 C THR 95 7.022 -37.335 19.197 1.00 12.22 ATOM 1502 O THR 95 7.172 -37.723 18.039 1.00 60.34 ATOM 1503 N PHE 96 8.006 -37.326 20.090 1.00 32.23 ATOM 1504 HN PHE 96 7.834 -37.003 20.985 1.00 37.30 ATOM 1505 CA PHE 96 9.349 -37.782 19.752 1.00 20.32 ATOM 1506 HA PHE 96 9.319 -38.327 18.816 1.00 2.40 ATOM 1507 CB PHE 96 10.290 -36.587 19.588 1.00 61.03 ATOM 1508 HB1 PHE 96 9.889 -35.935 18.823 1.00 37.30 ATOM 1509 HB2 PHE 96 11.261 -36.938 19.264 1.00 54.51 ATOM 1510 CG PHE 96 10.459 -35.780 20.843 1.00 54.51 ATOM 1511 CD1 PHE 96 9.460 -34.918 21.267 1.00 1.05 ATOM 1512 HD1 PHE 96 8.555 -34.850 20.696 1.00 71.40 ATOM 1513 CD2 PHE 96 11.616 -35.882 21.598 1.00 51.31 ATOM 1514 HD2 PHE 96 12.403 -36.540 21.274 1.00 44.25 ATOM 1515 CE1 PHE 96 9.612 -34.174 22.422 1.00 12.33 ATOM 1516 HE1 PHE 96 8.826 -33.506 22.741 1.00 33.53 ATOM 1517 CE2 PHE 96 11.773 -35.140 22.754 1.00 60.43 ATOM 1518 HE2 PHE 96 12.666 -35.232 23.336 1.00 10.51 ATOM 1519 CZ PHE 96 10.770 -34.284 23.166 1.00 64.43 ATOM 1520 HZ PHE 96 10.891 -33.703 24.069 1.00 73.55 ATOM 1521 C PHE 96 9.889 -38.725 20.823 1.00 31.35 ATOM 1522 O PHE 96 9.221 -38.995 21.822 1.00 2.00 ATOM 1523 N ASP 97 11.101 -39.224 20.608 1.00 42.43 ATOM 1524 HN ASP 97 11.592 -38.978 19.789 1.00 37.30 ATOM 1525 CA ASP 97 11.732 -40.136 21.554 1.00 23.30 ATOM 1526 HA ASP 97 10.951 -40.678 22.082 1.00 11.23 ATOM 1527 CB ASP 97 12.614 -41.143 20.814 1.00 60.13 ATOM 1528 HB1 ASP 97 13.413 -41.482 21.465 1.00 37.30 ATOM 1529 HB2 ASP 97 13.049 -40.670 19.946 1.00 10.10 ATOM 1530 CG ASP 97 11.840 -42.362 20.353 1.00 35.32 ATOM 1531 OD1 ASP 97 12.321 -43.492 20.582 1.00 15.42 ATOM 1532 OD2 ASP 97 10.753 -42.187 19.763 1.00 73.21 ATOM 1533 C ASP 97 12.564 -39.369 22.577 1.00 12.11 ATOM 1534 O ASP 97 13.295 -38.443 22.228 1.00 24.00 ATOM 1535 N ALA 98 12.445 -39.760 23.842 1.00 40.13 ATOM 1536 HN ALA 98 11.847 -40.515 24.060 1.00 37.30 ATOM 1537 CA ALA 98 13.186 -39.110 24.915 1.00 1.43 ATOM 1538 HA ALA 98 13.026 -38.046 24.840 1.00 41.41 ATOM 1539 CB ALA 98 12.668 -39.571 26.269 1.00 21.43 ATOM 1540 HB1 ALA 98 13.185 -39.041 27.055 1.00 61.24 ATOM 1541 HB2 ALA 98 12.839 -40.633 26.380 1.00 53.02 ATOM 1542 HB3 ALA 98 11.610 -39.374 26.337 1.00 50.22 ATOM 1543 C ALA 98 14.681 -39.386 24.796 1.00 20.33 ATOM 1544 O ALA 98 15.506 -38.598 25.256 1.00 21.44 ATOM 1545 N ASN 99 15.022 -40.511 24.176 1.00 23.44 ATOM 1546 HN ASN 99 14.321 -41.106 23.825 1.00 37.30 ATOM 1547 CA ASN 99 16.419 -40.893 23.998 1.00 12.53 ATOM 1548 HA ASN 99 16.910 -40.845 24.962 1.00 31.33 ATOM 1549 CB ASN 99 16.515 -42.325 23.471 1.00 74.54 ATOM 1550 HB1 ASN 99 17.554 -42.623 23.437 1.00 37.30 ATOM 1551 HB2 ASN 99 16.098 -42.370 22.474 1.00 65.53 ATOM 1552 CG ASN 99 15.764 -43.314 24.342 1.00 24.01 ATOM 1553 OD1 ASN 99 14.763 -43.893 23.922 1.00 34.31 ATOM 1554 ND2 ASN 99 16.247 -43.511 25.563 1.00 1.15 ATOM 1555 HD21 ASN 99 17.052 -43.020 25.845 1.00 1.53 ATOM 1556 HD22 ASN 99 15.776 -44.146 26.142 1.00 70.32 ATOM 1557 C ASN 99 17.125 -39.938 23.041 1.00 44.31 ATOM 1558 O ASN 99 18.277 -39.561 23.261 1.00 55.30 ATOM 1559 N ASP 100 16.428 -39.550 21.979 1.00 60.44 ATOM 1560 HN ASP 100 15.512 -39.892 21.847 1.00 37.30 ATOM 1561 CA ASP 100 16.987 -38.638 20.988 1.00 63.11 ATOM 1562 HA ASP 100 17.937 -39.042 20.655 1.00 61.33 ATOM 1563 CB ASP 100 16.044 -38.511 19.791 1.00 50.33 ATOM 1564 HB1 ASP 100 16.189 -37.552 19.308 1.00 37.30 ATOM 1565 HB2 ASP 100 15.020 -38.580 20.129 1.00 52.23 ATOM 1566 CG ASP 100 16.278 -39.590 18.752 1.00 51.11 ATOM 1567 OD1 ASP 100 17.265 -39.481 17.995 1.00 42.14 ATOM 1568 OD2 ASP 100 15.474 -40.544 18.697 1.00 43.12 ATOM 1569 C ASP 100 17.243 -37.264 21.598 1.00 2.41 ATOM 1570 O ASP 100 18.104 -36.516 21.132 1.00 51.12 ATOM 1571 N LEU 101 16.490 -36.936 22.642 1.00 21.34 ATOM 1572 HN LEU 101 15.802 -37.558 22.970 1.00 37.30 ATOM 1573 CA LEU 101 16.634 -35.651 23.317 1.00 43.34 ATOM 1574 HA LEU 101 16.942 -34.912 22.588 1.00 54.54 ATOM 1575 CB LEU 101 15.297 -35.214 23.917 1.00 73.51 ATOM 1576 HB1 LEU 101 14.865 -36.065 24.428 1.00 37.30 ATOM 1577 HB2 LEU 101 14.651 -34.945 23.106 1.00 75.21 ATOM 1578 CG LEU 101 15.352 -34.047 24.902 1.00 2.43 ATOM 1579 HG LEU 101 15.924 -34.335 25.772 1.00 72.33 ATOM 1580 CD1 LEU 101 16.034 -32.844 24.267 1.00 31.54 ATOM 1581 HD11 LEU 101 16.256 -33.020 23.227 1.00 11.41 ATOM 1582 HD12 LEU 101 16.957 -32.647 24.789 1.00 61.13 ATOM 1583 HD13 LEU 101 15.406 -31.977 24.339 1.00 65.32 ATOM 1584 CD2 LEU 101 13.953 -33.680 25.375 1.00 73.43 ATOM 1585 HD21 LEU 101 14.025 -33.002 26.197 1.00 65.35 ATOM 1586 HD22 LEU 101 13.431 -34.570 25.700 1.00 3.44 ATOM 1587 HD23 LEU 101 13.399 -33.216 24.570 1.00 11.12 ATOM 1588 C LEU 101 17.695 -35.725 24.410 1.00 22.20 ATOM 1589 O LEU 101 18.607 -34.900 24.461 1.00 4.23 ATOM 1590 N TYR 102 17.571 -36.720 25.281 1.00 34.20 ATOM 1591 HN TYR 102 16.817 -37.349 25.188 1.00 37.30 ATOM 1592 CA TYR 102 18.518 -36.903 26.374 1.00 45.22 ATOM 1593 HA TYR 102 18.441 -36.035 27.009 1.00 35.43 ATOM 1594 CB TYR 102 18.176 -38.164 27.169 1.00 15.41 ATOM 1595 HB1 TYR 102 18.522 -39.043 26.635 1.00 37.30 ATOM 1596 HB2 TYR 102 17.105 -38.212 27.262 1.00 22.34 ATOM 1597 CG TYR 102 18.757 -38.176 28.565 1.00 52.22 ATOM 1598 CD1 TYR 102 18.589 -37.092 29.418 1.00 43.44 ATOM 1599 HD1 TYR 102 18.032 -36.231 29.079 1.00 50.53 ATOM 1600 CD2 TYR 102 19.474 -39.271 29.031 1.00 50.34 ATOM 1601 HD2 TYR 102 19.617 -40.125 28.383 1.00 44.35 ATOM 1602 CE1 TYR 102 19.119 -37.098 30.694 1.00 41.15 ATOM 1603 HE1 TYR 102 18.977 -36.246 31.342 1.00 3.31 ATOM 1604 CE2 TYR 102 20.006 -39.286 30.305 1.00 30.43 ATOM 1605 HE2 TYR 102 20.564 -40.144 30.646 1.00 21.24 ATOM 1606 CZ TYR 102 19.826 -38.198 31.133 1.00 41.31 ATOM 1607 OH TYR 102 20.356 -38.209 32.403 1.00 53.21 ATOM 1608 HH TYR 102 21.311 -38.099 32.360 1.00 54.24 ATOM 1609 C TYR 102 19.947 -36.994 25.846 1.00 1.42 ATOM 1610 O TYR 102 20.840 -36.290 26.318 1.00 54.53 ATOM 1611 N GLN 103 20.154 -37.865 24.865 1.00 62.53 ATOM 1612 HN GLN 103 19.396 -38.395 24.519 1.00 37.30 ATOM 1613 CA GLN 103 21.474 -38.049 24.272 1.00 32.14 ATOM 1614 HA GLN 103 22.218 -37.988 25.059 1.00 61.30 ATOM 1615 CB GLN 103 21.572 -39.425 23.610 1.00 1.54 ATOM 1616 HB1 GLN 103 22.486 -39.487 23.031 1.00 37.30 ATOM 1617 HB2 GLN 103 20.732 -39.537 22.941 1.00 21.42 ATOM 1618 CG GLN 103 21.533 -40.579 24.598 1.00 21.32 ATOM 1619 HG1 GLN 103 21.166 -41.455 24.083 1.00 37.30 ATOM 1620 HG2 GLN 103 20.855 -40.337 25.408 1.00 54.11 ATOM 1621 CD GLN 103 22.898 -40.901 25.174 1.00 60.20 ATOM 1622 OE1 GLN 103 23.917 -40.770 24.496 1.00 63.24 ATOM 1623 NE2 GLN 103 22.925 -41.325 26.432 1.00 22.30 ATOM 1624 HE21 GLN 103 22.079 -41.411 26.927 1.00 4.30 ATOM 1625 HE22 GLN 103 23.798 -41.538 26.822 1.00 33.31 ATOM 1626 C GLN 103 21.768 -36.957 23.249 1.00 30.02 ATOM 1627 O GLN 103 22.921 -36.725 22.888 1.00 11.35 ATOM 1628 N GLY 104 20.716 -36.289 22.784 1.00 22.25 ATOM 1629 HN GLY 104 19.813 -36.529 23.059 1.00 37.30 ATOM 1630 CA GLY 104 20.883 -35.230 21.807 1.00 50.13 ATOM 1631 HA1 GLY 104 21.653 -34.546 22.141 1.00 37.30 ATOM 1632 HA2 GLY 104 19.952 -34.688 21.725 1.00 52.22 ATOM 1633 C GLY 104 21.257 -35.759 20.437 1.00 65.34 ATOM 1634 O GLY 104 22.060 -35.152 19.728 1.00 21.04 ATOM 1635 N GLN 105 20.676 -36.895 20.063 1.00 2.25 ATOM 1636 HN GLN 105 20.016 -37.324 20.657 1.00 37.30 ATOM 1637 CA GLN 105 20.956 -37.507 18.770 1.00 41.52 ATOM 1638 HA GLN 105 22.015 -37.404 18.562 1.00 43.11 ATOM 1639 CB GLN 105 20.611 -38.996 18.801 1.00 20.41 ATOM 1640 HB1 GLN 105 20.907 -39.449 17.863 1.00 37.30 ATOM 1641 HB2 GLN 105 19.540 -39.104 18.917 1.00 75.11 ATOM 1642 CG GLN 105 21.277 -39.751 19.940 1.00 20.32 ATOM 1643 HG1 GLN 105 20.763 -40.693 20.067 1.00 37.30 ATOM 1644 HG2 GLN 105 21.197 -39.183 20.854 1.00 55.15 ATOM 1645 CD GLN 105 22.740 -40.043 19.670 1.00 0.14 ATOM 1646 OE1 GLN 105 23.092 -41.121 19.191 1.00 31.21 ATOM 1647 NE2 GLN 105 23.602 -39.081 19.977 1.00 1.33 ATOM 1648 HE21 GLN 105 23.265 -38.239 20.358 1.00 32.10 ATOM 1649 HE22 GLN 105 24.553 -39.251 19.810 1.00 12.42 ATOM 1650 C GLN 105 20.173 -36.814 17.659 1.00 35.35 ATOM 1651 O GLN 105 20.705 -36.550 16.583 1.00 63.24 ATOM 1652 N ASN 106 18.904 -36.523 17.930 1.00 61.52 ATOM 1653 HN ASN 106 18.517 -36.776 18.800 1.00 37.30 ATOM 1654 CA ASN 106 18.047 -35.863 16.953 1.00 54.53 ATOM 1655 HA ASN 106 18.665 -35.425 16.174 1.00 63.20 ATOM 1656 CB ASN 106 17.096 -36.875 16.310 1.00 12.43 ATOM 1657 HB1 ASN 106 16.370 -36.348 15.705 1.00 37.30 ATOM 1658 HB2 ASN 106 16.581 -37.415 17.082 1.00 10.02 ATOM 1659 CG ASN 106 17.820 -37.859 15.413 1.00 71.15 ATOM 1660 OD1 ASN 106 18.927 -37.591 14.944 1.00 34.43 ATOM 1661 ND2 ASN 106 17.196 -39.006 15.168 1.00 5.11 ATOM 1662 HD21 ASN 106 16.312 -39.166 15.569 1.00 55.32 ATOM 1663 HD22 ASN 106 17.648 -39.656 14.590 1.00 3.23 ATOM 1664 C ASN 106 17.246 -34.738 17.603 1.00 24.35 ATOM 1665 O ASN 106 16.157 -34.962 18.131 1.00 31.23 ATOM 1666 N PHE 107 17.794 -33.528 17.561 1.00 25.44 ATOM 1667 HN PHE 107 18.666 -33.409 17.113 1.00 37.30 ATOM 1668 CA PHE 107 17.133 -32.368 18.147 1.00 35.51 ATOM 1669 HA PHE 107 16.756 -32.650 19.123 1.00 72.25 ATOM 1670 CB PHE 107 18.128 -31.219 18.317 1.00 54.40 ATOM 1671 HB1 PHE 107 18.479 -30.904 17.341 1.00 37.30 ATOM 1672 HB2 PHE 107 18.970 -31.575 18.894 1.00 44.32 ATOM 1673 CG PHE 107 17.554 -30.031 19.036 1.00 63.10 ATOM 1674 CD1 PHE 107 17.019 -30.166 20.307 1.00 23.10 ATOM 1675 HD1 PHE 107 17.015 -31.136 20.785 1.00 50.30 ATOM 1676 CD2 PHE 107 17.551 -28.780 18.441 1.00 12.32 ATOM 1677 HD2 PHE 107 17.965 -28.659 17.449 1.00 54.13 ATOM 1678 CE1 PHE 107 16.490 -29.075 20.970 1.00 25.14 ATOM 1679 HE1 PHE 107 16.078 -29.194 21.956 1.00 70.21 ATOM 1680 CE2 PHE 107 17.024 -27.685 19.100 1.00 54.20 ATOM 1681 HE2 PHE 107 17.025 -26.718 18.624 1.00 71.12 ATOM 1682 CZ PHE 107 16.494 -27.833 20.367 1.00 53.33 ATOM 1683 HZ PHE 107 16.074 -26.988 20.870 1.00 52.12 ATOM 1684 C PHE 107 15.960 -31.917 17.282 1.00 75.23 ATOM 1685 O PHE 107 15.008 -31.313 17.774 1.00 35.42 ATOM 1686 N ASN 108 16.037 -32.215 15.989 1.00 51.23 ATOM 1687 HN ASN 108 16.856 -32.610 15.653 1.00 37.30 ATOM 1688 CA ASN 108 14.983 -31.839 15.054 1.00 73.15 ATOM 1689 HA ASN 108 14.965 -30.761 14.988 1.00 3.44 ATOM 1690 CB ASN 108 15.274 -32.415 13.666 1.00 33.54 ATOM 1691 HB1 ASN 108 16.071 -31.842 13.212 1.00 37.30 ATOM 1692 HB2 ASN 108 14.391 -32.339 13.043 1.00 45.33 ATOM 1693 CG ASN 108 15.699 -33.870 13.722 1.00 5.13 ATOM 1694 OD1 ASN 108 14.870 -34.775 13.630 1.00 62.14 ATOM 1695 ND2 ASN 108 16.998 -34.100 13.875 1.00 63.51 ATOM 1696 HD21 ASN 108 17.619 -33.340 13.935 1.00 71.30 ATOM 1697 HD22 ASN 108 17.291 -35.034 13.923 1.00 42.34 ATOM 1698 C ASN 108 13.622 -32.325 15.543 1.00 22.55 ATOM 1699 O ASN 108 12.661 -31.558 15.604 1.00 20.53 ATOM 1700 N LYS 109 13.548 -33.605 15.893 1.00 62.32 ATOM 1701 HN LYS 109 14.364 -34.147 15.891 1.00 37.30 ATOM 1702 CA LYS 109 12.307 -34.196 16.380 1.00 40.54 ATOM 1703 HA LYS 109 11.552 -34.072 15.615 1.00 5.04 ATOM 1704 CB LYS 109 12.499 -35.690 16.645 1.00 31.43 ATOM 1705 HB1 LYS 109 11.528 -36.129 16.833 1.00 37.30 ATOM 1706 HB2 LYS 109 13.120 -35.818 17.523 1.00 62.55 ATOM 1707 CG LYS 109 13.158 -36.433 15.496 1.00 51.23 ATOM 1708 HG1 LYS 109 14.218 -36.241 15.515 1.00 37.30 ATOM 1709 HG2 LYS 109 12.745 -36.085 14.559 1.00 30.23 ATOM 1710 CD LYS 109 12.928 -37.932 15.595 1.00 5.43 ATOM 1711 HD1 LYS 109 13.397 -38.413 14.749 1.00 37.30 ATOM 1712 HD2 LYS 109 11.866 -38.130 15.579 1.00 23.13 ATOM 1713 CE LYS 109 13.519 -38.502 16.876 1.00 51.13 ATOM 1714 HE1 LYS 109 13.070 -38.015 17.729 1.00 37.30 ATOM 1715 HE2 LYS 109 14.583 -38.324 16.881 1.00 3.31 ATOM 1716 NZ LYS 109 13.279 -39.967 16.993 1.00 51.04 ATOM 1717 HZ1 LYS 109 12.257 -40.165 17.018 1.00 30.12 ATOM 1718 HZ2 LYS 109 13.710 -40.328 17.867 1.00 32.11 ATOM 1719 HZ3 LYS 109 13.700 -40.469 16.183 1.00 61.01 ATOM 1720 C LYS 109 11.836 -33.499 17.652 1.00 54.30 ATOM 1721 O LYS 109 10.639 -33.281 17.846 1.00 65.03 ATOM 1722 N VAL 110 12.783 -33.150 18.516 1.00 4.22 ATOM 1723 HN VAL 110 13.723 -33.317 18.286 1.00 37.30 ATOM 1724 CA VAL 110 12.465 -32.475 19.769 1.00 70.02 ATOM 1725 HA VAL 110 11.725 -33.070 20.293 1.00 35.13 ATOM 1726 CB VAL 110 13.708 -32.347 20.669 1.00 2.20 ATOM 1727 HB VAL 110 14.397 -31.645 20.215 1.00 22.52 ATOM 1728 CG1 VAL 110 13.322 -31.812 22.040 1.00 63.13 ATOM 1729 HG11 VAL 110 14.214 -31.645 22.616 1.00 11.31 ATOM 1730 HG12 VAL 110 12.698 -32.526 22.548 1.00 50.43 ATOM 1731 HG13 VAL 110 12.788 -30.881 21.938 1.00 0.15 ATOM 1732 CG2 VAL 110 14.418 -33.687 20.791 1.00 52.22 ATOM 1733 HG21 VAL 110 13.746 -34.428 21.158 1.00 51.41 ATOM 1734 HG22 VAL 110 15.249 -33.595 21.470 1.00 51.33 ATOM 1735 HG23 VAL 110 14.792 -33.990 19.833 1.00 30.10 ATOM 1736 C VAL 110 11.890 -31.086 19.514 1.00 31.33 ATOM 1737 O VAL 110 10.928 -30.672 20.163 1.00 60.03 ATOM 1738 N LEU 111 12.484 -30.371 18.566 1.00 44.30 ATOM 1739 HN LEU 111 13.254 -30.753 18.082 1.00 37.30 ATOM 1740 CA LEU 111 12.031 -29.027 18.224 1.00 1.10 ATOM 1741 HA LEU 111 12.001 -28.444 19.137 1.00 0.50 ATOM 1742 CB LEU 111 13.004 -28.374 17.240 1.00 31.14 ATOM 1743 HB1 LEU 111 12.677 -28.600 16.230 1.00 37.30 ATOM 1744 HB2 LEU 111 13.982 -28.825 17.375 1.00 70.23 ATOM 1745 CG LEU 111 13.166 -26.859 17.363 1.00 42.41 ATOM 1746 HG LEU 111 12.188 -26.399 17.385 1.00 53.25 ATOM 1747 CD1 LEU 111 13.882 -26.501 18.656 1.00 31.23 ATOM 1748 HD11 LEU 111 14.865 -26.103 18.451 1.00 13.24 ATOM 1749 HD12 LEU 111 13.984 -27.374 19.288 1.00 5.32 ATOM 1750 HD13 LEU 111 13.303 -25.761 19.184 1.00 54.11 ATOM 1751 CD2 LEU 111 13.920 -26.304 16.163 1.00 25.31 ATOM 1752 HD21 LEU 111 14.029 -25.244 16.260 1.00 32.24 ATOM 1753 HD22 LEU 111 13.370 -26.522 15.259 1.00 22.32 ATOM 1754 HD23 LEU 111 14.899 -26.761 16.105 1.00 30.01 ATOM 1755 C LEU 111 10.629 -29.061 17.623 1.00 25.44 ATOM 1756 O LEU 111 9.742 -28.323 18.050 1.00 1.42 ATOM 1757 N SER 112 10.437 -29.926 16.632 1.00 1.31 ATOM 1758 HN SER 112 11.190 -30.490 16.330 1.00 37.30 ATOM 1759 CA SER 112 9.144 -30.056 15.972 1.00 54.24 ATOM 1760 HA SER 112 8.947 -29.136 15.441 1.00 72.40 ATOM 1761 CB SER 112 9.173 -31.211 14.969 1.00 41.22 ATOM 1762 HB1 SER 112 9.420 -32.128 15.484 1.00 37.30 ATOM 1763 HB2 SER 112 9.921 -31.011 14.216 1.00 61.33 ATOM 1764 OG SER 112 7.916 -31.368 14.334 1.00 13.35 ATOM 1765 HG SER 112 7.827 -30.722 13.628 1.00 55.31 ATOM 1766 C SER 112 8.033 -30.282 16.993 1.00 54.05 ATOM 1767 O SER 112 6.947 -29.712 16.882 1.00 61.24 ATOM 1768 N SER 113 8.313 -31.118 17.987 1.00 33.20 ATOM 1769 HN SER 113 9.196 -31.556 18.018 1.00 37.30 ATOM 1770 CA SER 113 7.337 -31.424 19.027 1.00 52.25 ATOM 1771 HA SER 113 6.495 -31.917 18.561 1.00 13.14 ATOM 1772 CB SER 113 7.947 -32.364 20.068 1.00 73.44 ATOM 1773 HB1 SER 113 8.451 -31.799 20.842 1.00 37.30 ATOM 1774 HB2 SER 113 8.662 -33.007 19.578 1.00 31.23 ATOM 1775 OG SER 113 6.952 -33.177 20.665 1.00 31.53 ATOM 1776 HG SER 113 6.499 -32.681 21.352 1.00 11.20 ATOM 1777 C SER 113 6.846 -30.148 19.703 1.00 1.53 ATOM 1778 O SER 113 5.643 -29.891 19.774 1.00 24.20 ATOM 1779 N LEU 114 7.786 -29.350 20.200 1.00 75.13 ATOM 1780 HN LEU 114 8.731 -29.599 20.077 1.00 37.30 ATOM 1781 CA LEU 114 7.451 -28.099 20.871 1.00 33.25 ATOM 1782 HA LEU 114 6.765 -28.321 21.678 1.00 42.42 ATOM 1783 CB LEU 114 8.710 -27.459 21.457 1.00 45.33 ATOM 1784 HB1 LEU 114 8.401 -26.638 22.088 1.00 37.30 ATOM 1785 HB2 LEU 114 9.302 -27.058 20.641 1.00 2.33 ATOM 1786 CG LEU 114 9.613 -28.381 22.277 1.00 10.34 ATOM 1787 HG LEU 114 10.041 -29.123 21.635 1.00 11.12 ATOM 1788 CD1 LEU 114 10.758 -27.594 22.897 1.00 74.11 ATOM 1789 HD11 LEU 114 11.390 -28.266 23.445 1.00 12.33 ATOM 1790 HD12 LEU 114 10.372 -26.834 23.561 1.00 61.11 ATOM 1791 HD13 LEU 114 11.340 -27.133 22.116 1.00 71.40 ATOM 1792 CD2 LEU 114 8.809 -29.094 23.355 1.00 53.43 ATOM 1793 HD21 LEU 114 8.054 -29.717 22.900 1.00 24.21 ATOM 1794 HD22 LEU 114 8.335 -28.367 24.000 1.00 52.34 ATOM 1795 HD23 LEU 114 9.468 -29.714 23.941 1.00 52.54 ATOM 1796 C LEU 114 6.773 -27.129 19.909 1.00 0.23 ATOM 1797 O LEU 114 5.913 -26.343 20.307 1.00 74.22 ATOM 1798 N VAL 115 7.165 -27.190 18.641 1.00 64.43 ATOM 1799 HN VAL 115 7.866 -27.829 18.375 1.00 37.30 ATOM 1800 CA VAL 115 6.594 -26.320 17.621 1.00 52.35 ATOM 1801 HA VAL 115 6.592 -25.303 18.001 1.00 42.40 ATOM 1802 CB VAL 115 7.429 -26.348 16.327 1.00 52.44 ATOM 1803 HB VAL 115 7.439 -27.360 15.945 1.00 71.12 ATOM 1804 CG1 VAL 115 6.807 -25.448 15.270 1.00 52.41 ATOM 1805 HG11 VAL 115 7.488 -25.342 14.435 1.00 62.15 ATOM 1806 HG12 VAL 115 6.605 -24.471 15.688 1.00 30.32 ATOM 1807 HG13 VAL 115 5.886 -25.883 14.912 1.00 20.10 ATOM 1808 CG2 VAL 115 8.865 -25.936 16.611 1.00 3.41 ATOM 1809 HG21 VAL 115 9.524 -26.473 15.945 1.00 2.25 ATOM 1810 HG22 VAL 115 9.139 -26.153 17.630 1.00 44.42 ATOM 1811 HG23 VAL 115 8.989 -24.874 16.442 1.00 32.01 ATOM 1812 C VAL 115 5.160 -26.722 17.296 1.00 54.24 ATOM 1813 O VAL 115 4.355 -25.898 16.858 1.00 23.02 ATOM 1814 N THR 116 4.844 -27.995 17.513 1.00 51.12 ATOM 1815 HN THR 116 5.522 -28.618 17.853 1.00 37.30 ATOM 1816 CA THR 116 3.507 -28.508 17.243 1.00 53.53 ATOM 1817 HA THR 116 3.123 -28.021 16.353 1.00 35.33 ATOM 1818 CB THR 116 3.529 -30.025 16.980 1.00 63.11 ATOM 1819 HB THR 116 3.935 -30.523 17.850 1.00 3.01 ATOM 1820 OG1 THR 116 4.360 -30.314 15.850 1.00 61.30 ATOM 1821 HG1 THR 116 5.282 -30.319 16.120 1.00 45.22 ATOM 1822 CG2 THR 116 2.124 -30.552 16.731 1.00 62.23 ATOM 1823 HG21 THR 116 1.580 -30.600 17.663 1.00 25.22 ATOM 1824 HG22 THR 116 2.188 -31.543 16.307 1.00 72.31 ATOM 1825 HG23 THR 116 1.601 -29.904 16.039 1.00 3.44 ATOM 1826 C THR 116 2.562 -28.218 18.404 1.00 61.43 ATOM 1827 O THR 116 1.443 -27.743 18.204 1.00 64.12 ATOM 1828 N LEU 117 3.018 -28.507 19.617 1.00 25.14 ATOM 1829 HN LEU 117 3.919 -28.898 19.715 1.00 37.30 ATOM 1830 CA LEU 117 2.214 -28.277 20.812 1.00 34.01 ATOM 1831 HA LEU 117 1.380 -28.955 20.786 1.00 33.44 ATOM 1832 CB LEU 117 3.036 -28.566 22.069 1.00 64.52 ATOM 1833 HB1 LEU 117 3.985 -28.056 21.968 1.00 37.30 ATOM 1834 HB2 LEU 117 3.225 -29.631 22.104 1.00 64.31 ATOM 1835 CG LEU 117 2.406 -28.143 23.396 1.00 31.30 ATOM 1836 HG LEU 117 2.249 -27.076 23.402 1.00 42.23 ATOM 1837 CD1 LEU 117 1.051 -28.809 23.580 1.00 51.15 ATOM 1838 HD11 LEU 117 1.044 -29.783 23.117 1.00 35.02 ATOM 1839 HD12 LEU 117 0.292 -28.201 23.120 1.00 34.15 ATOM 1840 HD13 LEU 117 0.821 -28.914 24.633 1.00 45.04 ATOM 1841 CD2 LEU 117 3.330 -28.481 24.557 1.00 32.31 ATOM 1842 HD21 LEU 117 3.220 -29.510 24.834 1.00 24.30 ATOM 1843 HD22 LEU 117 3.072 -27.861 25.396 1.00 61.25 ATOM 1844 HD23 LEU 117 4.356 -28.296 24.278 1.00 53.12 ATOM 1845 C LEU 117 1.693 -26.844 20.850 1.00 11.13 ATOM 1846 O LEU 117 0.618 -26.578 21.385 1.00 15.11 ATOM 1847 N ASN 118 2.463 -25.925 20.277 1.00 11.51 ATOM 1848 HN ASN 118 3.334 -26.179 19.897 1.00 37.30 ATOM 1849 CA ASN 118 2.078 -24.518 20.244 1.00 24.12 ATOM 1850 HA ASN 118 1.656 -24.254 21.206 1.00 72.32 ATOM 1851 CB ASN 118 3.305 -23.638 19.994 1.00 71.32 ATOM 1852 HB1 ASN 118 3.843 -24.019 19.138 1.00 37.30 ATOM 1853 HB2 ASN 118 3.949 -23.673 20.861 1.00 73.21 ATOM 1854 CG ASN 118 2.934 -22.193 19.721 1.00 60.41 ATOM 1855 OD1 ASN 118 2.808 -21.780 18.568 1.00 24.31 ATOM 1856 ND2 ASN 118 2.757 -21.417 20.784 1.00 62.31 ATOM 1857 HD21 ASN 118 2.856 -21.800 21.661 1.00 2.42 ATOM 1858 HD22 ASN 118 2.531 -20.476 20.631 1.00 2.03 ATOM 1859 C ASN 118 1.029 -24.266 19.166 1.00 62.14 ATOM 1860 O ASN 118 0.031 -23.584 19.401 1.00 24.53 ATOM 1861 N LYS 119 1.261 -24.821 17.981 1.00 64.30 ATOM 1862 HN LYS 119 2.082 -25.352 17.848 1.00 37.30 ATOM 1863 CA LYS 119 0.337 -24.660 16.865 1.00 13.43 ATOM 1864 HA LYS 119 0.173 -23.599 16.711 1.00 65.21 ATOM 1865 CB LYS 119 0.930 -25.267 15.592 1.00 21.11 ATOM 1866 HB1 LYS 119 0.132 -25.489 14.892 1.00 37.30 ATOM 1867 HB2 LYS 119 1.427 -26.193 15.852 1.00 54.34 ATOM 1868 CG LYS 119 1.919 -24.355 14.886 1.00 14.15 ATOM 1869 HG1 LYS 119 2.482 -23.794 15.622 1.00 37.30 ATOM 1870 HG2 LYS 119 1.374 -23.669 14.254 1.00 43.52 ATOM 1871 CD LYS 119 2.896 -25.146 14.033 1.00 52.31 ATOM 1872 HD1 LYS 119 3.428 -25.847 14.656 1.00 37.30 ATOM 1873 HD2 LYS 119 3.599 -24.460 13.584 1.00 73.21 ATOM 1874 CE LYS 119 2.180 -25.912 12.931 1.00 41.41 ATOM 1875 HE1 LYS 119 1.358 -25.317 12.551 1.00 37.30 ATOM 1876 HE2 LYS 119 1.795 -26.832 13.343 1.00 5.31 ATOM 1877 NZ LYS 119 3.092 -26.237 11.799 1.00 12.32 ATOM 1878 HZ1 LYS 119 3.885 -26.826 12.130 1.00 71.31 ATOM 1879 HZ2 LYS 119 3.474 -25.364 11.379 1.00 53.32 ATOM 1880 HZ3 LYS 119 2.573 -26.759 11.064 1.00 40.54 ATOM 1881 C LYS 119 -1.007 -25.312 17.174 1.00 53.34 ATOM 1882 O LYS 119 -2.055 -24.672 17.079 1.00 31.24 ATOM 1883 N VAL 120 -0.970 -26.588 17.544 1.00 41.22 ATOM 1884 HN VAL 120 -0.101 -27.047 17.579 1.00 37.30 ATOM 1885 CA VAL 120 -2.185 -27.326 17.869 1.00 42.42 ATOM 1886 HA VAL 120 -2.766 -27.433 16.962 1.00 33.43 ATOM 1887 CB VAL 120 -1.860 -28.730 18.412 1.00 73.04 ATOM 1888 HB VAL 120 -2.784 -29.219 18.692 1.00 71.24 ATOM 1889 CG1 VAL 120 -1.194 -29.577 17.338 1.00 54.01 ATOM 1890 HG11 VAL 120 -0.259 -29.126 17.040 1.00 44.10 ATOM 1891 HG12 VAL 120 -1.846 -29.650 16.479 1.00 0.22 ATOM 1892 HG13 VAL 120 -1.006 -30.569 17.725 1.00 72.34 ATOM 1893 CG2 VAL 120 -0.979 -28.632 19.648 1.00 74.41 ATOM 1894 HG21 VAL 120 -0.553 -29.601 19.878 1.00 15.12 ATOM 1895 HG22 VAL 120 -1.581 -28.311 20.484 1.00 14.42 ATOM 1896 HG23 VAL 120 -0.201 -27.930 19.496 1.00 43.44 ATOM 1897 C VAL 120 -3.024 -26.576 18.898 1.00 70.44 ATOM 1898 O VAL 120 -4.254 -26.639 18.877 1.00 2.12 ATOM 1899 N THR 121 -2.351 -25.866 19.798 1.00 35.31 ATOM 1900 HN THR 121 -1.366 -25.865 19.790 1.00 37.30 ATOM 1901 CA THR 121 -3.035 -25.105 20.836 1.00 4.12 ATOM 1902 HA THR 121 -3.932 -25.640 21.127 1.00 31.12 ATOM 1903 CB THR 121 -2.148 -24.937 22.085 1.00 54.01 ATOM 1904 HB THR 121 -2.627 -24.248 22.772 1.00 25.32 ATOM 1905 OG1 THR 121 -0.871 -24.409 21.711 1.00 24.54 ATOM 1906 HG1 THR 121 -0.937 -23.458 21.597 1.00 51.04 ATOM 1907 CG2 THR 121 -1.964 -26.267 22.801 1.00 53.44 ATOM 1908 HG21 THR 121 -2.554 -26.266 23.705 1.00 10.53 ATOM 1909 HG22 THR 121 -0.937 -26.408 23.052 1.00 72.33 ATOM 1910 HG23 THR 121 -2.285 -27.087 22.173 1.00 4.32 ATOM 1911 C THR 121 -3.444 -23.727 20.328 1.00 24.03 ATOM 1912 O THR 121 -4.390 -23.125 20.834 1.00 53.24 ATOM 1913 N ALA 122 -2.724 -23.234 19.326 1.00 54.44 ATOM 1914 HN ALA 122 -1.951 -23.729 18.996 1.00 37.30 ATOM 1915 CA ALA 122 -3.015 -21.927 18.748 1.00 61.44 ATOM 1916 HA ALA 122 -2.942 -21.185 19.533 1.00 61.55 ATOM 1917 CB ALA 122 -1.987 -21.582 17.680 1.00 21.23 ATOM 1918 HB1 ALA 122 -2.132 -20.561 17.357 1.00 21.34 ATOM 1919 HB2 ALA 122 -2.097 -22.245 16.834 1.00 75.04 ATOM 1920 HB3 ALA 122 -0.994 -21.688 18.091 1.00 14.34 ATOM 1921 C ALA 122 -4.422 -21.887 18.162 1.00 52.11 ATOM 1922 O ALA 122 -5.060 -20.834 18.126 1.00 20.52 ATOM 1923 N ASP 123 -4.900 -23.038 17.703 1.00 34.44 ATOM 1924 HN ASP 123 -4.343 -23.850 17.737 1.00 37.30 ATOM 1925 CA ASP 123 -6.233 -23.134 17.119 1.00 32.43 ATOM 1926 HA ASP 123 -6.373 -22.280 16.464 1.00 31.25 ATOM 1927 CB ASP 123 -6.363 -24.420 16.302 1.00 74.43 ATOM 1928 HB1 ASP 123 -6.655 -25.243 16.943 1.00 37.30 ATOM 1929 HB2 ASP 123 -5.407 -24.651 15.852 1.00 44.03 ATOM 1930 CG ASP 123 -7.380 -24.295 15.184 1.00 62.32 ATOM 1931 OD1 ASP 123 -8.479 -24.873 15.314 1.00 22.33 ATOM 1932 OD2 ASP 123 -7.076 -23.620 14.178 1.00 61.11 ATOM 1933 C ASP 123 -7.306 -23.095 18.203 1.00 23.44 ATOM 1934 O ASP 123 -8.440 -22.687 17.953 1.00 11.33 ATOM 1935 N ILE 124 -6.939 -23.524 19.407 1.00 54.34 ATOM 1936 HN ILE 124 -6.023 -23.832 19.552 1.00 37.30 ATOM 1937 CA ILE 124 -7.870 -23.537 20.528 1.00 32.51 ATOM 1938 HA ILE 124 -8.759 -24.079 20.223 1.00 63.50 ATOM 1939 CB ILE 124 -7.266 -24.251 21.752 1.00 13.43 ATOM 1940 HB ILE 124 -6.402 -23.694 22.084 1.00 71.43 ATOM 1941 CG1 ILE 124 -6.831 -25.669 21.380 1.00 21.40 ATOM 1942 HG11 ILE 124 -6.122 -25.633 20.567 1.00 37.30 ATOM 1943 HG12 ILE 124 -7.694 -26.239 21.068 1.00 71.45 ATOM 1944 CG2 ILE 124 -8.270 -24.281 22.896 1.00 65.44 ATOM 1945 HG21 ILE 124 -7.860 -24.819 23.737 1.00 14.31 ATOM 1946 HG22 ILE 124 -9.177 -24.769 22.573 1.00 30.44 ATOM 1947 HG23 ILE 124 -8.499 -23.277 23.215 1.00 23.51 ATOM 1948 CD1 ILE 124 -6.172 -26.418 22.518 1.00 54.51 ATOM 1949 HD11 ILE 124 -5.718 -27.320 22.135 1.00 64.24 ATOM 1950 HD12 ILE 124 -6.914 -26.680 23.257 1.00 32.11 ATOM 1951 HD13 ILE 124 -5.410 -25.800 22.973 1.00 4.33 ATOM 1952 C ILE 124 -8.273 -22.121 20.926 1.00 64.40 ATOM 1953 O ILE 124 -9.369 -21.897 21.437 1.00 3.23 ATOM 1954 N GLY 125 -7.377 -21.168 20.686 1.00 55.03 ATOM 1955 HN GLY 125 -6.504 -21.388 20.295 1.00 37.30 ATOM 1956 CA GLY 125 -7.658 -19.785 21.023 1.00 12.24 ATOM 1957 HA1 GLY 125 -8.718 -19.585 20.923 1.00 37.30 ATOM 1958 HA2 GLY 125 -7.125 -19.150 20.330 1.00 22.14 ATOM 1959 C GLY 125 -7.225 -19.433 22.433 1.00 52.22 ATOM 1960 O GLY 125 -8.047 -19.386 23.349 1.00 22.44 ATOM 1961 N LEU 126 -5.932 -19.185 22.608 1.00 21.52 ATOM 1962 HN LEU 126 -5.323 -19.230 21.832 1.00 37.30 ATOM 1963 HA LEU 126 -5.746 -19.560 24.636 1.00 37.30 ATOM 1964 CB LEU 126 -3.861 -18.870 23.883 1.00 12.42 ATOM 1965 HB1 LEU 126 -3.493 -18.496 24.833 1.00 37.30 ATOM 1966 HB2 LEU 126 -3.530 -18.199 23.102 1.00 41.21 ATOM 1967 CG LEU 126 -3.224 -20.237 23.636 1.00 71.52 ATOM 1968 HG LEU 126 -3.489 -20.576 22.645 1.00 44.44 ATOM 1969 CD1 LEU 126 -1.708 -20.141 23.709 1.00 31.44 ATOM 1970 HD11 LEU 126 -1.354 -19.434 22.972 1.00 35.31 ATOM 1971 HD12 LEU 126 -1.273 -21.110 23.508 1.00 22.30 ATOM 1972 HD13 LEU 126 -1.409 -19.811 24.695 1.00 40.33 ATOM 1973 CD2 LEU 126 -3.745 -21.258 24.638 1.00 40.53 ATOM 1974 HD21 LEU 126 -4.794 -21.438 24.463 1.00 73.23 ATOM 1975 HD22 LEU 126 -3.606 -20.890 25.645 1.00 14.10 ATOM 1976 HD23 LEU 126 -3.206 -22.190 24.522 1.00 71.43 ATOM 1977 CA LEU 126 -5.390 -18.837 23.917 1.00 31.31 ATOM 1978 C LEU 126 -5.871 -17.458 24.356 1.00 33.13 ATOM 1979 OT1 LEU 126 -5.665 -16.486 23.596 1.00 37.30 ATOM 1980 OT2 LEU 126 -6.451 -17.356 25.458 1.00 37.30 ATOM 1981 OH2 TIP3 1 -4.659 -43.567 10.948 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -5.601 -43.509 11.109 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -4.383 -42.661 10.811 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.562 -45.319 14.559 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.422 -45.910 13.820 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.394 -44.446 14.203 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.362 -43.245 11.533 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.603 -42.583 12.181 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.560 -44.079 11.958 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -10.028 -43.064 15.012 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.941 -42.238 15.487 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.892 -43.394 15.261 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -3.777 -47.155 12.474 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -3.135 -46.698 11.931 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.607 -47.042 12.012 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -9.407 -46.104 14.925 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -9.753 -46.485 15.731 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.607 -45.170 14.996 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -7.157 -43.642 14.875 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.058 -43.459 14.607 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -7.123 -43.383 15.796 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.462 -45.597 16.079 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -2.314 -45.359 15.712 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -0.872 -45.614 15.326 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -7.941 -45.564 12.454 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -8.367 -45.791 13.280 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.360 -46.302 12.271 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.012 -40.758 10.890 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -4.168 -40.080 10.233 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -3.080 -40.686 11.093 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -6.001 -46.391 14.888 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -5.256 -45.803 14.768 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -6.758 -45.809 14.951 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -8.592 -47.597 18.144 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.639 -47.513 18.116 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.752 -48.308 18.763 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -5.546 -48.300 16.787 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -5.827 -47.591 16.209 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -4.603 -48.373 16.636 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -1.296 -40.108 11.119 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -1.318 -39.923 12.058 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -0.606 -39.539 10.778 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -1.733 -40.541 14.041 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -2.220 -41.276 13.670 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -1.184 -40.934 14.719 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -1.828 -45.656 10.965 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -0.994 -46.034 10.684 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -1.716 -44.713 10.846 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -3.341 -42.778 13.272 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -3.989 -42.453 13.897 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -3.859 -43.218 12.597 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -2.944 -47.950 16.219 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -2.361 -48.684 16.410 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -2.380 -47.178 16.265 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -9.908 -40.715 16.452 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -9.723 -41.049 17.330 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -9.061 -40.406 16.130 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.563 -39.430 15.696 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -6.886 -40.062 15.456 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.241 -39.028 16.504 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -7.312 -40.492 12.691 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.216 -40.327 12.425 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -6.883 -39.639 12.625 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -4.707 -38.922 12.986 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -4.889 -38.006 12.775 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -4.531 -39.332 12.139 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -5.171 -45.407 27.456 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -5.612 -46.127 27.906 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -5.184 -44.686 28.086 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.060 -40.302 27.668 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -7.440 -40.979 27.395 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -8.268 -40.520 28.576 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.013 -45.000 24.778 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.309 -45.322 23.927 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -8.337 -44.100 24.820 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.659 -43.567 29.804 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -5.601 -43.509 29.965 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.383 -42.661 29.667 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.407 -41.786 26.429 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -5.982 -42.493 25.944 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -6.090 -40.985 26.012 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -5.248 -43.885 24.938 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.505 -44.575 24.326 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -5.177 -44.328 25.783 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -3.562 -45.319 33.415 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -3.422 -45.910 32.676 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -3.394 -44.446 33.059 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.720 -48.979 31.481 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -2.372 -48.284 31.570 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.255 -48.769 30.671 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.683 -48.147 24.139 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.415 -47.919 24.712 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.236 -48.861 24.594 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.362 -43.245 30.389 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -7.603 -42.583 31.037 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.560 -44.079 30.814 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -9.086 -42.248 25.259 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -8.612 -41.953 26.037 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -9.649 -41.510 25.026 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -1.007 -42.638 34.992 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -1.056 -43.593 34.955 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -1.833 -42.370 35.394 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -9.614 -39.292 23.674 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -9.689 -39.413 22.728 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -9.581 -38.342 23.793 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -5.335 -47.952 19.454 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -5.293 -48.175 18.524 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.486 -47.554 19.644 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.801 -44.829 21.569 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -9.096 -44.003 21.951 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.504 -45.449 21.765 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -7.157 -43.642 33.731 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.058 -43.459 33.463 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.123 -43.383 34.652 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.462 -45.597 34.935 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -2.314 -45.359 34.568 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -0.872 -45.614 34.182 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.282 -41.012 33.779 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.884 -41.567 33.284 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.001 -40.345 33.153 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.872 -45.962 22.610 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.149 -46.690 23.166 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.945 -45.843 22.816 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -11.647 -43.523 18.831 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -11.408 -44.271 18.283 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -11.916 -43.911 19.663 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -9.972 -42.255 22.036 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -10.789 -41.758 22.089 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.443 -41.780 21.396 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.012 -40.758 29.746 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.168 -40.080 29.089 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -3.080 -40.686 29.949 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -9.609 -41.660 18.969 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -10.253 -42.291 19.291 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -8.847 -42.191 18.737 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.124 -42.788 36.323 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -7.475 -43.644 36.566 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.398 -42.645 36.930 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -8.698 -44.886 18.796 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -8.966 -44.706 19.697 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -8.904 -45.812 18.665 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -2.440 -47.363 19.074 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -2.713 -47.788 18.261 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -2.400 -46.432 18.857 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -11.932 -39.027 20.630 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -10.999 -38.869 20.774 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -12.196 -38.352 20.005 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -1.733 -40.541 32.897 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.220 -41.276 32.526 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.184 -40.934 33.575 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -3.282 -44.751 37.535 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -4.148 -44.856 37.929 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.906 -43.992 37.982 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -1.981 -46.494 23.049 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -1.131 -46.073 23.177 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -1.976 -47.234 23.657 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.828 -45.656 29.821 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -0.994 -46.034 29.540 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.716 -44.713 29.702 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -3.341 -42.778 32.128 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -3.989 -42.453 32.753 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -3.859 -43.218 31.453 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -1.319 -48.540 21.264 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -1.840 -48.183 20.545 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -1.352 -47.865 21.942 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -9.908 -40.715 35.308 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.723 -41.049 36.186 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -9.061 -40.406 34.986 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -7.563 -39.430 34.552 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -6.886 -40.062 34.312 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -7.241 -39.028 35.360 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -9.639 -39.370 30.602 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -10.096 -38.841 29.948 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -9.476 -38.767 31.327 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -7.312 -40.492 31.547 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -8.216 -40.327 31.281 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -6.883 -39.639 31.481 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -4.707 -38.922 31.842 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -4.889 -38.006 31.631 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -4.531 -39.332 30.995 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -9.287 -39.801 20.875 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -8.421 -39.435 20.697 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -9.534 -40.241 20.062 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -6.407 -41.786 45.285 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -5.982 -42.493 44.800 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -6.090 -40.985 44.868 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -5.248 -43.885 43.794 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -5.505 -44.575 43.182 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -5.177 -44.328 44.639 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -9.614 -39.292 42.530 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -9.689 -39.413 41.584 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -9.581 -38.342 42.649 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -6.843 -40.212 42.282 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -7.778 -40.112 42.461 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -6.563 -40.921 42.860 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -8.801 -44.829 40.425 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -9.096 -44.003 40.807 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -9.504 -45.449 40.621 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.738 -44.635 39.240 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.385 -45.015 40.044 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -6.687 -44.728 39.326 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -4.872 -45.962 41.466 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.149 -46.690 42.022 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -3.945 -45.843 41.672 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.972 -42.255 40.892 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -10.789 -41.758 40.945 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -9.443 -41.780 40.252 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -9.609 -41.660 37.825 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -10.253 -42.291 38.147 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.847 -42.191 37.593 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.698 -44.886 37.652 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -8.966 -44.706 38.553 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -8.904 -45.812 37.521 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.440 -47.363 37.930 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -2.713 -47.788 37.117 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.400 -46.432 37.713 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -1.296 -40.108 48.831 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -1.318 -39.923 49.770 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -0.606 -39.539 48.490 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -1.981 -46.494 41.905 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.131 -46.073 42.033 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -1.976 -47.234 42.513 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.319 -48.540 40.120 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -1.840 -48.183 39.401 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.352 -47.865 40.798 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.558 -40.018 44.403 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -3.905 -40.365 43.795 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.047 -39.529 45.049 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -9.287 -39.801 39.731 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -8.421 -39.435 39.553 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -9.534 -40.241 38.918 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -8.877 -29.490 10.298 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -8.915 -30.136 11.003 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -9.200 -29.956 9.527 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.171 -26.551 8.600 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.612 -27.271 9.050 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -5.184 -25.830 9.230 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -8.060 -21.446 8.812 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -7.440 -22.123 8.539 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -8.268 -21.664 9.720 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -10.488 -27.057 10.704 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -10.184 -27.743 10.110 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.766 -26.939 11.322 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -1.825 -35.456 11.565 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -1.776 -34.846 12.301 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -1.399 -34.995 10.842 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -1.433 -33.978 13.801 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.122 -33.320 13.706 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -1.418 -34.175 14.738 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -12.813 -27.968 12.666 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -13.553 -27.370 12.769 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -12.099 -27.414 12.350 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -14.405 -26.004 13.453 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -14.411 -25.125 13.075 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -15.259 -26.087 13.878 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -4.659 -24.711 10.948 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -5.601 -24.653 11.109 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -4.383 -23.805 10.811 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -4.359 -36.425 12.365 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -5.095 -35.814 12.327 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -3.675 -36.010 11.839 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.407 -22.930 7.573 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.982 -23.637 7.088 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.090 -22.129 7.156 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.720 -30.123 12.625 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -2.372 -29.428 12.714 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.255 -29.913 11.815 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.786 -31.117 14.351 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.706 -30.354 14.923 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -6.387 -30.838 13.660 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -12.671 -25.233 9.847 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -12.766 -25.811 9.090 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -11.942 -25.604 10.343 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -12.791 -25.493 15.516 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -13.103 -24.711 15.972 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -13.441 -25.646 14.830 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -14.552 -23.421 16.280 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -14.544 -23.557 15.332 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -15.468 -23.539 16.532 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -9.424 -37.713 13.983 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -9.004 -38.128 14.736 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -10.357 -37.891 14.100 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -6.098 -33.957 14.837 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -6.612 -34.083 15.634 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.253 -33.045 14.592 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -9.361 -31.657 16.921 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -9.924 -32.361 17.241 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.535 -31.777 17.388 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -8.195 -30.748 12.918 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -7.871 -31.379 12.275 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -8.635 -31.283 13.579 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -3.777 -28.299 12.474 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -3.135 -27.842 11.931 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -4.607 -28.186 12.012 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.777 -30.159 16.985 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -12.073 -30.325 16.090 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -10.846 -30.379 16.975 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -5.970 -28.947 10.729 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -6.898 -29.179 10.702 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.519 -29.724 10.399 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -11.485 -22.807 12.753 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -11.122 -21.952 12.520 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.953 -23.099 13.494 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.425 -35.182 13.220 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.727 -35.108 13.870 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.806 -36.046 13.375 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -4.012 -21.902 10.890 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -4.168 -21.224 10.233 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -3.080 -21.830 11.093 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -13.701 -22.312 18.738 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -12.933 -22.771 19.079 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -13.722 -22.538 17.808 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.736 -27.451 17.505 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.064 -27.180 16.647 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -11.584 -28.392 17.417 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -8.592 -28.741 18.144 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -7.639 -28.657 18.116 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -8.752 -29.452 18.763 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -11.278 -30.048 13.681 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -10.527 -30.204 13.108 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.617 -29.196 13.405 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -10.790 -33.709 17.436 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -11.026 -33.929 18.338 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -11.573 -33.916 16.927 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -8.074 -34.582 16.512 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -9.022 -34.550 16.644 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.762 -35.207 17.166 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -11.479 -37.054 18.598 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -11.610 -37.530 17.777 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -12.078 -36.310 18.542 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -1.296 -21.252 11.119 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.318 -21.067 12.058 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -0.606 -20.683 10.778 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -1.828 -26.800 10.965 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -0.994 -27.178 10.684 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -1.716 -25.857 10.846 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -3.478 -32.900 10.478 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -2.545 -32.688 10.444 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -3.713 -32.798 11.401 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.449 -32.163 13.254 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -4.292 -31.895 13.620 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -3.006 -31.341 13.043 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -14.219 -23.258 13.493 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -14.644 -22.449 13.210 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -13.314 -23.173 13.191 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -14.350 -20.402 12.570 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -15.215 -20.330 12.974 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -14.405 -19.855 11.786 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.639 -20.514 11.746 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.096 -19.985 11.092 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.476 -19.911 12.471 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -4.707 -20.066 12.986 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -4.889 -19.150 12.775 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -4.531 -20.476 12.139 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -12.724 -22.199 9.954 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -12.511 -23.087 9.667 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -12.659 -22.233 10.909 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -2.346 -37.289 7.545 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -1.734 -37.803 7.018 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -1.963 -36.411 7.568 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -8.877 -29.490 29.154 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -8.915 -30.136 29.859 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.200 -29.956 28.383 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -8.060 -21.446 27.668 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -7.440 -22.123 27.395 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -8.268 -21.664 28.576 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -10.488 -27.057 29.560 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -10.184 -27.743 28.966 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.766 -26.939 30.178 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -7.347 -32.663 29.888 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -7.204 -33.610 29.908 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -7.453 -32.456 28.959 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -14.192 -34.562 27.160 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -14.149 -33.702 26.742 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -14.650 -35.114 26.527 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.416 -30.615 27.138 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -11.800 -31.141 27.647 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -13.002 -31.255 26.734 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -12.813 -27.968 31.522 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.553 -27.370 31.625 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -12.099 -27.414 31.206 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -11.356 -38.338 28.687 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -11.473 -39.287 28.633 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -12.211 -38.006 28.960 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -9.089 -29.501 23.187 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -9.801 -28.966 22.836 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -8.398 -29.445 22.527 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.035 -31.043 20.226 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -8.334 -31.021 20.877 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -8.733 -31.671 19.570 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -14.038 -28.661 26.022 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -14.368 -29.031 25.203 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -13.450 -29.331 26.368 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -12.671 -25.233 28.703 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -12.766 -25.811 27.946 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.942 -25.604 29.199 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.791 -25.493 34.372 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -13.103 -24.711 34.828 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -13.441 -25.646 33.686 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -10.028 -24.208 33.868 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -9.941 -23.382 34.343 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -10.892 -24.538 34.117 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -15.960 -21.647 25.455 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -15.808 -21.995 26.334 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -16.811 -22.003 25.200 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -9.424 -37.713 32.839 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.004 -38.128 33.592 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -10.357 -37.891 32.956 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -9.762 -35.220 20.124 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -10.016 -35.201 21.047 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -10.019 -36.092 19.823 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -13.999 -32.248 25.472 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -14.892 -32.589 25.413 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -13.548 -32.625 24.716 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -9.361 -31.657 35.777 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -9.924 -32.361 36.097 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -8.535 -31.777 36.244 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.880 -34.775 19.225 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.311 -35.220 19.955 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -13.598 -34.403 18.713 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -11.417 -34.821 26.558 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -12.328 -34.764 26.847 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -10.912 -34.881 27.369 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.936 -33.192 23.041 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -12.004 -33.063 23.219 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -13.151 -32.522 22.392 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -7.012 -35.586 29.822 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -7.689 -35.455 30.486 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -7.498 -35.741 29.012 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -3.725 -19.914 36.099 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -3.525 -19.490 35.264 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -3.069 -19.571 36.706 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -10.097 -32.033 28.445 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.533 -32.580 27.898 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -10.245 -32.555 29.234 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.471 -33.645 30.859 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -12.306 -33.191 30.969 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.947 -33.369 31.611 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.927 -27.432 22.544 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -11.671 -27.939 22.221 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -11.061 -27.383 23.490 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.407 -27.248 33.781 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -9.753 -27.629 34.587 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.607 -26.314 33.852 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -11.777 -30.159 35.841 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.073 -30.325 34.946 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -10.846 -30.379 35.831 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -13.427 -24.619 25.718 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -12.900 -23.846 25.517 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -14.307 -24.394 25.416 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -12.000 -26.956 25.294 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -12.241 -26.031 25.336 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -12.740 -27.415 25.690 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -11.485 -22.807 31.609 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -11.122 -21.952 31.376 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -10.953 -23.099 32.350 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -13.316 -21.934 24.839 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -14.266 -21.829 24.891 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -12.965 -21.114 25.184 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -5.282 -22.156 33.779 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -5.884 -22.711 33.284 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -5.001 -21.489 33.153 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -12.710 -25.097 21.287 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -12.563 -25.617 22.077 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -12.713 -24.190 21.593 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -8.425 -35.182 32.076 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -7.727 -35.108 32.726 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -8.806 -36.046 32.231 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -10.441 -33.802 24.008 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -9.629 -33.298 24.054 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.686 -33.947 24.922 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -9.905 -32.816 33.193 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -9.786 -32.242 33.950 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -9.250 -33.504 33.308 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -15.641 -25.230 20.694 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -15.049 -24.531 20.970 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -15.182 -25.663 19.975 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.124 -23.932 36.323 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -7.475 -24.788 36.566 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -6.398 -23.789 36.930 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -14.050 -27.077 19.060 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -13.986 -27.871 19.591 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -13.397 -27.196 18.371 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -11.736 -27.451 36.361 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -12.064 -27.180 35.503 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -11.584 -28.392 36.273 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.901 -29.105 21.366 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -13.360 -29.589 22.052 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -12.646 -29.773 20.730 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -13.612 -31.212 33.722 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -14.230 -30.537 34.003 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -13.268 -30.891 32.889 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.830 -30.862 19.629 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -12.010 -31.016 18.701 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -10.879 -30.754 19.673 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -8.592 -28.741 37.000 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -7.639 -28.657 36.972 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -8.752 -29.452 37.619 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -11.278 -30.048 32.537 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -10.527 -30.204 31.964 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -11.617 -29.196 32.261 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -10.790 -33.709 36.292 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -11.026 -33.929 37.194 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -11.573 -33.916 35.783 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -11.479 -37.054 37.454 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -11.610 -37.530 36.633 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -12.078 -36.310 37.398 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.908 -21.859 35.308 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -9.723 -22.193 36.186 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.061 -21.550 34.986 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -7.563 -20.574 34.552 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -6.886 -21.206 34.312 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.241 -20.172 35.360 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.639 -20.514 30.602 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -10.096 -19.985 29.948 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -9.476 -19.911 31.327 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -7.312 -21.636 31.547 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -8.216 -21.471 31.281 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -6.883 -20.783 31.481 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -4.707 -20.066 31.842 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -4.889 -19.150 31.631 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -4.531 -20.476 30.995 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -12.724 -22.199 28.810 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -12.511 -23.087 28.523 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -12.659 -22.233 29.765 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.215 -36.535 27.955 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.890 -37.164 28.210 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -8.651 -37.019 27.352 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -12.309 -37.974 25.590 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.435 -37.586 25.560 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.445 -38.189 26.513 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -11.165 -35.894 22.480 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -10.987 -36.540 23.163 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -11.219 -35.060 22.947 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -16.333 -21.235 19.503 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -16.601 -20.948 20.376 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -15.562 -21.781 19.655 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -3.360 -22.631 35.705 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.142 -22.817 35.185 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -3.432 -21.702 35.922 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -9.035 -31.043 39.082 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.334 -31.021 39.733 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.733 -31.671 38.426 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -6.812 -30.129 40.680 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -6.233 -29.979 41.427 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -6.398 -29.658 39.957 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -1.924 -24.013 38.870 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -1.851 -23.074 39.040 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -1.019 -24.318 38.813 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -5.335 -29.096 38.310 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -5.293 -29.319 37.380 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.486 -28.698 38.500 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.762 -35.220 38.980 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -10.016 -35.201 39.903 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -10.019 -36.092 38.679 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -7.029 -34.618 39.599 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -7.967 -34.506 39.448 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -6.732 -33.761 39.905 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.311 -32.751 41.260 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -5.419 -32.888 41.579 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -6.254 -31.960 40.723 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -1.426 -32.541 40.954 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -1.980 -32.937 40.282 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -1.325 -31.631 40.677 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -3.130 -23.755 41.419 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -3.503 -24.581 41.729 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -2.853 -23.938 40.522 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -5.738 -25.779 39.240 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -5.385 -26.159 40.044 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -6.687 -25.872 39.326 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -1.234 -21.299 39.441 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -0.491 -20.713 39.301 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -1.929 -20.731 39.774 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -4.872 -27.106 41.466 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -5.149 -27.834 42.022 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -3.945 -26.987 41.672 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -7.641 -35.530 42.029 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.421 -35.058 41.226 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -7.083 -35.135 42.700 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -9.609 -22.804 37.825 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.253 -23.435 38.147 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -8.847 -23.335 37.593 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -5.005 -22.987 38.059 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -4.722 -23.781 38.512 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -4.265 -22.754 37.498 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -8.698 -26.030 37.652 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.966 -25.850 38.553 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.904 -26.956 37.521 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -11.830 -30.862 38.485 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -12.010 -31.016 37.557 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -10.879 -30.754 38.529 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -1.981 -27.638 41.905 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -1.131 -27.217 42.033 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -1.976 -28.378 42.513 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -1.587 -29.585 43.729 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -2.313 -30.064 44.127 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -1.006 -29.379 44.461 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -1.319 -29.684 40.120 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -1.840 -29.327 39.401 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.352 -29.009 40.798 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -4.090 -33.481 42.754 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.810 -34.388 42.879 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.331 -33.047 42.365 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -3.476 -36.218 42.803 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -3.294 -36.667 43.628 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -4.076 -36.803 42.339 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -2.346 -37.289 45.257 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -1.734 -37.803 44.730 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -1.963 -36.411 45.280 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -1.825 -16.600 11.565 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -1.776 -15.990 12.301 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -1.399 -16.139 10.842 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -1.433 -15.122 13.801 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -2.122 -14.464 13.706 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -1.418 -15.319 14.738 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.359 -17.569 12.365 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -5.095 -16.958 12.327 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.675 -17.154 11.839 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -11.356 -19.482 9.831 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.473 -20.431 9.777 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -12.211 -19.150 10.104 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.855 -13.433 16.616 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.262 -12.952 15.896 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.814 -14.338 16.309 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.424 -18.857 13.983 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -9.004 -19.272 14.736 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -10.357 -19.035 14.100 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -6.098 -15.101 14.837 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -6.612 -15.227 15.634 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -6.253 -14.189 14.592 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -7.012 -16.730 10.966 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -7.689 -16.599 11.630 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -7.498 -16.885 10.156 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -8.425 -16.326 13.220 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -7.727 -16.252 13.870 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -8.806 -17.190 13.375 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -3.701 -16.053 15.172 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.617 -15.790 15.084 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -3.365 -16.056 14.275 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -6.862 -13.377 18.709 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -6.670 -14.308 18.598 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -6.005 -12.952 18.699 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -12.054 -19.175 13.873 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -12.152 -18.228 13.767 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -12.797 -19.547 13.397 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -10.790 -14.853 17.436 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -11.026 -15.073 18.338 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -11.573 -15.060 16.927 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -8.074 -15.726 16.512 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -9.022 -15.694 16.644 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -7.762 -16.351 17.166 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -11.832 -19.881 16.544 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -11.120 -20.521 16.530 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.933 -19.614 15.630 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -11.479 -18.198 18.598 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -11.610 -18.674 17.777 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -12.078 -17.454 18.542 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -1.646 -17.218 16.957 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -2.563 -16.947 16.921 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -1.523 -17.753 16.173 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.073 -19.572 9.211 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -3.469 -19.024 8.710 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -4.942 -19.252 8.971 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -6.752 -19.088 8.383 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -6.676 -18.993 7.434 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -7.028 -19.996 8.512 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -14.958 -19.180 17.974 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -14.059 -19.454 17.789 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -15.344 -19.923 18.438 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -7.810 -9.889 25.735 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -7.721 -8.945 25.603 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -8.449 -10.164 25.077 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -7.347 -13.807 29.888 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -7.204 -14.754 29.908 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -7.453 -13.600 28.959 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -1.433 -15.122 32.657 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.122 -14.464 32.562 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -1.418 -15.319 33.594 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -4.359 -17.569 31.221 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -5.095 -16.958 31.183 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -3.675 -17.154 30.695 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -11.356 -19.482 28.687 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -11.473 -20.431 28.633 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -12.211 -19.150 28.960 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -9.089 -10.645 23.187 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.801 -10.110 22.836 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.398 -10.589 22.527 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -9.035 -12.187 20.226 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.334 -12.165 20.877 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -8.733 -12.815 19.570 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -5.683 -10.435 24.139 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -6.415 -10.207 24.712 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -5.236 -11.149 24.594 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -6.812 -11.273 21.824 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -6.233 -11.123 22.571 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -6.398 -10.802 21.101 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -3.855 -13.433 35.472 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -4.262 -12.952 34.752 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -3.814 -14.338 35.165 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.098 -15.101 33.693 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -6.612 -15.227 34.490 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -6.253 -14.189 33.448 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.335 -10.240 19.454 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -5.293 -10.463 18.524 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -4.486 -9.842 19.644 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -9.762 -16.364 20.124 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -10.016 -16.345 21.047 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -10.019 -17.236 19.823 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -8.463 -12.976 24.289 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -8.872 -12.161 23.997 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -7.743 -13.116 23.674 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.459 -13.530 27.103 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -7.654 -12.925 26.388 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -7.277 -14.364 26.668 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -12.880 -15.919 19.225 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -13.311 -16.364 19.955 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -13.598 -15.547 18.713 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -11.417 -15.965 26.558 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -12.328 -15.908 26.847 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -10.912 -16.025 27.369 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -12.936 -14.336 23.041 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -12.004 -14.207 23.219 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -13.151 -13.666 22.392 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -7.012 -16.730 29.822 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -7.689 -16.599 30.486 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -7.498 -16.885 29.012 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -10.097 -13.177 28.445 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -9.533 -13.724 27.898 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -10.245 -13.699 29.234 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -15.095 -17.041 24.863 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -15.412 -17.943 24.828 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -14.314 -17.039 24.311 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -11.471 -14.789 30.859 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -12.306 -14.335 30.969 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.947 -14.513 31.611 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -1.426 -13.685 22.098 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -1.980 -14.081 21.426 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -1.325 -12.775 21.821 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -8.425 -16.326 32.076 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.727 -16.252 32.726 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -8.806 -17.190 32.231 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -10.441 -14.946 24.008 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.629 -14.442 24.054 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -10.686 -15.091 24.922 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -13.900 -16.802 21.634 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -13.983 -15.913 21.980 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -13.010 -17.067 21.865 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.701 -16.053 34.028 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.617 -15.790 33.940 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -3.365 -16.056 33.131 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -5.099 -12.302 28.124 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -5.896 -12.717 27.795 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -4.654 -12.993 28.615 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.587 -10.729 24.873 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -2.313 -11.208 25.271 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -1.006 -10.523 25.605 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.319 -10.828 21.264 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.840 -10.471 20.545 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -1.352 -10.153 21.942 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -2.970 -13.588 19.815 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -2.873 -12.921 19.135 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -3.110 -14.404 19.333 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.800 -12.208 25.436 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.950 -13.153 25.416 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -4.154 -11.927 26.280 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -3.722 -16.180 18.932 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -3.112 -16.552 19.569 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -4.559 -16.602 19.128 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -3.478 -14.044 29.334 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.545 -13.832 29.300 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -3.713 -13.942 30.257 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -3.449 -13.307 32.110 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -4.292 -13.039 32.476 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -3.006 -12.485 31.899 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -1.646 -17.218 35.813 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -2.563 -16.947 35.777 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -1.523 -17.753 35.029 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -1.610 -17.295 20.475 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -1.197 -18.016 19.999 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -0.928 -16.625 20.533 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -12.309 -19.118 25.590 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -11.435 -18.730 25.560 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -12.445 -19.333 26.513 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -6.536 -19.848 37.012 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -6.460 -20.274 37.866 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -5.643 -19.834 36.670 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.114 -19.523 40.493 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -4.013 -19.384 40.788 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -2.862 -18.692 40.091 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -3.722 -16.180 37.788 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -3.112 -16.552 38.425 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -4.559 -16.602 37.984 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -1.610 -17.295 39.331 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -1.197 -18.016 38.855 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -0.928 -16.625 39.389 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 10.796 -40.302 8.812 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 11.416 -40.979 8.539 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 10.588 -40.520 9.720 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 14.197 -43.567 10.948 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 13.255 -43.509 11.109 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 14.473 -42.661 10.811 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 15.294 -45.319 14.559 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 15.434 -45.910 13.820 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 15.462 -44.446 14.203 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 11.494 -43.245 11.533 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 11.253 -42.583 12.181 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 11.296 -44.079 11.958 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 6.065 -44.349 15.516 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 5.753 -43.567 15.972 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 5.415 -44.502 14.830 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 4.304 -42.277 16.280 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 4.312 -42.413 15.332 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 3.388 -42.395 16.532 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -0.099 -46.084 13.570 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -0.600 -46.112 12.755 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.093 -46.990 13.880 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 8.828 -43.064 15.012 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 8.915 -42.238 15.487 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 7.964 -43.394 15.261 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 2.896 -40.503 6.599 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 3.048 -40.851 7.478 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 2.045 -40.859 6.344 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 2.150 -44.761 14.613 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 2.367 -45.122 15.473 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 1.295 -45.135 14.403 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 2.729 -46.296 16.851 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 3.462 -46.042 17.412 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 1.949 -46.092 17.366 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 9.449 -46.104 14.925 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 9.103 -46.485 15.731 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 9.249 -45.170 14.996 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 0.062 -48.532 14.772 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 0.285 -48.950 15.604 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -0.540 -49.145 14.350 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 11.699 -43.642 14.875 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 10.798 -43.459 14.607 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 11.733 -43.383 15.796 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 17.394 -45.597 16.079 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 16.542 -45.359 15.712 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 17.984 -45.614 15.326 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 7.371 -41.663 12.753 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 7.734 -40.808 12.520 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 7.903 -41.955 13.494 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 10.915 -45.564 12.454 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 10.489 -45.791 13.280 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 11.496 -46.302 12.271 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 1.347 -41.974 12.765 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 1.564 -42.906 12.734 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 1.594 -41.700 13.649 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 14.844 -40.758 10.890 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 14.688 -40.080 10.233 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 15.776 -40.686 11.093 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 0.465 -46.277 18.072 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 0.609 -47.179 17.786 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.308 -45.991 17.584 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 7.120 -46.307 17.505 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 6.792 -46.036 16.647 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 7.272 -47.248 17.417 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.855 -46.391 14.888 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 13.600 -45.803 14.768 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 12.098 -45.809 14.951 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 1.297 -49.077 17.492 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 1.705 -49.934 17.371 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 1.037 -49.062 18.413 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 10.264 -47.597 18.144 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 11.217 -47.513 18.116 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 10.104 -48.308 18.763 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 11.994 -51.089 18.709 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 12.186 -52.020 18.598 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 12.851 -50.664 18.699 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 13.310 -48.300 16.787 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 13.029 -47.591 16.209 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 14.253 -48.373 16.636 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -0.859 -38.998 6.334 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -1.506 -39.460 5.801 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -0.504 -39.670 6.917 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.011 -40.917 8.139 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -0.323 -41.798 8.311 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 0.233 -40.572 9.003 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 17.560 -40.108 11.119 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 17.538 -39.923 12.058 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 18.250 -39.539 10.778 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 17.028 -45.656 10.965 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 17.862 -46.034 10.684 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 17.140 -44.713 10.846 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 15.515 -42.778 13.272 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 14.867 -42.453 13.897 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 14.997 -43.218 12.597 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 15.912 -47.950 16.219 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 16.495 -48.684 16.410 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 16.476 -47.178 16.265 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 1.683 -43.089 17.234 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 0.862 -42.914 16.774 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 1.431 -43.162 18.155 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 4.637 -42.114 13.493 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 4.212 -41.305 13.210 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 5.542 -42.029 13.191 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 4.506 -39.258 12.570 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 3.641 -39.186 12.974 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 4.451 -38.711 11.786 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 9.217 -39.370 11.746 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 8.760 -38.841 11.092 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 9.380 -38.767 12.471 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 11.544 -40.492 12.691 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 10.640 -40.327 12.425 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 11.973 -39.639 12.625 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 1.454 -40.235 10.451 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 1.435 -40.660 11.308 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 2.259 -40.553 10.042 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 3.595 -41.525 9.106 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 3.376 -42.441 9.275 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 4.419 -41.385 9.572 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 6.132 -41.055 9.954 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 6.345 -41.943 9.667 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 6.197 -41.089 10.909 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 11.046 -47.601 25.735 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 11.135 -46.657 25.603 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 10.407 -47.876 25.077 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 2.347 -48.731 30.747 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 2.389 -49.357 31.471 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 3.050 -48.108 30.929 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 0.591 -48.459 26.801 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 0.805 -49.229 27.328 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 1.329 -48.370 26.198 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 11.509 -51.519 29.888 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 11.652 -52.466 29.908 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 11.403 -51.312 28.959 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 6.440 -49.471 27.138 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 7.056 -49.997 27.647 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 5.854 -50.111 26.734 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 17.423 -52.834 32.657 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 16.734 -52.176 32.562 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 17.438 -53.031 33.594 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 10.843 -45.000 24.778 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 10.547 -45.322 23.927 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 10.519 -44.100 24.820 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 0.572 -45.189 23.091 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 0.300 -44.960 22.202 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 0.617 -44.351 23.551 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.767 -48.357 23.187 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 9.055 -47.822 22.836 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 10.458 -48.301 22.527 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 9.821 -49.899 20.226 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 10.522 -49.877 20.877 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 10.123 -50.527 19.570 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 17.136 -48.979 31.481 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 16.484 -48.284 31.570 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 17.601 -48.769 30.671 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 13.173 -48.147 24.139 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 12.441 -47.919 24.712 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 13.620 -48.861 24.594 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 13.070 -49.973 33.207 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 13.150 -49.210 33.779 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 12.469 -49.694 32.516 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 4.818 -47.517 26.022 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 4.488 -47.887 25.203 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 5.406 -48.187 26.368 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 12.044 -48.985 21.824 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 12.623 -48.835 22.571 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 12.458 -48.514 21.101 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 2.985 -48.151 33.601 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 3.055 -47.500 34.299 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 2.094 -48.048 33.266 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 3.808 -48.447 23.611 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 3.516 -47.679 23.120 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 3.134 -49.107 23.448 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.099 -46.084 32.426 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.600 -46.112 31.611 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.093 -46.990 32.736 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 15.001 -51.145 35.472 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 14.594 -50.664 34.752 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 15.042 -52.050 35.165 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 12.758 -52.813 33.693 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 12.244 -52.939 34.490 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 12.603 -51.901 33.448 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 13.521 -47.952 19.454 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 13.563 -48.175 18.524 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 14.370 -47.554 19.644 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 4.860 -51.325 30.560 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 4.218 -51.366 31.269 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 4.897 -50.399 30.322 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 4.857 -51.104 25.472 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 3.964 -51.445 25.413 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 5.308 -51.481 24.716 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 10.393 -50.688 24.289 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 9.984 -49.873 23.997 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 11.113 -50.828 23.674 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 9.495 -50.513 35.777 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 8.932 -51.217 36.097 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 10.321 -50.633 36.244 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 11.397 -51.242 27.103 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 11.202 -50.637 26.388 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 11.579 -52.076 26.668 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 2.610 -51.005 32.427 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 2.572 -50.605 33.295 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 2.119 -51.822 32.517 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 10.661 -49.604 31.774 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 10.985 -50.235 31.131 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 10.221 -50.139 32.435 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 7.439 -53.677 26.558 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 6.528 -53.620 26.847 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 7.944 -53.737 27.369 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 2.729 -46.296 35.707 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 3.462 -46.042 36.268 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 1.949 -46.092 36.222 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 8.759 -50.889 28.445 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 9.323 -51.436 27.898 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 8.611 -51.411 29.234 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 7.385 -52.501 30.859 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 6.550 -52.047 30.969 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 7.909 -52.225 31.611 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 7.929 -46.288 22.544 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 7.185 -46.795 22.221 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 7.795 -46.239 23.490 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 3.054 -46.993 28.313 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 3.799 -46.995 27.712 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 3.132 -47.817 28.795 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 0.062 -48.532 33.628 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 0.285 -48.950 34.460 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -0.540 -49.145 33.206 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 7.079 -49.015 35.841 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.783 -49.181 34.946 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 8.010 -49.235 35.831 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 5.429 -43.475 25.718 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 5.956 -42.702 25.517 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 4.549 -43.250 25.416 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 1.184 -48.613 20.305 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 1.800 -47.986 20.684 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 0.322 -48.297 20.576 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.146 -43.953 21.287 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.293 -44.473 22.077 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.143 -43.046 21.593 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 2.599 -46.700 21.797 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 1.913 -46.348 22.364 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 3.122 -45.937 21.551 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 8.951 -51.672 33.193 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 9.070 -51.098 33.950 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.606 -52.360 33.308 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 15.155 -53.765 34.028 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 14.239 -53.502 33.940 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 15.491 -53.768 33.131 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 13.757 -50.014 28.124 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 12.960 -50.429 27.795 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 14.202 -50.705 28.615 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 3.215 -44.086 20.694 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 3.807 -43.387 20.970 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 3.674 -44.519 19.975 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 1.269 -42.700 24.644 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 0.437 -42.227 24.671 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 1.815 -42.190 24.045 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 0.465 -46.277 36.928 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 0.609 -47.179 36.642 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -0.308 -45.991 36.440 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 4.806 -45.933 19.060 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 4.870 -46.727 19.591 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 5.459 -46.052 18.371 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 7.120 -46.307 36.361 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 6.792 -46.036 35.503 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 7.272 -47.248 36.273 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 1.297 -49.077 36.348 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 1.705 -49.934 36.227 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 1.037 -49.062 37.269 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.955 -47.961 21.366 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 5.496 -48.445 22.052 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 6.210 -48.629 20.730 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 5.244 -50.068 33.722 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 4.626 -49.393 34.003 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 5.588 -49.747 32.889 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 10.264 -47.597 37.000 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 11.217 -47.513 36.972 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 10.104 -48.308 37.619 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 16.416 -47.363 19.074 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 16.143 -47.788 18.261 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 16.456 -46.432 18.857 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 7.578 -48.904 32.537 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 8.329 -49.060 31.964 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 7.239 -48.052 32.261 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 11.994 -51.089 37.565 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 12.186 -52.020 37.454 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 12.851 -50.664 37.555 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 17.269 -48.441 24.873 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 16.543 -48.920 25.271 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 17.850 -48.235 25.605 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 17.537 -48.540 21.264 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 17.016 -48.183 20.545 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 17.504 -47.865 21.942 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 15.056 -49.920 25.436 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 14.906 -50.865 25.416 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 14.702 -49.639 26.280 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 0.091 -47.842 29.446 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 0.275 -47.924 28.511 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 0.940 -47.966 29.870 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 17.409 -50.047 35.759 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 16.546 -50.426 35.594 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 18.013 -50.786 35.685 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 15.378 -51.756 29.334 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 16.311 -51.544 29.300 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 15.143 -51.654 30.257 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 15.407 -51.019 32.110 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 14.564 -50.751 32.476 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 15.850 -50.197 31.899 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 1.683 -43.089 36.090 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 0.862 -42.914 35.630 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 1.431 -43.162 37.011 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 13.685 -45.407 46.312 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 13.244 -46.127 46.762 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 13.672 -44.686 46.942 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 3.271 -44.281 48.138 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 2.901 -45.083 47.769 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 4.212 -44.450 48.185 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 10.796 -40.302 46.524 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 11.416 -40.979 46.251 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.588 -40.520 47.432 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 10.843 -45.000 43.634 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 10.547 -45.322 42.783 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.519 -44.100 43.676 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 0.572 -45.189 41.947 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 0.300 -44.960 41.058 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 0.617 -44.351 42.407 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 12.449 -41.786 45.285 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 12.874 -42.493 44.800 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 12.766 -40.985 44.868 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.608 -43.885 43.794 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.351 -44.575 43.182 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.679 -44.328 44.639 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 9.767 -48.357 42.043 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 9.055 -47.822 41.692 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 10.458 -48.301 41.383 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 9.821 -49.899 39.082 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 10.522 -49.877 39.733 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 10.123 -50.527 38.426 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 13.173 -48.147 42.995 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 12.441 -47.919 43.568 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.620 -48.861 43.450 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.185 -44.089 47.559 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 6.090 -44.667 46.802 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 6.914 -44.460 48.055 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.044 -48.985 40.680 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.623 -48.835 41.427 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.458 -48.514 39.957 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 9.770 -42.248 44.115 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 10.244 -41.953 44.893 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 9.207 -41.510 43.882 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 13.521 -47.952 38.310 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 13.563 -48.175 37.380 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 14.370 -47.554 38.500 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 7.929 -46.288 41.400 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 7.185 -46.795 41.077 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 7.795 -46.239 42.346 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 5.429 -43.475 44.574 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 5.956 -42.702 44.373 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 4.549 -43.250 44.272 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 6.856 -45.812 44.150 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 6.615 -44.887 44.192 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 6.116 -46.271 44.546 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 13.984 -45.962 41.466 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.707 -46.690 42.022 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 14.911 -45.843 41.672 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 2.599 -46.700 40.653 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 1.913 -46.348 41.220 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 3.122 -45.937 40.407 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 3.215 -44.086 39.550 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 3.807 -43.387 39.826 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 3.674 -44.519 38.831 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 14.844 -40.758 48.602 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 14.688 -40.080 47.945 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 15.776 -40.686 48.805 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 1.269 -42.700 43.500 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 0.437 -42.227 43.527 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 1.815 -42.190 42.901 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 4.806 -45.933 37.916 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 4.870 -46.727 38.447 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 5.459 -46.052 37.227 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.955 -47.961 40.222 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 5.496 -48.445 40.908 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 6.210 -48.629 39.586 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 0.492 -44.391 38.969 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 1.406 -44.312 39.242 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 0.499 -45.078 38.302 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 -0.859 -38.998 44.046 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 -1.506 -39.460 43.513 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 -0.504 -39.670 44.629 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 0.011 -40.917 45.851 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 -0.323 -41.798 46.023 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 0.233 -40.572 46.715 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 17.560 -40.108 48.831 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 17.538 -39.923 49.770 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 18.250 -39.539 48.490 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 16.875 -46.494 41.905 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 17.725 -46.073 42.033 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 16.880 -47.234 42.513 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 17.269 -48.441 43.729 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 16.543 -48.920 44.127 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 17.850 -48.235 44.461 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 17.537 -48.540 40.120 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 17.016 -48.183 39.401 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 17.504 -47.865 40.798 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 15.886 -51.300 38.671 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 15.983 -50.633 37.991 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 15.746 -52.116 38.189 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.298 -40.018 44.403 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 14.951 -40.365 43.795 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.809 -39.529 45.049 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 4.506 -39.258 50.282 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 3.641 -39.186 50.686 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 4.451 -38.711 49.498 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 9.217 -39.370 49.458 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 8.760 -38.841 48.804 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 9.380 -38.767 50.183 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.544 -40.492 50.403 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 10.640 -40.327 50.137 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 11.973 -39.639 50.337 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 14.149 -38.922 50.698 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 13.967 -38.006 50.487 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 14.325 -39.332 49.851 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 1.454 -40.235 48.163 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 1.435 -40.660 49.020 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 2.259 -40.553 47.754 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 3.595 -41.525 46.818 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 3.376 -42.441 46.987 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 4.419 -41.385 47.284 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 6.132 -41.055 47.666 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 6.345 -41.943 47.379 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 6.197 -41.089 48.621 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 13.685 -26.551 -10.256 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 13.244 -27.271 -9.806 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 13.672 -25.830 -9.626 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 10.796 -21.446 -10.044 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 11.416 -22.123 -10.317 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 10.588 -21.664 -9.136 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 8.368 -27.057 -8.152 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 8.672 -27.743 -8.746 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 9.090 -26.939 -7.534 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 10.843 -26.144 -12.934 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 10.547 -26.466 -13.785 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.519 -25.244 -12.892 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 12.449 -22.930 -11.283 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.874 -23.637 -11.768 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.766 -22.129 -11.700 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 13.608 -25.029 -12.774 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 13.351 -25.719 -13.386 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 13.679 -25.472 -11.929 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 15.294 -26.463 -4.297 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 15.434 -27.054 -5.036 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 15.462 -25.590 -4.653 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 17.136 -30.123 -6.231 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 16.484 -29.428 -6.142 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 17.601 -29.913 -7.041 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 9.770 -23.392 -12.453 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 10.244 -23.097 -11.675 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 9.207 -22.654 -12.686 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 17.849 -23.782 -2.720 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 17.800 -24.737 -2.757 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 17.023 -23.514 -2.318 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 8.828 -24.208 -3.844 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 8.915 -23.382 -3.369 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 7.964 -24.538 -3.595 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 12.013 -21.356 -14.286 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 11.078 -21.256 -14.107 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 12.293 -22.065 -13.708 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 15.079 -28.299 -6.382 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 15.721 -27.842 -6.925 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 14.249 -28.186 -6.844 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 9.449 -27.248 -3.931 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 9.103 -27.629 -3.125 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 9.249 -26.314 -3.860 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 11.699 -24.786 -3.981 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 10.798 -24.603 -4.249 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 11.733 -24.527 -3.060 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 17.394 -26.741 -2.777 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 16.542 -26.503 -3.144 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 17.984 -26.758 -3.530 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 15.726 -23.755 -15.149 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 15.353 -24.581 -14.839 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 16.003 -23.938 -16.046 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 12.886 -28.947 -8.127 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 11.958 -29.179 -8.154 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 13.337 -29.724 -8.457 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 7.371 -22.807 -6.103 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 7.734 -21.952 -6.336 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 7.903 -23.099 -5.362 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 10.915 -26.708 -6.402 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 10.489 -26.935 -5.576 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 11.496 -27.446 -6.585 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 5.155 -22.312 -0.118 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 5.923 -22.771 0.223 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 5.134 -22.538 -1.048 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.732 -23.932 -1.389 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.381 -24.788 -1.146 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 12.458 -23.789 -0.782 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 12.855 -27.535 -3.968 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 13.600 -26.947 -4.088 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 12.098 -26.953 -3.905 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 15.574 -25.895 -0.177 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 14.708 -26.000 0.217 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 15.950 -25.136 0.270 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 17.028 -26.800 -7.891 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 17.862 -27.178 -8.172 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 17.140 -25.857 -8.010 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.912 -29.094 -2.637 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 16.495 -29.828 -2.446 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 16.476 -28.322 -2.591 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 14.298 -21.162 -12.165 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 14.951 -21.509 -12.773 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 14.809 -20.673 -11.519 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 8.948 -21.859 -2.404 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 9.133 -22.193 -1.526 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 9.795 -21.550 -2.726 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 9.217 -20.514 -7.110 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.760 -19.985 -7.764 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 9.380 -19.911 -6.385 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 6.132 -22.199 -8.902 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 6.345 -23.087 -9.189 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 6.197 -22.233 -7.947 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 16.278 -21.382 -14.157 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 16.084 -22.130 -14.722 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 16.239 -20.624 -14.741 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 11.046 -28.745 6.879 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 11.135 -27.801 6.747 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 10.407 -29.020 6.221 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 9.979 -29.490 10.298 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 9.941 -30.136 11.003 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 9.656 -29.956 9.527 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 13.685 -26.551 8.600 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 13.244 -27.271 9.050 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 13.672 -25.830 9.230 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 -0.119 -31.765 5.819 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 -0.567 -30.919 5.801 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 -0.680 -32.345 5.304 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 0.591 -29.603 7.945 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 0.805 -30.373 8.472 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 1.329 -29.514 7.342 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 8.368 -27.057 10.704 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 8.672 -27.743 10.110 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 9.090 -26.939 11.322 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 11.509 -32.663 11.032 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 11.652 -33.610 11.052 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 11.403 -32.456 10.103 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 4.664 -34.562 8.304 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 4.707 -33.702 7.886 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.206 -35.114 7.671 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 12.386 -34.431 6.705 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 13.032 -34.760 7.330 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 12.896 -33.913 6.082 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 1.284 -32.165 9.066 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 1.938 -32.715 9.498 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 1.308 -32.439 8.150 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 6.440 -30.615 8.282 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 7.056 -31.141 8.791 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 5.854 -31.255 7.878 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 10.843 -26.144 5.922 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 10.547 -26.466 5.071 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 10.519 -25.244 5.964 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 14.150 -35.140 8.686 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.935 -35.906 9.218 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.806 -34.668 9.199 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 0.572 -26.333 4.235 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 0.300 -26.104 3.346 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 0.617 -25.495 4.695 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.197 -24.711 10.948 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 13.255 -24.653 11.109 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.473 -23.805 10.811 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 7.500 -38.338 9.831 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.383 -39.287 9.777 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.645 -38.006 10.104 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 13.608 -25.029 6.082 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 13.351 -25.719 5.470 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 13.679 -25.472 6.927 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 4.818 -28.661 7.166 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 4.488 -29.031 6.347 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 5.406 -29.331 7.512 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 5.185 -29.892 10.799 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 5.750 -29.771 10.036 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 5.504 -29.255 11.438 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 9.770 -23.392 6.403 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 10.244 -23.097 7.181 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.207 -22.654 6.170 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 3.808 -29.591 4.755 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 3.516 -28.823 4.264 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 3.134 -30.251 4.592 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 16.932 -24.013 1.158 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 17.005 -23.074 1.328 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 17.837 -24.318 1.101 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 2.896 -21.647 6.599 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 3.048 -21.995 7.478 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 2.045 -22.003 6.344 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 12.344 -21.282 1.821 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 12.719 -22.026 1.350 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 12.348 -21.552 2.739 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 4.857 -32.248 6.616 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 3.964 -32.589 6.557 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 5.308 -32.625 5.860 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 11.397 -32.386 8.247 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 11.202 -31.781 7.532 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 11.579 -33.220 7.812 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 -0.782 -35.033 7.421 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 -0.151 -35.062 8.141 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 -0.332 -35.458 6.691 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 7.439 -34.821 7.702 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 6.528 -34.764 7.991 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 7.944 -34.881 8.513 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 2.267 -33.192 6.529 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.378 -33.092 6.189 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 2.563 -34.034 6.183 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 11.844 -35.586 10.966 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 11.167 -35.455 11.630 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 11.358 -35.741 10.156 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 8.759 -32.033 9.589 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 9.323 -32.580 9.042 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 8.611 -32.555 10.378 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 3.761 -35.897 6.007 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 3.444 -36.799 5.972 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 4.542 -35.895 5.455 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 15.079 -28.299 12.474 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 15.721 -27.842 11.931 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 14.249 -28.186 12.012 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 10.055 -25.973 2.713 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 9.760 -25.147 3.095 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 9.352 -26.593 2.909 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 15.726 -23.755 3.707 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 15.353 -24.581 4.017 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 16.003 -23.938 2.810 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 12.886 -28.947 10.729 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 11.958 -29.179 10.702 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 13.337 -29.724 10.399 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 5.429 -24.619 6.862 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 5.956 -23.846 6.661 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 4.549 -24.394 6.560 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 6.856 -26.956 6.438 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 6.615 -26.031 6.480 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 6.116 -27.415 6.834 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 5.540 -21.934 5.983 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 4.590 -21.829 6.035 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 5.891 -21.114 6.328 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 13.118 -25.779 1.528 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 13.471 -26.159 2.332 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 12.169 -25.872 1.614 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 17.622 -21.299 1.729 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 18.365 -20.713 1.589 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 16.927 -20.731 2.062 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 13.984 -27.106 3.754 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 13.707 -27.834 4.310 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 14.911 -26.987 3.960 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 7.209 -24.667 -0.025 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 7.448 -25.415 -0.573 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 6.940 -25.055 0.807 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 8.884 -23.399 3.180 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 8.067 -22.902 3.233 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 9.413 -22.924 2.540 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.222 -22.356 3.162 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 6.383 -21.556 2.661 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.025 -22.049 4.047 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 13.757 -31.158 9.268 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 12.960 -31.573 8.939 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 14.202 -31.849 9.759 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 1.269 -23.844 5.788 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 0.437 -23.371 5.815 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 1.815 -23.334 5.189 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 9.247 -22.804 0.113 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 8.603 -23.435 0.435 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 10.009 -23.335 -0.119 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 13.851 -22.987 0.347 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 14.134 -23.781 0.800 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 14.591 -22.754 -0.214 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.802 -38.031 13.873 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 6.704 -37.084 13.767 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.059 -38.403 13.397 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 0.011 -22.061 8.139 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 -0.323 -22.942 8.311 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 0.233 -21.716 9.003 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 17.028 -26.800 10.965 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 17.862 -27.178 10.684 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 17.140 -25.857 10.846 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 15.056 -31.064 6.580 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 14.906 -32.009 6.560 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 14.702 -30.783 7.424 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 0.091 -28.986 10.590 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 0.275 -29.068 9.655 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 0.940 -29.110 11.014 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 -0.786 -32.404 10.691 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 -0.294 -32.625 9.901 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 -0.424 -31.563 10.972 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 2.039 -20.002 13.540 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 1.319 -19.562 13.089 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 1.673 -20.253 14.389 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 4.506 -20.402 12.570 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 3.641 -20.330 12.974 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 4.451 -19.855 11.786 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.454 -21.379 10.451 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 1.435 -21.804 11.308 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 2.259 -21.697 10.042 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 3.595 -22.669 9.106 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.376 -23.585 9.275 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 4.419 -22.529 9.572 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.132 -22.199 9.954 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 6.345 -23.087 9.667 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 6.197 -22.233 10.909 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 9.641 -36.535 9.099 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 8.966 -37.164 9.354 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 10.205 -37.019 8.496 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.783 -38.428 9.211 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 15.387 -37.880 8.710 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 13.914 -38.108 8.971 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 16.510 -37.289 7.545 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 17.122 -37.803 7.018 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 16.893 -36.411 7.568 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 1.967 -37.901 6.921 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 1.190 -38.135 6.413 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 2.498 -38.698 6.929 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 6.547 -37.974 6.734 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 7.421 -37.586 6.704 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 6.411 -38.189 7.657 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 12.104 -37.944 8.383 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 12.180 -37.849 7.434 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 11.828 -38.852 8.512 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 2.523 -21.235 0.647 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.255 -20.948 1.520 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.294 -21.781 0.799 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 17.394 -26.741 34.935 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 16.542 -26.503 34.568 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 17.984 -26.758 34.182 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 15.574 -25.895 37.535 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 14.708 -26.000 37.929 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 15.950 -25.136 37.982 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.046 -28.745 44.591 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.135 -27.801 44.459 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 10.407 -29.020 43.933 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 9.979 -29.490 48.010 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 9.941 -30.136 48.715 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 9.656 -29.956 47.239 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 13.685 -26.551 46.312 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 13.244 -27.271 46.762 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 13.672 -25.830 46.942 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 -0.119 -31.765 43.531 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 -0.567 -30.919 43.513 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 -0.680 -32.345 43.016 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 17.031 -35.456 49.277 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 17.080 -34.846 50.013 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 17.457 -34.995 48.554 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 11.509 -32.663 48.744 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 11.652 -33.610 48.764 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 11.403 -32.456 47.815 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 4.664 -34.562 46.016 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 4.707 -33.702 45.598 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 4.206 -35.114 45.383 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 1.284 -32.165 46.778 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 1.938 -32.715 47.210 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 1.308 -32.439 45.862 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 6.440 -30.615 45.994 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 7.056 -31.141 46.503 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 5.854 -31.255 45.590 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 17.423 -33.978 51.513 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.734 -33.320 51.418 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 17.438 -34.175 52.450 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.474 -35.644 50.090 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.255 -35.114 49.324 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 2.806 -35.417 50.738 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 10.843 -26.144 43.634 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 10.547 -26.466 42.783 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 10.519 -25.244 43.676 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 3.068 -33.752 48.043 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 3.681 -33.119 48.416 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.580 -34.224 47.386 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 0.572 -26.333 41.947 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.300 -26.104 41.058 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 0.617 -25.495 42.407 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 14.497 -36.425 50.077 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 13.761 -35.814 50.039 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 15.181 -36.010 49.551 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 7.500 -38.338 47.543 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 7.383 -39.287 47.489 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 6.645 -38.006 47.816 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 13.608 -25.029 43.794 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 13.351 -25.719 43.182 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 13.679 -25.472 44.639 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 17.136 -30.123 50.337 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 16.484 -29.428 50.426 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 17.601 -29.913 49.527 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 13.070 -31.117 52.063 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 13.150 -30.354 52.635 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 12.469 -30.838 51.372 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 4.818 -28.661 44.878 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 4.488 -29.031 44.059 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 5.406 -29.331 45.224 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 9.770 -23.392 44.115 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 10.244 -23.097 44.893 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 9.207 -22.654 43.882 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 3.808 -29.591 42.467 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 3.516 -28.823 41.976 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 3.134 -30.251 42.304 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 16.932 -24.013 38.870 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 17.005 -23.074 39.040 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 17.837 -24.318 38.813 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 9.242 -20.436 42.530 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 9.167 -20.557 41.584 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 9.275 -19.486 42.649 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 12.344 -21.282 39.533 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 12.719 -22.026 39.062 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 12.348 -21.552 40.451 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 12.013 -21.356 42.282 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 11.078 -21.256 42.461 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 12.293 -22.065 42.860 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 4.769 -37.435 48.321 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 3.908 -37.522 47.913 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 4.747 -36.579 48.748 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.432 -37.713 51.695 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 9.852 -38.128 52.448 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 8.499 -37.891 51.812 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.758 -33.957 52.549 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.244 -34.083 53.346 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 12.603 -33.045 52.304 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 4.857 -32.248 44.328 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 3.964 -32.589 44.269 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 5.308 -32.625 43.572 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 -0.782 -35.033 45.133 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 -0.151 -35.062 45.853 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 -0.332 -35.458 44.403 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 10.661 -30.748 50.630 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 10.985 -31.379 49.987 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 10.221 -31.283 51.291 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.439 -34.821 45.414 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 6.528 -34.764 45.703 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 7.944 -34.881 46.225 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 2.267 -33.192 44.241 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 1.378 -33.092 43.901 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 2.563 -34.034 43.895 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.759 -32.033 47.301 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 9.323 -32.580 46.754 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 8.611 -32.555 48.090 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 7.385 -33.645 49.715 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 6.550 -33.191 49.825 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 7.909 -33.369 50.467 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 15.079 -28.299 50.186 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 15.721 -27.842 49.643 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 14.249 -28.186 49.724 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.726 -23.755 41.419 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 15.353 -24.581 41.729 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 16.003 -23.938 40.522 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 12.886 -28.947 48.441 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 11.958 -29.179 48.414 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 13.337 -29.724 48.111 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 6.856 -26.956 44.150 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 6.615 -26.031 44.192 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 6.116 -27.415 44.546 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 17.622 -21.299 39.441 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 18.365 -20.713 39.301 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 16.927 -20.731 39.774 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 13.984 -27.106 41.466 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 13.707 -27.834 42.022 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 14.911 -26.987 41.672 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 6.146 -25.097 40.143 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 6.293 -25.617 40.933 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 6.143 -24.190 40.449 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 2.599 -27.844 40.653 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 1.913 -27.492 41.220 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 3.122 -27.081 40.407 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 10.431 -35.182 50.932 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 11.129 -35.108 51.582 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 10.050 -36.046 51.087 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 8.884 -23.399 40.892 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 8.067 -22.902 40.945 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 9.413 -22.924 40.252 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 8.951 -32.816 52.049 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 9.070 -32.242 52.806 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 9.606 -33.504 52.164 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 9.299 -36.721 43.802 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 8.952 -36.103 44.447 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 9.957 -36.220 43.321 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 6.222 -22.356 40.874 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 6.383 -21.556 40.373 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 6.025 -22.049 41.759 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 15.155 -34.909 52.884 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 14.239 -34.646 52.796 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 15.491 -34.912 51.987 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 3.215 -25.230 39.550 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 3.807 -24.531 39.826 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 3.674 -25.663 38.831 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 2.339 -37.784 47.339 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 2.110 -37.725 46.412 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 1.896 -38.576 47.646 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 13.851 -22.987 38.059 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 14.134 -23.781 38.512 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 14.591 -22.754 37.498 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 5.955 -29.105 40.222 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 5.496 -29.589 40.908 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 6.210 -29.773 39.586 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 16.416 -28.507 37.930 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 16.143 -28.932 37.117 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 16.456 -27.576 37.713 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 6.924 -20.171 39.486 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 7.857 -20.013 39.630 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 6.660 -19.496 38.861 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 0.492 -25.535 38.969 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 1.406 -25.456 39.242 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 0.499 -26.222 38.302 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 16.875 -27.638 41.905 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 17.725 -27.217 42.033 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 16.880 -28.378 42.513 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 17.269 -29.585 43.729 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 16.543 -30.064 44.127 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 17.850 -29.379 44.461 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 17.028 -26.800 48.677 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 17.862 -27.178 48.396 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 17.140 -25.857 48.558 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 17.537 -29.684 40.120 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 17.016 -29.327 39.401 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 17.504 -29.009 40.798 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 15.407 -32.163 50.966 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 14.564 -31.895 51.332 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 15.850 -31.341 50.755 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 0.910 -35.403 47.334 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 1.355 -36.195 47.636 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 1.376 -34.687 47.765 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 9.641 -36.535 46.811 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 8.966 -37.164 47.066 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.205 -37.019 46.208 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 14.783 -38.428 46.923 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 15.387 -37.880 46.422 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 13.914 -38.108 46.683 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 0.705 -22.155 41.334 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 0.020 -22.193 40.666 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 0.708 -21.242 41.622 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 9.569 -20.945 39.731 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 10.435 -20.579 39.553 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.322 -21.385 38.918 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 16.278 -21.382 42.411 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 16.084 -22.130 41.846 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 16.239 -20.624 41.827 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 2.523 -21.235 38.359 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 2.255 -20.948 39.232 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 3.294 -21.781 38.511 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 11.046 -9.889 -11.977 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 11.135 -8.945 -12.109 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 10.407 -10.164 -12.635 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 2.347 -11.019 -6.965 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 2.389 -11.645 -6.241 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 3.050 -10.396 -6.783 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 13.685 -7.695 -10.256 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 13.244 -8.415 -9.806 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 13.672 -6.974 -9.626 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 4.664 -15.706 -10.552 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 4.707 -14.846 -10.970 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 4.206 -16.258 -11.185 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 12.386 -15.575 -12.151 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 13.032 -15.904 -11.526 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 12.896 -15.057 -12.774 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 6.440 -11.759 -10.574 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 7.056 -12.285 -10.065 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 5.854 -12.399 -10.978 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 3.474 -16.788 -6.478 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 3.255 -16.258 -7.244 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 2.806 -16.561 -5.830 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 10.843 -7.288 -12.934 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 10.547 -7.610 -13.785 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 10.519 -6.388 -12.892 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 6.043 -9.112 -6.190 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 5.303 -8.514 -6.087 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 6.757 -8.558 -6.506 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 14.150 -16.284 -10.170 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.935 -17.050 -9.638 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 14.806 -15.812 -9.657 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 3.068 -14.896 -8.525 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 3.681 -14.263 -8.152 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 3.580 -15.368 -9.182 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.451 -7.148 -5.403 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 4.445 -6.269 -5.781 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 3.597 -7.231 -4.978 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 14.197 -5.855 -7.908 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 13.255 -5.797 -7.747 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 14.473 -4.949 -8.045 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 7.500 -19.482 -9.025 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 7.383 -20.431 -9.079 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 6.645 -19.150 -8.752 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 9.767 -10.645 -14.525 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 9.055 -10.110 -14.876 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 10.458 -10.589 -15.185 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 13.173 -10.435 -13.573 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 12.441 -10.207 -13.000 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 13.620 -11.149 -13.118 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 4.818 -9.805 -11.690 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 4.488 -10.175 -12.509 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 5.406 -10.475 -11.344 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 6.185 -6.377 -9.009 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 6.090 -6.955 -9.766 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 6.914 -6.748 -8.513 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.185 -11.036 -8.057 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 5.750 -10.915 -8.820 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 5.504 -10.399 -7.418 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 11.494 -5.533 -7.323 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 11.253 -4.871 -6.675 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 11.296 -6.367 -6.898 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 6.065 -6.637 -3.340 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 5.753 -5.855 -2.884 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 5.415 -6.790 -4.026 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 2.985 -10.439 -4.111 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 3.055 -9.788 -3.413 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 2.094 -10.336 -4.446 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 4.304 -4.565 -2.576 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 4.312 -4.701 -3.524 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 3.388 -4.683 -2.324 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 8.828 -5.352 -3.844 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 8.915 -4.526 -3.369 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 7.964 -5.682 -3.595 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 2.150 -7.049 -4.243 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 2.367 -7.410 -3.383 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 1.295 -7.423 -4.453 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 4.860 -13.613 -7.152 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 4.218 -13.654 -6.443 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 4.897 -12.687 -7.390 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 4.857 -13.392 -12.240 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 3.964 -13.733 -12.299 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.308 -13.769 -12.996 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 10.393 -12.976 -13.423 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 9.984 -12.161 -13.715 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 11.113 -13.116 -14.038 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 11.397 -13.530 -10.609 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 11.202 -12.925 -11.324 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 11.579 -14.364 -11.044 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 2.610 -13.293 -5.285 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 2.572 -12.893 -4.417 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 2.119 -14.110 -5.195 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 7.439 -15.965 -11.154 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 6.528 -15.908 -10.865 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 7.944 -16.025 -10.343 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 2.729 -8.584 -2.005 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 3.462 -8.330 -1.444 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 1.949 -8.380 -1.490 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 3.054 -9.281 -9.399 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 3.799 -9.283 -10.000 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 3.132 -10.105 -8.917 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 6.856 -8.100 -12.418 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 6.615 -7.175 -12.376 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 6.116 -8.559 -12.022 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 7.371 -3.951 -6.103 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 7.734 -3.096 -6.336 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 7.903 -4.243 -5.362 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 8.415 -14.946 -13.704 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 9.227 -14.442 -13.658 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 8.170 -15.091 -12.790 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 9.299 -17.865 -12.766 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 8.952 -17.247 -12.121 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 9.957 -17.364 -13.247 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 13.757 -12.302 -9.588 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 12.960 -12.717 -9.917 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 14.202 -12.993 -9.097 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 14.844 -3.046 -7.966 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 14.688 -2.368 -8.623 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 15.776 -2.974 -7.763 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.155 -3.456 -0.118 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 5.923 -3.915 0.223 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 5.134 -3.682 -1.048 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 0.465 -8.565 -0.784 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 0.609 -9.467 -1.070 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 -0.308 -8.279 -1.272 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 1.297 -11.365 -1.364 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 1.705 -12.222 -1.485 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 1.037 -11.350 -0.443 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 5.244 -12.356 -3.990 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 4.626 -11.681 -3.709 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.588 -12.035 -4.823 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 5.584 -15.001 -2.907 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 5.734 -15.730 -3.510 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 5.586 -14.224 -3.466 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 5.996 -16.631 -5.415 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 6.532 -16.180 -6.067 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 5.144 -16.739 -5.837 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 4.062 -13.803 -0.996 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 3.295 -14.335 -1.206 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 4.741 -14.113 -1.595 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 6.802 -19.175 -4.983 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 6.704 -18.228 -5.089 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 6.059 -19.547 -5.459 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 8.066 -14.853 -1.420 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 7.830 -15.073 -0.518 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 7.283 -15.060 -1.929 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 2.243 -15.882 -1.291 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 2.454 -16.589 -1.902 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 2.131 -16.320 -0.447 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 7.024 -19.881 -2.312 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 7.736 -20.521 -2.326 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 6.923 -19.614 -3.226 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 17.560 -2.396 -7.737 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 17.538 -2.211 -6.798 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 18.250 -1.827 -8.078 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 17.269 -10.729 -12.839 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 16.543 -11.208 -12.441 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 17.850 -10.523 -12.107 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 17.028 -7.944 -7.891 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 17.862 -8.322 -8.172 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 17.140 -7.001 -8.010 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 15.056 -12.208 -12.276 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 14.906 -13.153 -12.296 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 14.702 -11.927 -11.432 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 17.690 -19.327 -0.248 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 18.040 -19.981 -0.854 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 17.837 -18.490 -0.688 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 15.380 -17.362 -13.765 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 15.562 -17.811 -12.940 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 14.780 -17.947 -14.229 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 1.683 -5.377 -1.622 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 0.862 -5.202 -2.082 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 1.431 -5.450 -0.701 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 8.948 -3.003 -2.404 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 9.133 -3.337 -1.526 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 9.795 -2.694 -2.726 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 11.293 -1.718 -3.160 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 11.970 -2.350 -3.400 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 11.615 -1.316 -2.352 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 11.544 -2.780 -6.165 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 10.640 -2.615 -6.431 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 11.973 -1.927 -6.231 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 14.149 -1.210 -5.870 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 13.967 -0.294 -6.081 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 14.325 -1.620 -6.717 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 9.641 -17.679 -9.757 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 8.966 -18.308 -9.502 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 10.205 -18.163 -10.360 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 16.510 -18.433 -11.311 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 17.122 -18.947 -11.838 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 16.893 -17.555 -11.288 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.104 -19.088 -10.473 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.180 -18.993 -11.422 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 11.828 -19.996 -10.344 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 3.898 -19.180 -0.882 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 4.797 -19.454 -1.067 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 3.512 -19.923 -0.418 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 13.685 -7.695 8.600 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 13.244 -8.415 9.050 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 13.672 -6.974 9.230 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 8.368 -8.201 10.704 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 8.672 -8.887 10.110 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 9.090 -8.083 11.322 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 4.664 -15.706 8.304 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 4.707 -14.846 7.886 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 4.206 -16.258 7.671 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 6.440 -11.759 8.282 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 7.056 -12.285 8.791 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 5.854 -12.399 7.878 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 17.423 -15.122 13.801 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 16.734 -14.464 13.706 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 17.438 -15.319 14.738 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.474 -16.788 12.378 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 3.255 -16.258 11.612 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 2.806 -16.561 13.026 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 10.843 -7.288 5.922 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 10.547 -7.610 5.071 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 10.519 -6.388 5.964 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 6.043 -9.112 12.666 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 5.303 -8.514 12.769 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 6.757 -8.558 12.350 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 3.068 -14.896 10.331 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 3.681 -14.263 10.704 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 3.580 -15.368 9.674 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 0.572 -7.477 4.235 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 0.300 -7.248 3.346 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 0.617 -6.639 4.695 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 14.197 -5.855 10.948 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 13.255 -5.797 11.109 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 14.473 -4.949 10.811 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 7.500 -19.482 9.831 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 7.383 -20.431 9.777 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 6.645 -19.150 10.104 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 12.449 -4.074 7.573 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 12.874 -4.781 7.088 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 12.766 -3.273 7.156 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 13.608 -6.173 6.082 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 13.351 -6.863 5.470 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 13.679 -6.616 6.927 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 17.136 -11.267 12.625 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.484 -10.572 12.714 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 17.601 -11.057 11.815 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.070 -12.261 14.351 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 13.150 -11.498 14.923 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 12.469 -11.982 13.660 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 4.818 -9.805 7.166 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 4.488 -10.175 6.347 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 5.406 -10.475 7.512 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 5.185 -11.036 10.799 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 5.750 -10.915 10.036 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 5.504 -10.399 11.438 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 11.494 -5.533 11.533 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 11.253 -4.871 12.181 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 11.296 -6.367 11.958 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.770 -4.536 6.403 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 10.244 -4.241 7.181 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.207 -3.798 6.170 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 15.742 -19.523 2.781 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 14.843 -19.384 3.076 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 15.994 -18.692 2.379 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 3.808 -10.735 4.755 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 3.516 -9.967 4.264 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 3.134 -11.395 4.592 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 9.242 -1.580 4.818 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 9.167 -1.701 3.872 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 9.275 -0.630 4.937 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 12.013 -2.500 4.570 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 11.078 -2.400 4.749 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 12.293 -3.209 5.148 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 4.769 -18.579 10.609 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.908 -18.666 10.201 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 4.747 -17.723 11.036 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 4.860 -13.613 11.704 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 4.218 -13.654 12.413 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 4.897 -12.687 11.466 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 4.857 -13.392 6.616 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 3.964 -13.733 6.557 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.308 -13.769 5.860 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 9.495 -12.801 16.921 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.932 -13.505 17.241 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 10.321 -12.921 17.388 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 2.610 -13.293 13.571 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 2.572 -12.893 14.439 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 2.119 -14.110 13.661 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 10.661 -11.892 12.918 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 10.985 -12.523 12.275 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 10.221 -12.427 13.579 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 2.267 -14.336 6.529 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 1.378 -14.236 6.189 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 2.563 -15.178 6.183 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 4.594 -13.141 1.752 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 4.052 -13.521 1.061 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 5.428 -12.947 1.323 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 3.761 -17.041 6.007 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 3.444 -17.943 5.972 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 4.542 -17.039 5.455 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 15.079 -9.443 12.474 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 15.721 -8.986 11.931 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 14.249 -9.330 12.012 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 9.449 -8.392 14.925 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 9.103 -8.773 15.731 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 9.249 -7.458 14.996 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 7.079 -11.303 16.985 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 6.783 -11.469 16.090 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 8.010 -11.523 16.975 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 17.430 -13.685 3.242 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 16.876 -14.081 2.570 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 17.531 -12.775 2.965 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 17.394 -7.885 16.079 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 16.542 -7.647 15.712 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 17.984 -7.902 15.326 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 15.726 -4.899 3.707 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 15.353 -5.725 4.017 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 16.003 -5.082 2.810 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 5.429 -5.763 6.862 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 5.956 -4.990 6.661 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 4.549 -5.538 6.560 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 1.184 -10.901 1.449 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 1.800 -10.274 1.828 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 0.322 -10.585 1.720 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 6.856 -8.100 6.438 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 6.615 -7.175 6.480 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 6.116 -8.559 6.834 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 5.540 -3.078 5.983 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 4.590 -2.973 6.035 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 5.891 -2.258 6.328 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 10.915 -7.852 12.454 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 10.489 -8.079 13.280 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 11.496 -8.590 12.271 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 1.696 -16.067 14.330 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 0.803 -15.728 14.263 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 1.597 -16.922 14.748 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 2.599 -8.988 2.941 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 1.913 -8.636 3.508 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 3.122 -8.225 2.695 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 8.884 -4.543 3.180 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 8.067 -4.046 3.233 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 9.413 -4.068 2.540 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 6.222 -3.500 3.162 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 6.383 -2.700 2.661 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 6.025 -3.193 4.047 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 3.215 -6.374 1.838 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 3.807 -5.675 2.114 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 3.674 -6.807 1.119 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 1.531 -13.710 0.954 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 1.486 -12.771 1.133 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 0.643 -13.946 0.684 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 2.339 -18.928 9.627 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 2.110 -18.869 8.700 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 1.896 -19.720 9.934 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 1.269 -4.988 5.788 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 0.437 -4.515 5.815 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.815 -4.478 5.189 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 9.247 -3.948 0.113 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 8.603 -4.579 0.435 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 10.009 -4.479 -0.119 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 12.855 -8.679 14.888 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 13.600 -8.091 14.768 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 12.098 -8.097 14.951 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 5.244 -12.356 14.866 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 4.626 -11.681 15.147 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 5.588 -12.035 14.033 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 10.264 -9.885 18.144 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 11.217 -9.801 18.116 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 10.104 -10.596 18.763 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 5.584 -15.001 15.949 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 5.734 -15.730 15.346 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 5.586 -14.224 15.390 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 7.578 -11.192 13.681 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 8.329 -11.348 13.108 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 7.239 -10.340 13.405 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 13.310 -10.588 16.787 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 13.029 -9.879 16.209 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 14.253 -10.661 16.636 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 4.062 -13.803 17.860 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 3.295 -14.335 17.650 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 4.741 -14.113 17.261 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 2.243 -15.882 17.565 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 2.454 -16.589 16.954 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 2.131 -16.320 18.409 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 6.924 -1.315 1.774 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 7.857 -1.157 1.918 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 6.660 -0.640 1.149 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 0.492 -6.679 1.257 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 1.406 -6.600 1.530 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 0.499 -7.366 0.590 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.574 -7.039 18.679 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 14.708 -7.144 19.073 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.950 -6.280 19.126 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 17.269 -10.729 6.017 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 16.543 -11.208 6.415 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 17.850 -10.523 6.749 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 17.028 -7.944 10.965 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 17.862 -8.322 10.684 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 17.140 -7.001 10.846 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 15.912 -10.238 16.219 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 16.495 -10.972 16.410 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 16.476 -9.466 16.265 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 15.407 -13.307 13.254 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 14.564 -13.039 13.620 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 15.850 -12.485 13.043 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 -0.311 -14.859 16.731 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 0.608 -14.981 16.967 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 -0.761 -15.609 17.120 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 17.246 -17.295 1.619 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 17.659 -18.016 1.143 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 17.928 -16.625 1.677 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 14.298 -2.306 6.691 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 14.951 -2.653 6.083 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 14.809 -1.817 7.337 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 -0.509 -18.552 13.090 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 -1.174 -18.798 13.733 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 -0.952 -17.930 12.513 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 1.967 -19.045 6.921 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 1.190 -19.279 6.413 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 2.498 -19.842 6.929 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 6.547 -19.118 6.734 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 7.421 -18.730 6.704 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.411 -19.333 7.657 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 2.665 -17.331 1.167 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 3.156 -17.961 0.639 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 3.288 -17.035 1.830 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 9.569 -2.089 2.019 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 10.435 -1.723 1.841 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 9.322 -2.529 1.206 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 16.278 -2.526 4.699 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 16.084 -3.274 4.134 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 16.239 -1.768 4.115 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 2.523 -2.379 0.647 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 2.255 -2.092 1.520 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 3.294 -2.925 0.799 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 11.046 -9.889 25.735 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 11.135 -8.945 25.603 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 10.407 -10.164 25.077 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 9.979 -10.634 29.154 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 9.941 -11.280 29.859 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 9.656 -11.100 28.383 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 2.347 -11.019 30.747 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 2.389 -11.645 31.471 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 3.050 -10.396 30.929 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 13.685 -7.695 27.456 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 13.244 -8.415 27.906 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 13.672 -6.974 28.086 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 -0.119 -12.909 24.675 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 -0.567 -12.063 24.657 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 -0.680 -13.489 24.160 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 0.591 -10.747 26.801 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 0.805 -11.517 27.328 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 1.329 -10.658 26.198 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 8.368 -8.201 29.560 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 8.672 -8.887 28.966 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 9.090 -8.083 30.178 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 10.843 -7.288 24.778 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 10.547 -7.610 23.927 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 10.519 -6.388 24.820 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 6.043 -9.112 31.522 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 5.303 -8.514 31.625 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 6.757 -8.558 31.206 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 15.294 -7.607 33.415 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 15.434 -8.198 32.676 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.462 -6.734 33.059 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 9.767 -10.645 23.187 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 9.055 -10.110 22.836 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 10.458 -10.589 22.527 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 9.821 -12.187 20.226 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.522 -12.165 20.877 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 10.123 -12.815 19.570 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.173 -10.435 24.139 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 12.441 -10.207 24.712 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 13.620 -11.149 24.594 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.070 -12.261 33.207 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 13.150 -11.498 33.779 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 12.469 -11.982 32.516 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 4.818 -9.805 26.022 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 4.488 -10.175 25.203 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 5.406 -10.475 26.368 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 5.185 -11.036 29.655 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 5.750 -10.915 28.892 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 5.504 -10.399 30.294 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 12.044 -11.273 21.824 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 12.623 -11.123 22.571 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 12.458 -10.802 21.101 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 2.985 -10.439 33.601 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 3.055 -9.788 34.299 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 2.094 -10.336 33.266 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 3.808 -10.735 23.611 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 3.516 -9.967 23.120 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 3.134 -11.395 23.448 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 16.932 -5.157 20.014 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 17.005 -4.218 20.184 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 17.837 -5.462 19.957 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 17.849 -4.926 34.992 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 17.800 -5.881 34.955 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 17.023 -4.658 35.394 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 15.001 -13.433 35.472 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 14.594 -12.952 34.752 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 15.042 -14.338 35.165 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 13.521 -10.240 19.454 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 13.563 -10.463 18.524 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 14.370 -9.842 19.644 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 9.495 -12.801 35.777 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 8.932 -13.505 36.097 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 10.321 -12.921 36.244 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 2.610 -13.293 32.427 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 2.572 -12.893 33.295 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 2.119 -14.110 32.517 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 5.976 -15.919 19.225 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 5.545 -16.364 19.955 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 5.258 -15.547 18.713 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 -0.782 -16.177 26.277 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 -0.151 -16.206 26.997 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 -0.332 -16.602 25.547 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 0.493 -15.431 21.701 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 0.967 -14.840 21.116 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 -0.225 -14.900 22.048 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 10.661 -11.892 31.774 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 10.985 -12.523 31.131 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 10.221 -12.427 32.435 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 4.594 -13.141 20.608 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 4.052 -13.521 19.917 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 5.428 -12.947 20.179 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 7.929 -8.576 22.544 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 7.185 -9.083 22.221 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 7.795 -8.527 23.490 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 15.079 -9.443 31.330 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 15.721 -8.986 30.787 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 14.249 -9.330 30.868 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 3.054 -9.281 28.313 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 3.799 -9.283 27.712 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 3.132 -10.105 28.795 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 17.394 -7.885 34.935 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.542 -7.647 34.568 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.984 -7.902 34.182 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 15.726 -4.899 22.563 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 15.353 -5.725 22.873 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 16.003 -5.082 21.666 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 12.886 -10.091 29.585 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 11.958 -10.323 29.558 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 13.337 -10.868 29.255 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 6.856 -8.100 25.294 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 6.615 -7.175 25.336 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 6.116 -8.559 25.690 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 10.915 -7.852 31.310 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 10.489 -8.079 32.136 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 11.496 -8.590 31.127 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 1.696 -16.067 33.186 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 0.803 -15.728 33.119 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 1.597 -16.922 33.604 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 13.984 -8.250 22.610 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 13.707 -8.978 23.166 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 14.911 -8.131 22.816 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 2.599 -8.988 21.797 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 1.913 -8.636 22.364 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 3.122 -8.225 21.551 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 8.951 -13.960 33.193 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 9.070 -13.386 33.950 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 9.606 -14.648 33.308 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 4.956 -16.802 21.634 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 4.873 -15.913 21.980 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 5.846 -17.067 21.865 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 1.531 -13.710 19.810 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 1.486 -12.771 19.989 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 0.643 -13.946 19.540 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 12.855 -8.679 33.744 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 13.600 -8.091 33.624 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 12.098 -8.097 33.807 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 5.955 -10.249 21.366 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 5.496 -10.733 22.052 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 6.210 -10.917 20.730 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 5.244 -12.356 33.722 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 4.626 -11.681 34.003 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 5.588 -12.035 32.889 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 7.026 -12.006 19.629 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 6.846 -12.160 18.701 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 7.977 -11.898 19.673 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 16.416 -9.651 19.074 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 16.143 -10.076 18.261 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 16.456 -8.720 18.857 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 5.584 -15.001 34.805 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 5.734 -15.730 34.202 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 5.586 -14.224 34.246 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 7.578 -11.192 32.537 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 8.329 -11.348 31.964 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 7.239 -10.340 32.261 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 11.994 -13.377 37.565 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 12.186 -14.308 37.454 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 12.851 -12.952 37.555 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 13.310 -10.588 35.643 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 13.029 -9.879 35.065 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 14.253 -10.661 35.492 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 4.062 -13.803 36.716 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 3.295 -14.335 36.506 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 4.741 -14.113 36.117 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 8.066 -14.853 36.292 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 7.830 -15.073 37.194 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 7.283 -15.060 35.783 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 10.782 -15.726 35.368 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 9.834 -15.694 35.500 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 11.094 -16.351 36.022 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 12.416 -17.092 37.373 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 12.319 -18.044 37.367 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 12.094 -16.823 38.234 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 2.243 -15.882 36.421 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 2.454 -16.589 35.810 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 2.131 -16.320 37.265 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 7.377 -18.198 37.454 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 7.246 -18.674 36.633 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 6.778 -17.454 37.398 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 16.875 -8.782 23.049 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 17.725 -8.361 23.177 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 16.880 -9.522 23.657 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 17.269 -10.729 24.873 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 16.543 -11.208 25.271 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 17.850 -10.523 25.605 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 17.028 -7.944 29.821 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 17.862 -8.322 29.540 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 17.140 -7.001 29.702 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 15.056 -12.208 25.436 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 14.906 -13.153 25.416 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 14.702 -11.927 26.280 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 0.091 -10.130 29.446 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 0.275 -10.212 28.511 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 0.940 -10.254 29.870 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 15.912 -10.238 35.075 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 16.495 -10.972 35.266 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 16.476 -9.466 35.121 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 17.409 -12.335 35.759 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 16.546 -12.714 35.594 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 18.013 -13.074 35.685 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 -0.311 -14.859 35.587 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 0.608 -14.981 35.823 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 -0.761 -15.609 35.976 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 -0.786 -13.548 29.547 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 -0.294 -13.769 28.757 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 -0.424 -12.707 29.828 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 2.665 -17.331 20.023 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 3.156 -17.961 19.495 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 3.288 -17.035 20.686 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 15.742 -19.523 40.493 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 14.843 -19.384 40.788 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 15.994 -18.692 40.091 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 9.094 -16.364 38.980 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 8.840 -16.345 39.903 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 8.837 -17.236 38.679 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 5.976 -15.919 38.081 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 5.545 -16.364 38.811 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 5.258 -15.547 37.569 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 11.827 -15.762 39.599 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 10.889 -15.650 39.448 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 12.124 -14.905 39.905 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 4.956 -16.802 40.490 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 4.873 -15.913 40.836 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 5.846 -17.067 40.721 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 16.416 -9.651 37.930 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 16.143 -10.076 37.117 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 16.456 -8.720 37.713 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 17.537 -10.828 40.120 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 17.016 -10.471 39.401 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 17.504 -10.153 40.798 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 15.886 -13.588 38.671 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 15.983 -12.921 37.991 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 15.746 -14.404 38.189 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 15.134 -16.180 37.788 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 15.744 -16.552 38.425 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 14.297 -16.602 37.984 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.380 -17.362 42.803 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 15.562 -17.811 43.628 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 14.780 -17.947 42.339 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 17.246 -17.295 39.331 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 17.659 -18.016 38.855 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 17.928 -16.625 39.389 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 0.804 -19.247 40.436 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 1.243 -18.636 39.845 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 0.170 -18.709 40.910 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 13.457 -19.062 41.788 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 12.754 -18.448 41.578 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 13.012 -19.900 41.919 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 2.665 -17.331 38.879 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 3.156 -17.961 38.351 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 3.288 -17.035 39.542 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 7.691 -17.038 41.336 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 7.869 -17.684 42.019 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 7.637 -16.204 41.803 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 14.497 1.287 -6.491 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 13.761 1.898 -6.529 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 15.181 1.702 -7.017 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 9.432 -0.001 -4.873 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 9.852 -0.416 -4.120 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 8.499 -0.179 -4.756 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 15.155 2.803 -3.684 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 14.239 3.066 -3.772 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 15.491 2.800 -4.581 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 12.416 1.764 -0.339 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 12.319 0.812 -0.345 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 12.094 2.033 0.522 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 17.210 1.638 -1.899 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 16.293 1.909 -1.935 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 17.333 1.103 -2.683 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 16.211 -0.272 -4.080 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 15.398 0.053 -4.468 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 16.444 -1.032 -4.613 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 15.742 -0.667 2.781 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 14.843 -0.528 3.076 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 15.994 0.164 2.379 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 11.827 3.094 1.887 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 10.889 3.206 1.736 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 12.124 3.951 2.193 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 15.134 2.676 0.076 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 15.744 2.304 0.713 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 14.297 2.254 0.272 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 15.380 1.494 5.091 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 15.562 1.045 5.916 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 14.780 0.909 4.627 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 17.246 1.561 1.619 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 17.659 0.840 1.143 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 17.928 2.231 1.677 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 13.457 -0.206 4.076 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 12.754 0.408 3.866 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 13.012 -1.044 4.207 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 23.307 -44.860 13.453 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 23.301 -43.981 13.075 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 22.453 -44.943 13.878 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 24.921 -44.349 15.516 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 24.609 -43.567 15.972 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.271 -44.502 14.830 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 18.757 -46.084 13.570 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 18.256 -46.112 12.755 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 18.763 -46.990 13.880 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 18.508 -43.304 10.454 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 19.454 -43.448 10.435 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 18.395 -42.520 10.991 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 27.684 -43.064 15.012 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 27.771 -42.238 15.487 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 26.820 -43.394 15.261 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 21.006 -44.761 14.613 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 21.223 -45.122 15.473 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 20.151 -45.135 14.403 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 21.585 -46.296 16.851 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 22.318 -46.042 17.412 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 20.805 -46.092 17.366 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 26.227 -41.663 12.753 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 26.590 -40.808 12.520 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 26.759 -41.955 13.494 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 20.203 -41.974 12.765 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 20.420 -42.906 12.734 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 20.450 -41.700 13.649 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 30.588 -42.788 17.467 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 30.237 -43.644 17.710 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 31.314 -42.645 18.074 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 19.321 -46.277 18.072 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.465 -47.179 17.786 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.548 -45.991 17.584 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 25.976 -46.307 17.505 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 25.648 -46.036 16.647 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 26.128 -47.248 17.417 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 18.867 -40.917 8.139 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 18.533 -41.798 8.311 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 19.089 -40.572 9.003 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 23.493 -42.114 13.493 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 23.068 -41.305 13.210 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 24.398 -42.029 13.191 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 27.804 -40.715 16.452 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 27.989 -41.049 17.330 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 28.651 -40.406 16.130 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 30.149 -39.430 15.696 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 30.826 -40.062 15.456 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 30.471 -39.028 16.504 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 23.362 -39.258 12.570 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 22.497 -39.186 12.974 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 23.307 -38.711 11.786 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 20.310 -40.235 10.451 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 20.291 -40.660 11.308 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 21.115 -40.553 10.042 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.451 -41.525 9.106 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 22.232 -42.441 9.275 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 23.275 -41.385 9.572 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 21.203 -48.731 30.747 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 21.245 -49.357 31.471 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 21.906 -48.108 30.929 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 18.737 -50.621 24.675 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.289 -49.775 24.657 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 18.176 -51.201 24.160 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.447 -48.459 26.801 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.661 -49.229 27.328 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 20.185 -48.370 26.198 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 29.652 -40.302 27.668 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 30.272 -40.979 27.395 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 29.444 -40.520 28.576 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.224 -45.913 29.560 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 27.528 -46.599 28.966 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 27.946 -45.795 30.178 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 20.140 -51.021 27.922 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 20.794 -51.571 28.354 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 20.164 -51.295 27.006 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 29.699 -45.000 24.778 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 29.403 -45.322 23.927 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 29.375 -44.100 24.820 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.899 -46.824 31.522 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.159 -46.226 31.625 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 25.613 -46.270 31.206 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 19.428 -45.189 23.091 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 19.156 -44.960 22.202 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 19.473 -44.351 23.551 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 31.305 -41.786 26.429 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 31.730 -42.493 25.944 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 31.622 -40.985 26.012 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 23.674 -47.517 26.022 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.344 -47.887 25.203 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.262 -48.187 26.368 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 25.041 -44.089 28.703 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 24.946 -44.667 27.946 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 25.770 -44.460 29.199 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 24.041 -48.748 29.655 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 24.606 -48.627 28.892 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 24.360 -48.111 30.294 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 24.921 -44.349 34.372 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 24.609 -43.567 34.828 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 24.271 -44.502 33.686 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 21.841 -48.151 33.601 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 21.911 -47.500 34.299 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 20.950 -48.048 33.266 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 28.626 -42.248 25.259 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 29.100 -41.953 26.037 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 28.063 -41.510 25.026 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 22.664 -48.447 23.611 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 22.372 -47.679 23.120 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 21.990 -49.107 23.448 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 27.684 -43.064 33.868 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 27.771 -42.238 34.343 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 26.820 -43.394 34.117 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 28.098 -39.292 23.674 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 28.023 -39.413 22.728 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 28.131 -38.342 23.793 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 31.200 -40.138 20.677 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 31.575 -40.882 20.206 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 31.204 -40.408 21.595 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 30.869 -40.212 23.426 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 29.934 -40.112 23.605 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 31.149 -40.921 24.004 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 23.716 -51.325 30.560 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 23.074 -51.366 31.269 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 23.753 -50.399 30.322 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 21.466 -51.005 32.427 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.428 -50.605 33.295 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.975 -51.822 32.517 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 21.585 -46.296 35.707 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.318 -46.042 36.268 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 20.805 -46.092 36.222 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 26.785 -46.288 22.544 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 26.041 -46.795 22.221 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 26.651 -46.239 23.490 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 28.305 -46.104 33.781 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 27.959 -46.485 34.587 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 28.105 -45.170 33.852 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 21.910 -46.993 28.313 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 22.655 -46.995 27.712 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.988 -47.817 28.795 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 28.911 -44.829 21.569 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 28.616 -44.003 21.951 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 28.208 -45.449 21.765 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 18.918 -48.532 33.628 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 19.141 -48.950 34.460 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 18.316 -49.145 33.206 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 25.935 -49.015 35.841 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 25.639 -49.181 34.946 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 26.866 -49.235 35.831 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 20.040 -48.613 20.305 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 20.656 -47.986 20.684 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.178 -48.297 20.576 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 25.712 -45.812 25.294 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 25.471 -44.887 25.336 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 24.972 -46.271 25.690 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 26.227 -41.663 31.609 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 26.590 -40.808 31.376 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 26.759 -41.955 32.350 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 25.002 -43.953 21.287 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 25.149 -44.473 22.077 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.999 -43.046 21.593 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 21.455 -46.700 21.797 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.769 -46.348 22.364 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 21.978 -45.937 21.551 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 27.740 -42.255 22.036 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 26.923 -41.758 22.089 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 28.269 -41.780 21.396 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.011 -41.168 37.594 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 24.779 -41.627 37.935 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 23.990 -41.394 36.664 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 28.103 -41.660 18.969 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 27.459 -42.291 19.291 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 28.865 -42.191 18.737 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 19.321 -46.277 36.928 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 19.465 -47.179 36.642 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 18.548 -45.991 36.440 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 23.662 -45.933 19.060 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 23.726 -46.727 19.591 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 24.315 -46.052 18.371 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.976 -46.307 36.361 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.648 -46.036 35.503 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 26.128 -47.248 36.273 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 29.014 -44.886 18.796 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 28.746 -44.706 19.697 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 28.808 -45.812 18.665 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 20.153 -49.077 36.348 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 20.561 -49.934 36.227 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 19.893 -49.062 37.269 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.811 -47.961 21.366 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 24.352 -48.445 22.052 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.066 -48.629 20.730 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 24.100 -50.068 33.722 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 23.482 -49.393 34.003 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 24.444 -49.747 32.889 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 26.434 -48.904 32.537 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 27.185 -49.060 31.964 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 26.095 -48.052 32.261 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 19.348 -44.391 20.113 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 20.262 -44.312 20.386 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 19.355 -45.078 19.446 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 18.947 -47.842 29.446 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 19.131 -47.924 28.511 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 19.796 -47.966 29.870 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 18.545 -52.571 35.587 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 19.464 -52.693 35.823 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 18.095 -53.321 35.976 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 18.070 -51.260 29.547 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 18.562 -51.481 28.757 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 18.432 -50.419 29.828 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 28.073 -39.370 30.602 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 27.616 -38.841 29.948 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 28.236 -38.767 31.327 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 28.425 -39.801 20.875 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 29.291 -39.435 20.697 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 28.178 -40.241 20.062 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 22.127 -44.281 48.138 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 21.757 -45.083 47.769 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 23.068 -44.450 48.185 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 22.664 -48.447 42.467 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 22.372 -47.679 41.976 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 21.990 -49.107 42.304 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 18.508 -43.304 48.166 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 19.454 -43.448 48.147 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 18.395 -42.520 48.703 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 28.098 -39.292 42.530 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 28.023 -39.413 41.584 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 28.131 -38.342 42.649 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.285 -43.475 44.574 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.812 -42.702 44.373 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 23.405 -43.250 44.272 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 20.040 -48.613 39.161 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 20.656 -47.986 39.540 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 19.178 -48.297 39.432 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.396 -40.790 43.695 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.446 -40.685 43.747 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 24.747 -39.970 44.040 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.203 -41.974 50.477 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.420 -42.906 50.446 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 20.450 -41.700 51.361 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 26.065 -43.523 37.687 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 26.304 -44.271 37.139 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 25.796 -43.911 38.519 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 25.002 -43.953 40.143 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.149 -44.473 40.933 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.999 -43.046 40.449 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 21.455 -46.700 40.653 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 20.769 -46.348 41.220 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 21.978 -45.937 40.407 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.740 -42.255 40.892 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 26.923 -41.758 40.945 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 28.269 -41.780 40.252 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 25.078 -41.212 40.874 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 25.239 -40.412 40.373 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.881 -40.905 41.759 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 28.103 -41.660 37.825 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.459 -42.291 38.147 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 28.865 -42.191 37.593 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.662 -45.933 37.916 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 23.726 -46.727 38.447 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 24.315 -46.052 37.227 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 25.780 -39.027 39.486 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 26.713 -38.869 39.630 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 25.516 -38.352 38.861 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.895 -38.858 51.252 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.175 -38.418 50.801 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.529 -39.109 52.101 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 23.362 -39.258 50.282 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 22.497 -39.186 50.686 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 23.307 -38.711 49.498 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 28.073 -39.370 49.458 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 27.616 -38.841 48.804 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.236 -38.767 50.183 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 20.310 -40.235 48.163 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 20.291 -40.660 49.020 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 21.115 -40.553 47.754 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 22.451 -41.525 46.818 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 22.232 -42.441 46.987 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 23.275 -41.385 47.284 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 24.988 -41.055 47.666 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.201 -41.943 47.379 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.053 -41.089 48.621 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 28.425 -39.801 39.731 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 29.291 -39.435 39.553 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 28.178 -40.241 38.918 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 22.127 -25.425 -8.430 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 21.757 -26.227 -8.799 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 23.068 -25.594 -8.383 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 18.757 -27.228 -5.286 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 18.256 -27.256 -6.101 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 18.763 -28.134 -4.976 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 21.752 -21.647 -12.257 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 21.904 -21.995 -11.378 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 20.901 -22.003 -12.512 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 21.006 -25.905 -4.243 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 21.223 -26.266 -3.383 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 20.151 -26.279 -4.453 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 20.203 -23.118 -6.091 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.420 -24.050 -6.122 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 20.450 -22.844 -5.207 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 20.125 -23.844 -13.068 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 19.293 -23.371 -13.041 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 20.671 -23.334 -13.667 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.414 -21.231 -1.738 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 19.954 -21.448 -0.979 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.933 -22.037 -1.928 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 17.997 -20.142 -12.522 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 17.350 -20.604 -13.055 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 18.352 -20.814 -11.939 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 18.867 -22.061 -10.717 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 18.533 -22.942 -10.545 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 19.089 -21.716 -9.853 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 18.947 -28.986 -8.266 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 19.131 -29.068 -9.201 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 19.796 -29.110 -7.842 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 20.539 -24.233 -1.622 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 19.718 -24.058 -2.082 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 20.287 -24.306 -0.701 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 23.493 -23.258 -5.363 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.068 -22.449 -5.646 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 24.398 -23.173 -5.665 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.895 -20.002 -5.316 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 20.175 -19.562 -5.767 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.529 -20.253 -4.467 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.362 -20.402 -6.286 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 22.497 -20.330 -5.882 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.307 -19.855 -7.070 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 20.310 -21.379 -8.405 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 20.291 -21.804 -7.548 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 21.115 -21.697 -8.814 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 22.451 -22.669 -9.750 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.232 -23.585 -9.581 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 23.275 -22.529 -9.284 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 21.203 -29.875 11.891 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 21.245 -30.501 12.615 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 21.906 -29.252 12.073 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 22.127 -25.425 10.426 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 21.757 -26.227 10.057 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 23.068 -25.594 10.473 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 19.447 -29.603 7.945 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 19.661 -30.373 8.472 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 20.185 -29.514 7.342 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 20.140 -32.165 9.066 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 20.794 -32.715 9.498 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 20.164 -32.439 8.150 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 22.330 -35.644 12.378 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 22.111 -35.114 11.612 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 21.662 -35.417 13.026 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 24.899 -27.968 12.666 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 24.159 -27.370 12.769 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 25.613 -27.414 12.350 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.924 -33.752 10.331 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.537 -33.119 10.704 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.436 -34.224 9.674 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.041 -25.233 9.847 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 24.946 -25.811 9.090 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.770 -25.604 10.343 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 24.041 -29.892 10.799 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.606 -29.771 10.036 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.360 -29.255 11.438 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 18.508 -24.448 10.454 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.454 -24.592 10.435 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 18.395 -23.664 10.991 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 27.684 -24.208 15.012 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 27.771 -23.382 15.487 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 26.820 -24.538 15.261 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 21.752 -21.647 6.599 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 21.904 -21.995 7.478 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 20.901 -22.003 6.344 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 23.625 -37.435 10.609 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 22.764 -37.522 10.201 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 23.603 -36.579 11.036 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 28.288 -37.713 13.983 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 28.708 -38.128 14.736 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 27.355 -37.891 14.100 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.716 -32.469 11.704 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 23.074 -32.510 12.413 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 23.753 -31.543 11.466 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 28.351 -31.657 16.921 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 27.788 -32.361 17.241 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 29.177 -31.777 17.388 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 21.466 -32.149 13.571 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.428 -31.749 14.439 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 20.975 -32.966 13.661 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 18.074 -35.033 7.421 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 18.705 -35.062 8.141 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 18.524 -35.458 6.691 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 26.241 -33.645 12.003 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.406 -33.191 12.113 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 26.765 -33.369 12.755 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 28.305 -27.248 14.925 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 27.959 -27.629 15.731 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.105 -26.314 14.996 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 21.910 -28.137 9.457 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.655 -28.139 8.856 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 21.988 -28.961 9.939 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 25.935 -30.159 16.985 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 25.639 -30.325 16.090 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 26.866 -30.379 16.975 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 30.555 -24.786 14.875 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 29.654 -24.603 14.607 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 30.589 -24.527 15.796 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 26.227 -22.807 12.753 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 26.590 -21.952 12.520 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 26.759 -23.099 13.494 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 32.430 -22.156 14.923 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 31.828 -22.711 14.428 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 32.711 -21.489 14.297 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 21.195 -37.784 9.627 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 20.966 -37.725 8.700 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 20.752 -38.576 9.934 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 20.125 -23.844 5.788 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 19.293 -23.371 5.815 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 20.671 -23.334 5.189 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 30.588 -23.932 17.467 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 30.237 -24.788 17.710 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 31.314 -23.789 18.074 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.976 -27.451 17.505 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 25.648 -27.180 16.647 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 26.128 -28.392 17.417 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.100 -31.212 14.866 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.482 -30.537 15.147 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.444 -30.891 14.033 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 29.120 -28.741 18.144 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 30.073 -28.657 18.116 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.960 -29.452 18.763 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.440 -33.857 15.949 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.590 -34.586 15.346 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.442 -33.080 15.390 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 24.852 -35.487 13.441 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 25.388 -35.036 12.789 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 24.000 -35.595 13.019 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 26.434 -30.048 13.681 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 27.185 -30.204 13.108 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.095 -29.196 13.405 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 25.658 -38.031 13.873 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 25.560 -37.084 13.767 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 24.915 -38.403 13.397 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.922 -33.709 17.436 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.686 -33.929 18.338 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 26.139 -33.916 16.927 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 25.880 -38.737 16.544 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 26.592 -39.377 16.530 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 25.779 -38.470 15.630 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 18.867 -22.061 8.139 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 18.533 -22.942 8.311 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.089 -21.716 9.003 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 18.947 -28.986 10.590 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 19.131 -29.068 9.655 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 19.796 -29.110 11.014 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 19.766 -35.403 9.622 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 20.211 -36.195 9.924 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 20.232 -34.687 10.053 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 30.149 -20.574 15.696 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 30.826 -21.206 15.456 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 30.471 -20.172 16.504 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.362 -20.402 12.570 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.497 -20.330 12.974 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.307 -19.855 11.786 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.073 -20.514 11.746 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 27.616 -19.985 11.092 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 28.236 -19.911 12.471 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 30.400 -21.636 12.691 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 29.496 -21.471 12.425 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 30.829 -20.783 12.625 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 22.451 -22.669 9.106 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.232 -23.585 9.275 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.275 -22.529 9.572 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.988 -22.199 9.954 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 25.201 -23.087 9.667 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 25.053 -22.233 10.909 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 19.561 -22.155 3.622 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.876 -22.193 2.954 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 19.564 -21.242 3.910 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 31.176 -38.704 18.156 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 31.252 -39.130 19.010 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 32.069 -38.690 17.814 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 28.835 -29.490 29.154 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 28.797 -30.136 29.859 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 28.512 -29.956 28.383 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.224 -27.057 29.560 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 27.528 -27.743 28.966 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.946 -26.939 30.178 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 30.365 -32.663 29.888 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 30.508 -33.610 29.908 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 30.259 -32.456 28.959 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 25.296 -30.615 27.138 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 25.912 -31.141 27.647 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.710 -31.255 26.734 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 24.899 -27.968 31.522 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 24.159 -27.370 31.625 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.613 -27.414 31.206 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 23.307 -26.004 32.309 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 23.301 -25.125 31.931 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.453 -26.087 32.734 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 26.356 -38.338 28.687 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 26.239 -39.287 28.633 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.501 -38.006 28.960 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 28.623 -29.501 23.187 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.911 -28.966 22.836 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 29.314 -29.445 22.527 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 28.677 -31.043 20.226 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 29.378 -31.021 20.877 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 28.979 -31.671 19.570 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.041 -25.233 28.703 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 24.946 -25.811 27.946 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 25.770 -25.604 29.199 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.041 -29.892 29.655 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.606 -29.771 28.892 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.360 -29.255 30.294 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 24.921 -25.493 34.372 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 24.609 -24.711 34.828 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 24.271 -25.646 33.686 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 21.841 -29.295 33.601 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.911 -28.644 34.299 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.950 -29.192 33.266 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 28.626 -23.392 25.259 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 29.100 -23.097 26.037 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 28.063 -22.654 25.026 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 23.160 -23.421 35.136 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 23.168 -23.557 34.188 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 22.244 -23.539 35.388 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 28.098 -20.436 23.674 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 28.023 -20.557 22.728 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 28.131 -19.486 23.793 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 31.200 -21.282 20.677 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 31.575 -22.026 20.206 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 31.204 -21.552 21.595 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 30.869 -21.356 23.426 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 29.934 -21.256 23.605 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 31.149 -22.065 24.004 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 21.006 -25.905 33.469 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.223 -26.266 34.329 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 20.151 -26.279 33.259 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 28.288 -37.713 32.839 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 28.708 -38.128 33.592 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 27.355 -37.891 32.956 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 27.950 -35.220 20.124 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 27.696 -35.201 21.047 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 27.693 -36.092 19.823 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 29.249 -31.832 24.289 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 28.840 -31.017 23.997 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 29.969 -31.972 23.674 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.351 -31.657 35.777 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.788 -32.361 36.097 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 29.177 -31.777 36.244 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 29.517 -30.748 31.774 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 29.841 -31.379 31.131 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 29.077 -31.283 32.435 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.295 -34.821 26.558 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.384 -34.764 26.847 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 26.800 -34.881 27.369 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 30.700 -35.586 29.822 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 30.023 -35.455 30.486 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 30.214 -35.741 29.012 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 21.585 -27.440 35.707 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 22.318 -27.186 36.268 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 20.805 -27.236 36.222 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 27.615 -32.033 28.445 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 28.179 -32.580 27.898 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 27.467 -32.555 29.234 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 26.785 -27.432 22.544 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 26.041 -27.939 22.221 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 26.651 -27.383 23.490 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 28.911 -25.973 21.569 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 28.616 -25.147 21.951 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 28.208 -26.593 21.765 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 25.935 -30.159 35.841 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 25.639 -30.325 34.946 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 26.866 -30.379 35.831 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 24.285 -24.619 25.718 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 24.812 -23.846 25.517 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.405 -24.394 25.416 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 25.712 -26.956 25.294 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 25.471 -26.031 25.336 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.972 -27.415 25.690 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 26.227 -22.807 31.609 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 26.590 -21.952 31.376 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 26.759 -23.099 32.350 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 24.396 -21.934 24.839 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 23.446 -21.829 24.891 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.747 -21.114 25.184 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 31.974 -25.779 20.384 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 32.327 -26.159 21.188 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 31.025 -25.872 20.470 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 20.203 -23.118 31.621 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 20.420 -24.050 31.590 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 20.450 -22.844 32.505 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 29.287 -35.182 32.076 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 29.985 -35.108 32.726 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 28.906 -36.046 32.231 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 30.071 -35.530 23.173 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 30.291 -35.058 22.370 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 30.629 -35.135 23.844 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 27.740 -23.399 22.036 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 26.923 -22.902 22.089 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 28.269 -22.924 21.396 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.271 -33.802 24.008 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 28.083 -33.298 24.054 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.026 -33.947 24.922 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 27.807 -32.816 33.193 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.926 -32.242 33.950 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.462 -33.504 33.308 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 28.155 -36.721 24.946 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 27.808 -36.103 25.591 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 28.813 -36.220 24.465 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 24.011 -22.312 37.594 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 24.779 -22.771 37.935 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 23.990 -22.538 36.664 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 32.707 -22.987 19.203 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 32.990 -23.781 19.656 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 33.447 -22.754 18.642 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 19.321 -27.421 36.928 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 19.465 -28.323 36.642 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 18.548 -27.135 36.440 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 29.014 -26.030 18.796 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 28.746 -25.850 19.697 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 28.808 -26.956 18.665 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 20.153 -30.221 36.348 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 20.561 -31.078 36.227 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 19.893 -30.206 37.269 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.811 -29.105 21.366 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.352 -29.589 22.052 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.066 -29.773 20.730 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 24.100 -31.212 33.722 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 23.482 -30.537 34.003 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 24.444 -30.891 32.889 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 25.882 -30.862 19.629 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 25.702 -31.016 18.701 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 26.833 -30.754 19.673 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 24.440 -33.857 34.805 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 24.590 -34.586 34.202 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 24.442 -33.080 34.246 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.434 -30.048 32.537 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 27.185 -30.204 31.964 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 26.095 -29.196 32.261 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.918 -32.659 36.716 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 22.151 -33.191 36.506 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 23.597 -32.969 36.117 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.658 -38.031 32.729 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.560 -37.084 32.623 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.915 -38.403 32.253 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 26.922 -33.709 36.292 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 26.686 -33.929 37.194 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 26.139 -33.916 35.783 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 29.638 -34.582 35.368 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 28.690 -34.550 35.500 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 29.950 -35.207 36.022 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.880 -38.737 35.400 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 26.592 -39.377 35.386 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.779 -38.470 34.486 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.233 -37.054 37.454 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.102 -37.530 36.633 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 25.634 -36.310 37.398 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 20.539 -24.233 36.090 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 19.718 -24.058 35.630 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 20.287 -24.306 37.011 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 23.493 -23.258 32.349 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 23.068 -22.449 32.066 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 24.398 -23.173 32.047 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 23.362 -20.402 31.426 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 22.497 -20.330 31.830 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 23.307 -19.855 30.642 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 24.988 -22.199 28.810 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 25.201 -23.087 28.523 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 25.053 -22.233 29.765 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 28.497 -36.535 27.955 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 27.822 -37.164 28.210 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 29.061 -37.019 27.352 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 21.203 -29.875 49.603 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 21.245 -30.501 50.327 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 21.906 -29.252 49.785 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 18.737 -31.765 43.531 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 18.289 -30.919 43.513 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 18.176 -32.345 43.016 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 19.447 -29.603 45.657 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 19.661 -30.373 46.184 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 20.185 -29.514 45.054 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 25.296 -30.615 45.994 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 25.912 -31.141 46.503 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 24.710 -31.255 45.590 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 22.330 -35.644 50.090 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 22.111 -35.114 49.324 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 21.662 -35.417 50.738 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 19.428 -26.333 41.947 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 19.156 -26.104 41.058 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 19.473 -25.495 42.407 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 26.356 -38.338 47.543 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 26.239 -39.287 47.489 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 25.501 -38.006 47.816 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 23.674 -28.661 44.878 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 23.344 -29.031 44.059 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 24.262 -29.331 45.224 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 24.041 -29.892 48.511 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 24.606 -29.771 47.748 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 24.360 -29.255 49.150 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.664 -29.591 42.467 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.372 -28.823 41.976 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 21.990 -30.251 42.304 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.716 -32.469 49.416 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.074 -32.510 50.125 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.753 -31.543 49.178 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.713 -32.248 44.328 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.820 -32.589 44.269 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 24.164 -32.625 43.572 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 21.466 -32.149 51.283 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 21.428 -31.749 52.151 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 20.975 -32.966 51.373 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 24.832 -34.775 38.081 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 24.401 -35.220 38.811 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 24.114 -34.403 37.569 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 26.295 -34.821 45.414 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 25.384 -34.764 45.703 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 26.800 -34.881 46.225 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 24.776 -33.192 41.897 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 25.708 -33.063 42.075 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 24.561 -32.522 41.248 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 23.450 -31.997 39.464 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.908 -32.377 38.773 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 24.284 -31.803 39.035 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 27.615 -32.033 47.301 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 28.179 -32.580 46.754 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 27.467 -32.555 48.090 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 26.241 -33.645 49.715 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 25.406 -33.191 49.825 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 26.765 -33.369 50.467 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 21.910 -28.137 47.169 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.655 -28.139 46.568 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 21.988 -28.961 47.651 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 20.040 -29.757 39.161 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 20.656 -29.130 39.540 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.178 -29.441 39.432 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 20.552 -34.923 52.042 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 19.659 -34.584 51.975 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 20.453 -35.778 52.460 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 27.271 -33.802 42.864 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 28.083 -33.298 42.910 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 27.026 -33.947 43.778 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 28.155 -36.721 43.802 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 27.808 -36.103 44.447 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 28.813 -36.220 43.321 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 23.812 -35.658 40.490 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 23.729 -34.769 40.836 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 24.702 -35.923 40.721 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 20.387 -32.566 38.666 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 20.342 -31.627 38.845 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 19.499 -32.802 38.396 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 24.852 -35.487 51.153 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 25.388 -35.036 50.501 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 24.000 -35.595 50.731 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 25.658 -38.031 51.585 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 25.560 -37.084 51.479 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 24.915 -38.403 51.109 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 19.348 -25.535 38.969 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 20.262 -25.456 39.242 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 19.355 -26.222 38.302 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 18.947 -28.986 48.302 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.131 -29.068 47.367 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 19.796 -29.110 48.726 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 18.070 -32.404 48.403 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 18.562 -32.625 47.613 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 18.432 -31.563 48.684 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 18.347 -37.408 50.802 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 17.682 -37.654 51.445 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 17.904 -36.786 50.225 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 28.497 -36.535 46.811 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 27.822 -37.164 47.066 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 29.061 -37.019 46.208 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 19.561 -22.155 41.334 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 18.876 -22.193 40.666 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 19.564 -21.242 41.622 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 26.547 -35.894 41.336 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 26.725 -36.540 42.019 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 26.493 -35.060 41.803 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 21.379 -21.235 38.359 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 21.111 -20.948 39.232 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.150 -21.781 38.511 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 21.203 -11.019 -6.965 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 21.245 -11.645 -6.241 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.906 -10.396 -6.783 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 18.737 -12.909 -13.037 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 18.289 -12.063 -13.055 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.176 -13.489 -13.552 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 19.447 -10.747 -10.911 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.661 -11.517 -10.384 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 20.185 -10.658 -11.514 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.140 -13.309 -9.790 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 20.794 -13.859 -9.358 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 20.164 -13.583 -10.706 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 22.330 -16.788 -6.478 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 22.111 -16.258 -7.244 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 21.662 -16.561 -5.830 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 24.899 -9.112 -6.190 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 24.159 -8.514 -6.087 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 25.613 -8.558 -6.506 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 21.924 -14.896 -8.525 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 22.537 -14.263 -8.152 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.436 -15.368 -9.182 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 23.307 -7.148 -5.403 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 23.301 -6.269 -5.781 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 22.453 -7.231 -4.978 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 24.041 -11.036 -8.057 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 24.606 -10.915 -8.820 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 24.360 -10.399 -7.418 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 24.921 -6.637 -3.340 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 24.609 -5.855 -2.884 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 24.271 -6.790 -4.026 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 21.841 -10.439 -4.111 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.911 -9.788 -3.413 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 20.950 -10.336 -4.446 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 23.160 -4.565 -2.576 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 23.168 -4.701 -3.524 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.244 -4.683 -2.324 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.757 -8.372 -5.286 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 18.256 -8.400 -6.101 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 18.763 -9.278 -4.976 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 18.508 -5.592 -8.402 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 19.454 -5.736 -8.421 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 18.395 -4.808 -7.865 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.006 -7.049 -4.243 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 21.223 -7.410 -3.383 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 20.151 -7.423 -4.453 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.716 -13.613 -7.152 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 23.074 -13.654 -6.443 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 23.753 -12.687 -7.390 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 18.074 -16.177 -11.435 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 18.705 -16.206 -10.715 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 18.524 -16.602 -12.165 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 21.123 -14.336 -12.327 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 20.234 -14.236 -12.667 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 21.419 -15.178 -12.673 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.910 -9.281 -9.399 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 22.655 -9.283 -10.000 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 21.988 -10.105 -8.917 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 25.935 -11.303 -1.871 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 25.639 -11.469 -2.766 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 26.866 -11.523 -1.881 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 20.552 -16.067 -4.526 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 19.659 -15.728 -4.593 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 20.453 -16.922 -4.108 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 20.203 -4.262 -6.091 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 20.420 -5.194 -6.122 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 20.450 -3.988 -5.207 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.195 -18.928 -9.229 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.966 -18.869 -10.156 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 20.752 -19.720 -8.922 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 24.011 -3.456 -0.118 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 24.779 -3.915 0.223 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.990 -3.682 -1.048 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 25.976 -8.595 -1.351 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 25.648 -8.324 -2.209 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 26.128 -9.536 -1.439 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 24.100 -12.356 -3.990 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.482 -11.681 -3.709 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 24.444 -12.035 -4.823 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.440 -15.001 -2.907 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 24.590 -15.730 -3.510 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 24.442 -14.224 -3.466 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 24.852 -16.631 -5.415 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 25.388 -16.180 -6.067 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.000 -16.739 -5.837 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 22.918 -13.803 -0.996 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 22.151 -14.335 -1.206 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 23.597 -14.113 -1.595 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 21.099 -15.882 -1.291 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 21.310 -16.589 -1.902 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 20.987 -16.320 -0.447 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 18.947 -10.130 -8.266 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.131 -10.212 -9.201 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.796 -10.254 -7.842 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 19.766 -16.547 -9.234 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 20.211 -17.339 -8.932 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 20.232 -15.831 -8.803 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 20.539 -5.377 -1.622 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 19.718 -5.202 -2.082 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 20.287 -5.450 -0.701 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 20.895 -1.146 -5.316 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 20.175 -0.706 -5.767 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.529 -1.397 -4.467 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.823 -19.045 -11.935 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.046 -19.279 -12.443 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 21.354 -19.842 -11.927 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.781 -18.531 -2.418 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 20.415 -19.296 -1.975 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.694 -18.502 -2.131 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 18.737 -12.909 5.819 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 18.289 -12.063 5.801 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 18.176 -13.489 5.304 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 19.447 -10.747 7.945 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 19.661 -11.517 8.472 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 20.185 -10.658 7.342 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 20.140 -13.309 9.066 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 20.794 -13.859 9.498 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 20.164 -13.583 8.150 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 22.330 -16.788 12.378 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.111 -16.258 11.612 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 21.662 -16.561 13.026 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 21.924 -14.896 10.331 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 22.537 -14.263 10.704 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 22.436 -15.368 9.674 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 21.841 -10.439 14.745 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 21.911 -9.788 15.443 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 20.950 -10.336 14.410 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 22.664 -10.735 4.755 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 22.372 -9.967 4.264 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 21.990 -11.395 4.592 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 18.757 -8.372 13.570 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 18.256 -8.400 12.755 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 18.763 -9.278 13.880 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 21.006 -7.049 14.613 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 21.223 -7.410 15.473 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 20.151 -7.423 14.403 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 23.625 -18.579 10.609 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 22.764 -18.666 10.201 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.603 -17.723 11.036 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 28.288 -18.857 13.983 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 28.708 -19.272 14.736 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 27.355 -19.035 14.100 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 31.614 -15.101 14.837 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 31.100 -15.227 15.634 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 31.459 -14.189 14.592 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 23.716 -13.613 11.704 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 23.074 -13.654 12.413 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 23.753 -12.687 11.466 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 28.351 -12.801 16.921 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 27.788 -13.505 17.241 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 29.177 -12.921 17.388 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.466 -13.293 13.571 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 21.428 -12.893 14.439 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.975 -14.110 13.661 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 24.832 -15.919 0.369 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 24.401 -16.364 1.099 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 24.114 -15.547 -0.143 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 18.074 -16.177 7.421 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 18.705 -16.206 8.141 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 18.524 -16.602 6.691 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 19.349 -15.431 2.845 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 19.823 -14.840 2.260 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 18.631 -14.900 3.192 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 21.123 -14.336 6.529 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 20.234 -14.236 6.189 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 21.419 -15.178 6.183 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 23.450 -13.141 1.752 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 22.908 -13.521 1.061 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 24.284 -12.947 1.323 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 21.585 -8.584 16.851 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 22.318 -8.330 17.412 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 20.805 -8.380 17.366 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 26.241 -14.789 12.003 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 25.406 -14.335 12.113 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 26.765 -14.513 12.755 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 18.918 -10.820 14.772 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 19.141 -11.238 15.604 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 18.316 -11.433 14.350 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 25.935 -11.303 16.985 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 25.639 -11.469 16.090 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 26.866 -11.523 16.975 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 20.552 -16.067 14.330 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 19.659 -15.728 14.263 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 20.453 -16.922 14.748 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 26.065 -5.811 -0.025 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.304 -6.559 -0.573 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 25.796 -6.199 0.807 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 25.002 -6.241 2.431 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 25.149 -6.761 3.221 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 24.999 -5.334 2.737 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 29.287 -16.326 13.220 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 29.985 -16.252 13.870 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 28.906 -17.190 13.375 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 27.807 -13.960 14.337 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.926 -13.386 15.094 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 28.462 -14.648 14.452 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 22.071 -6.374 1.838 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 22.663 -5.675 2.114 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 22.530 -6.807 1.119 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 21.195 -18.928 9.627 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.966 -18.869 8.700 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 20.752 -19.720 9.934 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.125 -4.988 5.788 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 19.293 -4.515 5.815 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.671 -4.478 5.189 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 24.011 -3.456 18.738 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 24.779 -3.915 19.079 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 23.990 -3.682 17.808 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 19.321 -8.565 18.072 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 19.465 -9.467 17.786 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 18.548 -8.279 17.584 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 23.662 -8.221 0.204 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 23.726 -9.015 0.735 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 24.315 -8.340 -0.485 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 25.976 -8.595 17.505 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 25.648 -8.324 16.647 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 26.128 -9.536 17.417 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 24.811 -10.249 2.510 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 24.352 -10.733 3.196 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.066 -10.917 1.874 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 24.100 -12.356 14.866 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 23.482 -11.681 15.147 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 24.444 -12.035 14.033 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 25.882 -12.006 0.773 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 25.702 -12.160 -0.155 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 26.833 -11.898 0.817 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 29.120 -9.885 18.144 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 30.073 -9.801 18.116 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 28.960 -10.596 18.763 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 24.852 -16.631 13.441 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 25.388 -16.180 12.789 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 24.000 -16.739 13.019 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 26.434 -11.192 13.681 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 27.185 -11.348 13.108 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 26.095 -10.340 13.405 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 30.850 -13.377 18.709 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 31.042 -14.308 18.598 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 31.707 -12.952 18.699 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 25.658 -19.175 13.873 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 25.560 -18.228 13.767 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.915 -19.547 13.397 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 29.638 -15.726 16.512 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.690 -15.694 16.644 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 29.950 -16.351 17.166 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 31.272 -17.092 18.517 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 31.175 -18.044 18.511 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 30.950 -16.823 19.378 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 17.997 -1.286 6.334 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 17.350 -1.748 5.801 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 18.352 -1.958 6.917 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 18.947 -10.130 10.590 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 19.131 -10.212 9.655 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 19.796 -10.254 11.014 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 19.766 -16.547 9.622 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 20.211 -17.339 9.924 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 20.232 -15.831 10.053 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 18.070 -13.548 10.691 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 18.562 -13.769 9.901 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 18.432 -12.707 10.972 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 18.383 -17.290 4.746 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 17.458 -17.081 4.616 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 18.837 -16.806 4.056 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 20.539 -5.377 17.234 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 19.718 -5.202 16.774 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 20.287 -5.450 18.155 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 20.823 -19.045 6.921 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 20.046 -19.279 6.413 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 21.354 -19.842 6.929 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 19.660 -19.247 2.724 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 20.099 -18.636 2.133 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 19.026 -18.709 3.198 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 19.561 -3.299 3.622 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 18.876 -3.337 2.954 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 19.564 -2.386 3.910 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 21.521 -17.331 1.167 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 22.012 -17.961 0.639 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 22.144 -17.035 1.830 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 21.379 -2.379 0.647 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 21.111 -2.092 1.520 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 22.150 -2.925 0.799 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 31.176 -19.848 18.156 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 31.252 -20.274 19.010 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 32.069 -19.834 17.814 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 29.902 -9.889 25.735 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 29.991 -8.945 25.603 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 29.263 -10.164 25.077 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 32.541 -7.695 27.456 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 32.100 -8.415 27.906 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 32.528 -6.974 28.086 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 22.127 -6.569 29.282 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 21.757 -7.371 28.913 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 23.068 -6.738 29.329 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 29.652 -2.590 27.668 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 30.272 -3.267 27.395 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 29.444 -2.808 28.576 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 30.365 -13.807 29.888 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 30.508 -14.754 29.908 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 30.259 -13.600 28.959 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 31.242 -15.575 25.561 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 31.888 -15.904 26.186 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 31.752 -15.057 24.938 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 29.699 -7.288 24.778 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 29.403 -7.610 23.927 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 29.375 -6.388 24.820 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 23.307 -7.148 32.309 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 23.301 -6.269 31.931 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 22.453 -7.231 32.734 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.356 -19.482 28.687 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.239 -20.431 28.633 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 25.501 -19.150 28.960 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 28.623 -10.645 23.187 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 27.911 -10.110 22.836 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 29.314 -10.589 22.527 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 28.677 -12.187 20.226 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 29.378 -12.165 20.877 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 28.979 -12.815 19.570 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 32.029 -10.435 24.139 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 31.297 -10.207 24.712 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 32.476 -11.149 24.594 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 31.926 -12.261 33.207 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 32.006 -11.498 33.779 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 31.325 -11.982 32.516 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 30.350 -5.533 30.389 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 30.109 -4.871 31.037 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 30.152 -6.367 30.814 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 24.921 -6.637 34.372 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 24.609 -5.855 34.828 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 24.271 -6.790 33.686 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 28.626 -4.536 25.259 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 29.100 -4.241 26.037 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 28.063 -3.798 25.026 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 23.160 -4.565 35.136 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 23.168 -4.701 34.188 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 22.244 -4.683 35.388 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 18.508 -5.592 29.310 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 19.454 -5.736 29.291 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 18.395 -4.808 29.847 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 27.684 -5.352 33.868 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 27.771 -4.526 34.343 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 26.820 -5.682 34.117 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 21.006 -7.049 33.469 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 21.223 -7.410 34.329 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.151 -7.423 33.259 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 23.625 -18.579 29.465 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 22.764 -18.666 29.057 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 23.603 -17.723 29.892 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 28.288 -18.857 32.839 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 28.708 -19.272 33.592 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 27.355 -19.035 32.956 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 29.249 -12.976 24.289 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 28.840 -12.161 23.997 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 29.969 -13.116 23.674 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 28.351 -12.801 35.777 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 27.788 -13.505 36.097 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 29.177 -12.921 36.244 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 30.253 -13.530 27.103 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 30.058 -12.925 26.388 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 30.435 -14.364 26.668 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 29.517 -11.892 31.774 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 29.841 -12.523 31.131 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 29.077 -12.427 32.435 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 26.295 -15.965 26.558 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 25.384 -15.908 26.847 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 26.800 -16.025 27.369 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 21.585 -8.584 35.707 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 22.318 -8.330 36.268 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 20.805 -8.380 36.222 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 26.241 -14.789 30.859 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 25.406 -14.335 30.969 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 26.765 -14.513 31.611 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 26.785 -8.576 22.544 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 26.041 -9.083 22.221 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 26.651 -8.527 23.490 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 30.683 -15.762 20.743 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 29.745 -15.650 20.592 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 30.980 -14.905 21.049 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 28.305 -8.392 33.781 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 27.959 -8.773 34.587 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 28.105 -7.458 33.852 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 31.401 -13.895 22.404 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 32.293 -14.032 22.723 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 31.458 -13.104 21.867 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 28.911 -7.117 21.569 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 28.616 -6.291 21.951 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 28.208 -7.737 21.765 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 25.935 -11.303 35.841 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 25.639 -11.469 34.946 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 26.866 -11.523 35.831 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 30.555 -5.930 33.731 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 29.654 -5.747 33.463 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 30.589 -5.671 34.652 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 31.742 -10.091 29.585 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 30.814 -10.323 29.558 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 32.193 -10.868 29.255 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 24.285 -5.763 25.718 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 24.812 -4.990 25.517 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 23.405 -5.538 25.416 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 26.227 -3.951 31.609 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 26.590 -3.096 31.376 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 26.759 -4.243 32.350 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 24.396 -3.078 24.839 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 23.446 -2.973 24.891 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 24.747 -2.258 25.184 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 29.771 -7.852 31.310 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 29.345 -8.079 32.136 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 30.352 -8.590 31.127 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 20.203 -4.262 31.621 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 20.420 -5.194 31.590 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 20.450 -3.988 32.505 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 26.065 -5.811 18.831 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 26.304 -6.559 18.283 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 25.796 -6.199 19.663 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 25.002 -6.241 21.287 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 25.149 -6.761 22.077 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 24.999 -5.334 21.593 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 29.287 -16.326 32.076 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 29.985 -16.252 32.726 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 28.906 -17.190 32.231 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 30.071 -16.674 23.173 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 30.291 -16.202 22.370 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 30.629 -16.279 23.844 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 27.271 -14.946 24.008 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 28.083 -14.442 24.054 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 27.026 -15.091 24.922 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 27.807 -13.960 33.193 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 27.926 -13.386 33.950 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 28.462 -14.648 33.308 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 28.155 -17.865 24.946 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 27.808 -17.247 25.591 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 28.813 -17.364 24.465 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 25.078 -3.500 22.018 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 25.239 -2.700 21.517 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 24.881 -3.193 22.903 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 32.613 -12.302 28.124 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 31.816 -12.717 27.795 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 33.058 -12.993 28.615 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 22.071 -6.374 20.694 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 22.663 -5.675 20.970 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 22.530 -6.807 19.975 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 20.125 -4.988 24.644 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 19.293 -4.515 24.671 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 20.671 -4.478 24.045 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 19.321 -8.565 36.928 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 19.465 -9.467 36.642 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 18.548 -8.279 36.440 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 23.662 -8.221 19.060 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 23.726 -9.015 19.591 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 24.315 -8.340 18.371 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 25.976 -8.595 36.361 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 25.648 -8.324 35.503 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 26.128 -9.536 36.273 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 31.711 -8.679 33.744 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 32.456 -8.091 33.624 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 30.954 -8.097 33.807 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 25.882 -12.006 19.629 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 25.702 -12.160 18.701 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 26.833 -11.898 19.673 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 25.658 -19.175 32.729 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 25.560 -18.228 32.623 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 24.915 -19.547 32.253 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 26.922 -14.853 36.292 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 26.686 -15.073 37.194 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 26.139 -15.060 35.783 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 21.099 -15.882 36.421 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 21.310 -16.589 35.810 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 20.987 -16.320 37.265 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 25.880 -19.881 35.400 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 26.592 -20.521 35.386 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 25.779 -19.614 34.486 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 26.233 -18.198 37.454 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 26.102 -18.674 36.633 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 25.634 -17.454 37.398 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 19.348 -6.679 20.113 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 20.262 -6.600 20.386 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 19.355 -7.366 19.446 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 20.539 -5.377 36.090 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 19.718 -5.202 35.630 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 20.287 -5.450 37.011 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 23.493 -4.402 32.349 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 23.068 -3.593 32.066 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 24.398 -4.317 32.047 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 22.451 -3.813 27.962 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 22.232 -4.729 28.131 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 23.275 -3.673 28.428 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 24.988 -3.343 28.810 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 25.201 -4.231 28.523 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 25.053 -3.377 29.765 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 28.497 -17.679 27.955 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 27.822 -18.308 28.210 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 29.061 -18.163 27.352 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 25.403 -19.118 25.590 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 26.277 -18.730 25.560 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 25.267 -19.333 26.513 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 32.313 -19.062 22.932 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 31.610 -18.448 22.722 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 31.868 -19.900 23.063 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 19.561 -3.299 22.478 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 18.876 -3.337 21.810 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 19.564 -2.386 22.766 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 22.754 -19.180 36.830 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 23.653 -19.454 36.645 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 22.368 -19.923 37.294 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 24.832 -15.919 38.081 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 24.401 -16.364 38.811 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 24.114 -15.547 37.569 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 19.349 -15.431 40.557 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 19.823 -14.840 39.972 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 18.631 -14.900 40.904 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 23.450 -13.141 39.464 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 22.908 -13.521 38.773 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 24.284 -12.947 39.035 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 20.040 -10.901 39.161 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 20.656 -10.274 39.540 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 19.178 -10.585 39.432 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 21.455 -8.988 40.653 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 20.769 -8.636 41.220 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 21.978 -8.225 40.407 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 20.387 -13.710 38.666 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 20.342 -12.771 38.845 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 19.499 -13.946 38.396 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 23.662 -8.221 37.916 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 23.726 -9.015 38.447 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 24.315 -8.340 37.227 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 24.811 -10.249 40.222 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 24.352 -10.733 40.908 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 25.066 -10.917 39.586 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 25.882 -12.006 38.485 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 25.702 -12.160 37.557 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 26.833 -11.898 38.529 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 18.383 -17.290 42.458 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 17.458 -17.081 42.328 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 18.837 -16.806 41.768 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 19.660 -19.247 40.436 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 20.099 -18.636 39.845 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 19.026 -18.709 40.910 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 21.521 -17.331 38.879 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 22.012 -17.961 38.351 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 22.144 -17.035 39.542 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 18.347 0.304 -5.766 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 17.682 0.058 -5.123 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 17.904 0.926 -6.343 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 20.781 0.325 -2.418 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 20.415 -0.440 -1.975 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 21.694 0.354 -2.131 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 22.754 -0.324 -0.882 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 23.653 -0.598 -1.067 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 22.368 -1.067 -0.418 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 19.660 -0.391 2.724 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 20.099 0.220 2.133 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 19.026 0.147 3.198 0.00 0.00 WAT1 END