REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:32:40 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -8.256 1.915 0.778 1.00 0.52 ATOM 2 CB MET 1 -7.881 0.106 1.859 1.00 5.01 ATOM 3 HB1 MET 1 -6.857 0.006 1.519 1.00 38.53 ATOM 4 HB2 MET 1 -8.318 -0.876 1.931 1.00 45.32 ATOM 5 CG MET 1 -7.872 0.714 3.252 1.00 12.12 ATOM 6 HG1 MET 1 -7.466 -0.018 3.935 1.00 38.53 ATOM 7 HG2 MET 1 -8.881 0.945 3.551 1.00 23.11 ATOM 8 SD MET 1 -6.860 2.203 3.354 1.00 34.02 ATOM 9 CE MET 1 -7.761 3.141 4.586 1.00 74.04 ATOM 10 HE1 MET 1 -7.262 4.083 4.757 1.00 31.25 ATOM 11 HE2 MET 1 -7.799 2.581 5.508 1.00 24.00 ATOM 12 HE3 MET 1 -8.766 3.325 4.235 1.00 12.01 ATOM 13 C MET 1 -8.582 0.272 -0.537 1.00 0.45 ATOM 14 O MET 1 -9.581 -0.193 -1.083 1.00 63.53 ATOM 15 N MET 1 -10.067 1.045 1.263 1.00 43.22 ATOM 16 HT1 MET 1 -10.141 1.636 2.114 1.00 38.53 ATOM 17 HT2 MET 1 -10.476 0.108 1.469 1.00 38.53 ATOM 18 HT3 MET 1 -10.636 1.493 0.511 1.00 38.53 ATOM 19 CA MET 1 -8.676 0.923 0.840 1.00 54.43 ATOM 20 N GLY 2 -7.374 0.244 -1.092 1.00 0.24 ATOM 21 HN GLY 2 -6.604 0.630 -0.616 1.00 38.53 ATOM 22 CA GLY 2 -7.172 -0.351 -2.399 1.00 73.55 ATOM 23 HA1 GLY 2 -6.290 0.087 -2.842 1.00 38.53 ATOM 24 HA2 GLY 2 -8.021 -0.136 -3.037 1.00 11.23 ATOM 25 C GLY 2 -6.979 -1.853 -2.329 1.00 74.31 ATOM 26 O GLY 2 -7.272 -2.570 -3.287 1.00 0.20 ATOM 27 N HIS 3 -6.484 -2.332 -1.192 1.00 61.13 ATOM 28 HN HIS 3 -6.247 -1.726 -0.457 1.00 38.53 ATOM 29 CA HIS 3 -6.251 -3.759 -1.001 1.00 60.31 ATOM 30 HA HIS 3 -5.834 -3.898 -0.015 1.00 44.13 ATOM 31 CB HIS 3 -7.568 -4.530 -1.097 1.00 11.25 ATOM 32 HB1 HIS 3 -7.403 -5.542 -0.757 1.00 38.53 ATOM 33 HB2 HIS 3 -7.906 -4.557 -2.124 1.00 73.55 ATOM 34 CG HIS 3 -8.667 -3.943 -0.264 1.00 63.44 ATOM 35 ND1 HIS 3 -8.537 -3.693 1.085 1.00 20.34 ATOM 36 HD1 HIS 3 -7.738 -3.867 1.625 1.00 41.34 ATOM 37 CD2 HIS 3 -9.920 -3.556 -0.599 1.00 2.44 ATOM 38 HD2 HIS 3 -10.366 -3.609 -1.582 1.00 20.34 ATOM 39 CE1 HIS 3 -9.663 -3.179 1.546 1.00 52.22 ATOM 40 HE1 HIS 3 -9.852 -2.885 2.568 1.00 1.42 ATOM 41 NE2 HIS 3 -10.518 -3.084 0.544 1.00 75.32 ATOM 42 HE2 HIS 3 -11.396 -2.651 0.590 1.00 38.53 ATOM 43 C HIS 3 -5.261 -4.291 -2.033 1.00 22.22 ATOM 44 O HIS 3 -5.481 -5.342 -2.635 1.00 61.52 ATOM 45 N HIS 4 -4.170 -3.558 -2.232 1.00 51.02 ATOM 46 HN HIS 4 -4.041 -2.725 -1.719 1.00 38.53 ATOM 47 CA HIS 4 -3.146 -3.956 -3.192 1.00 31.24 ATOM 48 HA HIS 4 -3.566 -4.683 -3.880 1.00 11.22 ATOM 49 CB HIS 4 -2.666 -2.744 -3.990 1.00 1.44 ATOM 50 HB1 HIS 4 -1.673 -2.934 -4.383 1.00 38.53 ATOM 51 HB2 HIS 4 -2.624 -1.881 -3.341 1.00 0.55 ATOM 52 CG HIS 4 -3.546 -2.406 -5.154 1.00 0.15 ATOM 53 ND1 HIS 4 -3.590 -3.160 -6.307 1.00 42.55 ATOM 54 HD1 HIS 4 -3.067 -3.970 -6.482 1.00 22.31 ATOM 55 CD2 HIS 4 -4.420 -1.389 -5.337 1.00 35.15 ATOM 56 HD2 HIS 4 -4.643 -0.601 -4.632 1.00 3.34 ATOM 57 CE1 HIS 4 -4.452 -2.620 -7.151 1.00 1.14 ATOM 58 HE1 HIS 4 -4.693 -2.995 -8.135 1.00 41.14 ATOM 59 NE2 HIS 4 -4.970 -1.545 -6.585 1.00 52.53 ATOM 60 HE2 HIS 4 -5.571 -0.908 -7.026 1.00 38.53 ATOM 61 C HIS 4 -1.965 -4.614 -2.484 1.00 74.41 ATOM 62 O HIS 4 -1.265 -5.444 -3.065 1.00 23.14 ATOM 63 N HIS 5 -1.750 -4.238 -1.227 1.00 72.44 ATOM 64 HN HIS 5 -2.323 -3.555 -0.813 1.00 38.53 ATOM 65 CA HIS 5 -0.654 -4.792 -0.441 1.00 21.33 ATOM 66 HA HIS 5 0.275 -4.552 -0.943 1.00 24.44 ATOM 67 CB HIS 5 -0.640 -4.176 0.958 1.00 1.04 ATOM 68 HB1 HIS 5 0.046 -4.726 1.591 1.00 38.53 ATOM 69 HB2 HIS 5 -1.632 -4.234 1.379 1.00 43.41 ATOM 70 CG HIS 5 -0.216 -2.740 0.976 1.00 53.50 ATOM 71 ND1 HIS 5 -1.100 -1.697 1.159 1.00 44.53 ATOM 72 HD1 HIS 5 -2.067 -1.782 1.292 1.00 35.04 ATOM 73 CD2 HIS 5 1.006 -2.175 0.834 1.00 72.10 ATOM 74 HD2 HIS 5 1.939 -2.697 0.674 1.00 10.24 ATOM 75 CE1 HIS 5 -0.439 -0.553 1.127 1.00 55.35 ATOM 76 HE1 HIS 5 -0.872 0.430 1.243 1.00 45.20 ATOM 77 NE2 HIS 5 0.840 -0.815 0.931 1.00 21.42 ATOM 78 HE2 HIS 5 1.536 -0.144 0.771 1.00 38.53 ATOM 79 C HIS 5 -0.770 -6.310 -0.340 1.00 34.23 ATOM 80 O HIS 5 0.211 -7.032 -0.519 1.00 41.23 ATOM 81 N HIS 6 -1.977 -6.788 -0.050 1.00 65.44 ATOM 82 HN HIS 6 -2.724 -6.162 0.107 1.00 38.53 ATOM 83 CA HIS 6 -2.221 -8.221 0.075 1.00 52.13 ATOM 84 HA HIS 6 -1.629 -8.736 -0.674 1.00 21.03 ATOM 85 CB HIS 6 -1.797 -8.713 1.459 1.00 54.01 ATOM 86 HB1 HIS 6 -0.719 -8.683 1.522 1.00 38.53 ATOM 87 HB2 HIS 6 -2.128 -9.733 1.603 1.00 13.30 ATOM 88 CG HIS 6 -2.344 -7.886 2.582 1.00 62.02 ATOM 89 ND1 HIS 6 -1.554 -7.085 3.380 1.00 34.41 ATOM 90 HD1 HIS 6 -0.583 -6.976 3.300 1.00 40.43 ATOM 91 CD2 HIS 6 -3.610 -7.737 3.037 1.00 62.10 ATOM 92 HD2 HIS 6 -4.494 -8.219 2.643 1.00 20.42 ATOM 93 CE1 HIS 6 -2.311 -6.481 4.279 1.00 61.22 ATOM 94 HE1 HIS 6 -1.965 -5.794 5.037 1.00 23.52 ATOM 95 NE2 HIS 6 -3.563 -6.859 4.092 1.00 65.21 ATOM 96 HE2 HIS 6 -4.314 -6.635 4.680 1.00 38.53 ATOM 97 C HIS 6 -3.693 -8.544 -0.164 1.00 51.43 ATOM 98 O HIS 6 -4.572 -7.727 0.116 1.00 63.51 ATOM 99 N HIS 7 -3.955 -9.738 -0.685 1.00 31.43 ATOM 100 HN HIS 7 -3.213 -10.360 -0.861 1.00 38.53 ATOM 101 CA HIS 7 -5.321 -10.169 -0.962 1.00 1.23 ATOM 102 HA HIS 7 -5.999 -9.340 -0.803 1.00 34.01 ATOM 103 CB HIS 7 -5.451 -10.619 -2.417 1.00 50.22 ATOM 104 HB1 HIS 7 -5.378 -9.749 -3.055 1.00 38.53 ATOM 105 HB2 HIS 7 -6.416 -11.086 -2.571 1.00 63.41 ATOM 106 CG HIS 7 -4.394 -11.592 -2.840 1.00 1.10 ATOM 107 ND1 HIS 7 -4.148 -12.773 -2.172 1.00 60.15 ATOM 108 HD1 HIS 7 -4.629 -13.108 -1.395 1.00 52.30 ATOM 109 CD2 HIS 7 -3.517 -11.554 -3.871 1.00 34.42 ATOM 110 HD2 HIS 7 -3.426 -10.767 -4.607 1.00 62.22 ATOM 111 CE1 HIS 7 -3.165 -13.419 -2.773 1.00 62.33 ATOM 112 HE1 HIS 7 -2.758 -14.373 -2.471 1.00 13.44 ATOM 113 NE2 HIS 7 -2.765 -12.701 -3.807 1.00 62.32 ATOM 114 HE2 HIS 7 -1.990 -12.906 -4.371 1.00 38.53 ATOM 115 C HIS 7 -5.733 -11.302 -0.028 1.00 34.44 ATOM 116 O HIS 7 -4.895 -11.901 0.647 1.00 1.22 ATOM 117 N HIS 8 -7.030 -11.592 0.007 1.00 33.02 ATOM 118 HN HIS 8 -7.653 -11.096 -0.571 1.00 38.53 ATOM 119 CA HIS 8 -7.554 -12.654 0.859 1.00 0.10 ATOM 120 HA HIS 8 -6.740 -13.114 1.405 1.00 54.25 ATOM 121 CB HIS 8 -8.548 -12.082 1.871 1.00 45.14 ATOM 122 HB1 HIS 8 -7.997 -11.519 2.611 1.00 38.53 ATOM 123 HB2 HIS 8 -9.076 -12.884 2.370 1.00 60.24 ATOM 124 CG HIS 8 -9.562 -11.165 1.261 1.00 55.15 ATOM 125 ND1 HIS 8 -10.458 -11.570 0.294 1.00 73.32 ATOM 126 HD1 HIS 8 -10.541 -12.472 -0.072 1.00 34.40 ATOM 127 CD2 HIS 8 -9.822 -9.856 1.486 1.00 4.31 ATOM 128 HD2 HIS 8 -9.309 -9.213 2.187 1.00 24.23 ATOM 129 CE1 HIS 8 -11.223 -10.550 -0.050 1.00 54.21 ATOM 130 HE1 HIS 8 -12.014 -10.573 -0.785 1.00 43.53 ATOM 131 NE2 HIS 8 -10.858 -9.497 0.659 1.00 22.33 ATOM 132 HE2 HIS 8 -11.327 -8.637 0.675 1.00 38.53 ATOM 133 C HIS 8 -8.228 -13.738 0.023 1.00 21.14 ATOM 134 O HIS 8 -9.299 -14.231 0.376 1.00 54.20 ATOM 135 N SER 9 -7.593 -14.104 -1.085 1.00 71.25 ATOM 136 HN SER 9 -6.729 -13.696 -1.315 1.00 38.53 ATOM 137 CA SER 9 -8.134 -15.127 -1.974 1.00 4.43 ATOM 138 HA SER 9 -9.124 -15.412 -1.635 1.00 1.12 ATOM 139 CB SER 9 -8.260 -14.581 -3.397 1.00 41.42 ATOM 140 HB1 SER 9 -7.313 -14.161 -3.703 1.00 38.53 ATOM 141 HB2 SER 9 -9.018 -13.812 -3.420 1.00 22.52 ATOM 142 OG SER 9 -8.620 -15.606 -4.307 1.00 23.03 ATOM 143 HG SER 9 -9.566 -15.765 -4.257 1.00 40.44 ATOM 144 C SER 9 -7.251 -16.371 -1.971 1.00 3.25 ATOM 145 O SER 9 -6.359 -16.516 -2.807 1.00 42.52 ATOM 146 N HIS 10 -7.506 -17.267 -1.023 1.00 21.41 ATOM 147 HN HIS 10 -8.230 -17.105 -0.376 1.00 38.53 ATOM 148 CA HIS 10 -6.735 -18.501 -0.910 1.00 14.32 ATOM 149 HA HIS 10 -7.029 -18.996 0.003 1.00 53.50 ATOM 150 CB HIS 10 -7.049 -19.432 -2.081 1.00 42.03 ATOM 151 HB1 HIS 10 -6.598 -20.396 -1.896 1.00 38.53 ATOM 152 HB2 HIS 10 -6.639 -19.017 -2.992 1.00 11.45 ATOM 153 CG HIS 10 -8.515 -19.645 -2.302 1.00 1.52 ATOM 154 ND1 HIS 10 -9.220 -20.679 -1.725 1.00 74.41 ATOM 155 HD1 HIS 10 -8.848 -21.363 -1.130 1.00 10.22 ATOM 156 CD2 HIS 10 -9.409 -18.947 -3.040 1.00 14.30 ATOM 157 HD2 HIS 10 -9.203 -18.066 -3.631 1.00 22.24 ATOM 158 CE1 HIS 10 -10.485 -20.610 -2.100 1.00 72.04 ATOM 159 HE1 HIS 10 -11.270 -21.290 -1.803 1.00 64.52 ATOM 160 NE2 HIS 10 -10.626 -19.567 -2.898 1.00 54.13 ATOM 161 HE2 HIS 10 -11.442 -19.339 -3.391 1.00 38.53 ATOM 162 C HIS 10 -5.239 -18.205 -0.866 1.00 53.53 ATOM 163 O HIS 10 -4.501 -18.474 -1.814 1.00 3.42 ATOM 164 N PRO 11 -4.780 -17.636 0.259 1.00 75.32 ATOM 165 CA PRO 11 -3.369 -17.291 0.453 1.00 70.15 ATOM 166 HA PRO 11 -2.996 -16.677 -0.354 1.00 44.40 ATOM 167 CB PRO 11 -3.377 -16.482 1.752 1.00 40.22 ATOM 168 HB1 PRO 11 -3.452 -15.431 1.517 1.00 38.53 ATOM 169 HB2 PRO 11 -2.476 -16.659 2.323 1.00 74.41 ATOM 170 CG PRO 11 -4.587 -16.952 2.483 1.00 4.25 ATOM 171 HG1 PRO 11 -4.958 -16.166 3.124 1.00 38.53 ATOM 172 HG2 PRO 11 -4.347 -17.829 3.065 1.00 12.54 ATOM 173 CD PRO 11 -5.604 -17.288 1.429 1.00 52.34 ATOM 174 HD1 PRO 11 -6.230 -16.433 1.221 1.00 38.53 ATOM 175 HD2 PRO 11 -6.202 -18.127 1.750 1.00 52.22 ATOM 176 C PRO 11 -2.485 -18.525 0.599 1.00 72.01 ATOM 177 O PRO 11 -2.979 -19.650 0.658 1.00 31.12 ATOM 178 N ASN 12 -1.176 -18.306 0.657 1.00 4.31 ATOM 179 HN ASN 12 -0.840 -17.378 0.615 1.00 38.53 ATOM 180 CA ASN 12 -0.223 -19.401 0.797 1.00 43.14 ATOM 181 HA ASN 12 -0.508 -20.190 0.107 1.00 71.03 ATOM 182 CB ASN 12 1.189 -18.924 0.449 1.00 52.04 ATOM 183 HB1 ASN 12 1.913 -19.647 0.808 1.00 38.53 ATOM 184 HB2 ASN 12 1.370 -17.975 0.932 1.00 31.54 ATOM 185 CG ASN 12 1.386 -18.742 -1.044 1.00 10.11 ATOM 186 OD1 ASN 12 0.548 -18.151 -1.725 1.00 15.14 ATOM 187 ND2 ASN 12 2.499 -19.251 -1.560 1.00 13.21 ATOM 188 HD21 ASN 12 3.136 -19.714 -0.970 1.00 54.14 ATOM 189 HD22 ASN 12 2.644 -19.144 -2.523 1.00 51.13 ATOM 190 C ASN 12 -0.246 -19.965 2.214 1.00 50.00 ATOM 191 O ASN 12 -0.582 -19.262 3.166 1.00 2.13 ATOM 192 N GLU 13 0.114 -21.238 2.344 1.00 33.15 ATOM 193 HN GLU 13 0.370 -21.752 1.540 1.00 38.53 ATOM 194 CA GLU 13 0.134 -21.896 3.646 1.00 73.14 ATOM 195 HA GLU 13 -0.877 -21.973 4.002 1.00 1.10 ATOM 196 CB GLU 13 0.721 -23.303 3.521 1.00 21.53 ATOM 197 HB1 GLU 13 1.658 -23.242 2.986 1.00 38.53 ATOM 198 HB2 GLU 13 0.033 -23.915 2.955 1.00 64.21 ATOM 199 CG GLU 13 0.977 -23.977 4.859 1.00 14.33 ATOM 200 HG1 GLU 13 0.050 -24.021 5.411 1.00 38.53 ATOM 201 HG2 GLU 13 1.701 -23.403 5.417 1.00 23.42 ATOM 202 CD GLU 13 1.517 -25.386 4.710 1.00 40.44 ATOM 203 OE1 GLU 13 1.038 -26.112 3.814 1.00 70.03 ATOM 204 OE2 GLU 13 2.418 -25.762 5.488 1.00 40.21 ATOM 205 C GLU 13 0.941 -21.083 4.654 1.00 71.41 ATOM 206 O GLU 13 0.483 -20.825 5.766 1.00 30.24 ATOM 207 N GLU 14 2.145 -20.684 4.255 1.00 33.33 ATOM 208 HN GLU 14 2.456 -20.918 3.348 1.00 38.53 ATOM 209 CA GLU 14 3.016 -19.902 5.125 1.00 61.54 ATOM 210 HA GLU 14 3.113 -20.425 6.068 1.00 54.24 ATOM 211 CB GLU 14 4.404 -19.760 4.497 1.00 5.03 ATOM 212 HB1 GLU 14 5.024 -19.150 5.142 1.00 38.53 ATOM 213 HB2 GLU 14 4.302 -19.267 3.539 1.00 34.13 ATOM 214 CG GLU 14 5.113 -21.086 4.280 1.00 24.34 ATOM 215 HG1 GLU 14 4.472 -21.736 3.700 1.00 38.53 ATOM 216 HG2 GLU 14 5.304 -21.538 5.242 1.00 61.42 ATOM 217 CD GLU 14 6.431 -20.930 3.546 1.00 21.34 ATOM 218 OE1 GLU 14 6.458 -20.223 2.518 1.00 73.34 ATOM 219 OE2 GLU 14 7.436 -21.516 4.002 1.00 40.42 ATOM 220 C GLU 14 2.422 -18.522 5.391 1.00 23.21 ATOM 221 O GLU 14 2.665 -17.922 6.438 1.00 41.04 ATOM 222 N ALA 15 1.643 -18.025 4.436 1.00 63.31 ATOM 223 HN ALA 15 1.511 -18.528 3.606 1.00 38.53 ATOM 224 CA ALA 15 1.014 -16.717 4.567 1.00 34.32 ATOM 225 HA ALA 15 1.780 -15.993 4.818 1.00 51.32 ATOM 226 CB ALA 15 0.391 -16.296 3.244 1.00 3.02 ATOM 227 HB1 ALA 15 0.065 -15.269 3.312 1.00 1.31 ATOM 228 HB2 ALA 15 -0.453 -16.923 3.016 1.00 25.32 ATOM 229 HB3 ALA 15 1.126 -16.385 2.458 1.00 70.14 ATOM 230 C ALA 15 -0.039 -16.723 5.671 1.00 44.11 ATOM 231 O ALA 15 -0.048 -15.848 6.537 1.00 21.11 ATOM 232 N ARG 16 -0.924 -17.713 5.633 1.00 21.41 ATOM 233 HN ARG 16 -0.867 -18.364 4.900 1.00 38.53 ATOM 234 CA ARG 16 -1.982 -17.831 6.629 1.00 22.14 ATOM 235 HA ARG 16 -2.473 -16.881 6.704 1.00 51.12 ATOM 236 CB ARG 16 -3.008 -18.879 6.193 1.00 0.54 ATOM 237 HB1 ARG 16 -3.539 -18.500 5.331 1.00 38.53 ATOM 238 HB2 ARG 16 -3.719 -19.033 6.997 1.00 50.25 ATOM 239 CG ARG 16 -2.391 -20.215 5.816 1.00 30.41 ATOM 240 HG1 ARG 16 -1.692 -20.515 6.574 1.00 38.53 ATOM 241 HG2 ARG 16 -1.893 -20.130 4.874 1.00 13.35 ATOM 242 CD ARG 16 -3.447 -21.304 5.703 1.00 42.03 ATOM 243 HD1 ARG 16 -3.805 -21.527 6.696 1.00 38.53 ATOM 244 HD2 ARG 16 -3.003 -22.194 5.283 1.00 53.14 ATOM 245 NE ARG 16 -4.586 -20.879 4.894 1.00 71.32 ATOM 246 HE ARG 16 -5.386 -20.566 5.371 1.00 22.31 ATOM 247 CZ ARG 16 -4.591 -20.896 3.566 1.00 53.14 ATOM 248 NH1 ARG 16 -3.523 -21.314 2.900 1.00 35.44 ATOM 249 HH11 ARG 16 -2.707 -21.618 3.367 1.00 13.13 ATOM 250 HH12 ARG 16 -3.539 -21.324 1.898 1.00 34.12 ATOM 251 NH2 ARG 16 -5.667 -20.494 2.900 1.00 5.10 ATOM 252 HH21 ARG 16 -6.478 -20.177 3.397 1.00 15.11 ATOM 253 HH22 ARG 16 -5.673 -20.506 1.898 1.00 54.44 ATOM 254 C ARG 16 -1.406 -18.204 7.992 1.00 21.03 ATOM 255 O ARG 16 -1.916 -17.781 9.031 1.00 73.53 ATOM 256 N LEU 17 -0.341 -18.998 7.981 1.00 31.15 ATOM 257 HN LEU 17 0.025 -19.313 7.122 1.00 38.53 ATOM 258 CA LEU 17 0.305 -19.429 9.217 1.00 73.04 ATOM 259 HA LEU 17 -0.431 -19.940 9.822 1.00 4.13 ATOM 260 CB LEU 17 1.445 -20.401 8.907 1.00 14.02 ATOM 261 HB1 LEU 17 1.992 -20.013 8.057 1.00 38.53 ATOM 262 HB2 LEU 17 1.006 -21.348 8.623 1.00 42.23 ATOM 263 CG LEU 17 2.441 -20.649 10.040 1.00 30.41 ATOM 264 HG LEU 17 2.917 -19.724 10.310 1.00 12.34 ATOM 265 CD1 LEU 17 1.728 -21.192 11.269 1.00 72.12 ATOM 266 HD11 LEU 17 1.109 -22.032 10.992 1.00 31.31 ATOM 267 HD12 LEU 17 1.116 -20.424 11.708 1.00 72.25 ATOM 268 HD13 LEU 17 2.462 -21.509 11.974 1.00 52.41 ATOM 269 CD2 LEU 17 3.534 -21.608 9.589 1.00 53.52 ATOM 270 HD21 LEU 17 3.099 -22.461 9.094 1.00 61.21 ATOM 271 HD22 LEU 17 4.112 -21.944 10.439 1.00 50.21 ATOM 272 HD23 LEU 17 4.188 -21.096 8.899 1.00 20.11 ATOM 273 C LEU 17 0.839 -18.233 9.998 1.00 40.23 ATOM 274 O LEU 17 0.663 -18.144 11.213 1.00 44.40 ATOM 275 N ASP 18 1.490 -17.315 9.292 1.00 52.24 ATOM 276 HN ASP 18 1.612 -17.448 8.322 1.00 38.53 ATOM 277 CA ASP 18 2.047 -16.122 9.918 1.00 41.40 ATOM 278 HA ASP 18 2.831 -16.449 10.586 1.00 64.31 ATOM 279 CB ASP 18 2.626 -15.185 8.856 1.00 30.31 ATOM 280 HB1 ASP 18 1.865 -14.498 8.507 1.00 38.53 ATOM 281 HB2 ASP 18 2.977 -15.771 8.017 1.00 24.33 ATOM 282 CG ASP 18 3.800 -14.378 9.374 1.00 22.20 ATOM 283 OD1 ASP 18 4.603 -14.933 10.153 1.00 42.32 ATOM 284 OD2 ASP 18 3.916 -13.192 9.001 1.00 14.32 ATOM 285 C ASP 18 0.986 -15.391 10.735 1.00 40.44 ATOM 286 O ASP 18 1.285 -14.803 11.774 1.00 2.53 ATOM 287 N ILE 19 -0.253 -15.431 10.256 1.00 10.04 ATOM 288 HN ILE 19 -0.434 -15.917 9.422 1.00 38.53 ATOM 289 CA ILE 19 -1.358 -14.772 10.942 1.00 22.53 ATOM 290 HA ILE 19 -1.131 -13.714 11.006 1.00 12.01 ATOM 291 CB ILE 19 -2.679 -14.939 10.169 1.00 15.33 ATOM 292 HB ILE 19 -2.908 -15.986 10.119 1.00 32.01 ATOM 293 CG1 ILE 19 -2.541 -14.379 8.752 1.00 4.01 ATOM 294 HG11 ILE 19 -1.608 -14.694 8.312 1.00 38.53 ATOM 295 HG12 ILE 19 -2.559 -13.299 8.785 1.00 73.42 ATOM 296 CG2 ILE 19 -3.816 -14.248 10.908 1.00 2.05 ATOM 297 HG21 ILE 19 -4.094 -14.841 11.761 1.00 23.33 ATOM 298 HG22 ILE 19 -4.677 -14.150 10.259 1.00 64.12 ATOM 299 HG23 ILE 19 -3.506 -13.265 11.237 1.00 51.30 ATOM 300 CD1 ILE 19 -3.641 -14.826 7.815 1.00 23.52 ATOM 301 HD11 ILE 19 -3.328 -14.667 6.794 1.00 75.40 ATOM 302 HD12 ILE 19 -4.532 -14.247 8.009 1.00 63.04 ATOM 303 HD13 ILE 19 -3.856 -15.875 7.967 1.00 64.41 ATOM 304 C ILE 19 -1.535 -15.322 12.354 1.00 63.34 ATOM 305 O ILE 19 -1.805 -14.574 13.294 1.00 24.01 ATOM 306 N LEU 20 -1.379 -16.634 12.495 1.00 12.02 ATOM 307 HN LEU 20 -1.169 -17.188 11.706 1.00 38.53 ATOM 308 CA LEU 20 -1.520 -17.285 13.793 1.00 63.41 ATOM 309 HA LEU 20 -2.432 -16.936 14.244 1.00 71.43 ATOM 310 CB LEU 20 -1.601 -18.803 13.618 1.00 50.13 ATOM 311 HB1 LEU 20 -1.480 -19.258 14.597 1.00 38.53 ATOM 312 HB2 LEU 20 -0.755 -19.106 13.013 1.00 65.00 ATOM 313 CG LEU 20 -2.888 -19.338 12.990 1.00 74.02 ATOM 314 HG LEU 20 -3.579 -18.527 12.846 1.00 23.43 ATOM 315 CD1 LEU 20 -2.601 -19.962 11.633 1.00 53.11 ATOM 316 HD11 LEU 20 -2.154 -19.225 10.986 1.00 4.13 ATOM 317 HD12 LEU 20 -3.524 -20.310 11.191 1.00 31.31 ATOM 318 HD13 LEU 20 -1.922 -20.796 11.750 1.00 0.04 ATOM 319 CD2 LEU 20 -3.552 -20.349 13.914 1.00 54.53 ATOM 320 HD21 LEU 20 -2.889 -21.188 14.075 1.00 52.13 ATOM 321 HD22 LEU 20 -4.472 -20.700 13.467 1.00 2.22 ATOM 322 HD23 LEU 20 -3.775 -19.881 14.863 1.00 20.54 ATOM 323 C LEU 20 -0.354 -16.930 14.710 1.00 42.32 ATOM 324 O LEU 20 -0.544 -16.648 15.893 1.00 23.33 ATOM 325 N LYS 21 0.853 -16.942 14.155 1.00 5.00 ATOM 326 HN LYS 21 0.947 -17.185 13.203 1.00 38.53 ATOM 327 CA LYS 21 2.051 -16.617 14.921 1.00 62.44 ATOM 328 HA LYS 21 2.092 -17.274 15.781 1.00 3.12 ATOM 329 CB LYS 21 3.302 -16.839 14.068 1.00 43.14 ATOM 330 HB1 LYS 21 4.173 -16.510 14.622 1.00 38.53 ATOM 331 HB2 LYS 21 3.212 -16.239 13.171 1.00 42.13 ATOM 332 CG LYS 21 3.520 -18.289 13.673 1.00 63.32 ATOM 333 HG1 LYS 21 2.567 -18.776 13.515 1.00 38.53 ATOM 334 HG2 LYS 21 4.051 -18.769 14.477 1.00 74.32 ATOM 335 CD LYS 21 4.343 -18.403 12.401 1.00 64.34 ATOM 336 HD1 LYS 21 5.096 -17.623 12.386 1.00 38.53 ATOM 337 HD2 LYS 21 3.693 -18.285 11.553 1.00 20.40 ATOM 338 CE LYS 21 5.045 -19.750 12.310 1.00 42.45 ATOM 339 HE1 LYS 21 4.324 -20.501 12.047 1.00 38.53 ATOM 340 HE2 LYS 21 5.481 -19.993 13.271 1.00 20.31 ATOM 341 NZ LYS 21 6.131 -19.741 11.290 1.00 34.50 ATOM 342 HZ1 LYS 21 6.590 -20.674 11.253 1.00 33.24 ATOM 343 HZ2 LYS 21 6.849 -19.026 11.531 1.00 11.54 ATOM 344 HZ3 LYS 21 5.742 -19.523 10.349 1.00 22.42 ATOM 345 C LYS 21 2.008 -15.174 15.413 1.00 32.41 ATOM 346 O LYS 21 2.482 -14.868 16.507 1.00 12.14 ATOM 347 N ILE 22 1.436 -14.293 14.599 1.00 34.45 ATOM 348 HN ILE 22 1.081 -14.588 13.728 1.00 38.53 ATOM 349 CA ILE 22 1.328 -12.884 14.955 1.00 44.24 ATOM 350 HA ILE 22 2.274 -12.563 15.380 1.00 63.44 ATOM 351 CB ILE 22 1.038 -12.012 13.718 1.00 34.44 ATOM 352 HB ILE 22 0.101 -12.344 13.288 1.00 20.33 ATOM 353 CG1 ILE 22 2.156 -12.165 12.685 1.00 34.41 ATOM 354 HG11 ILE 22 2.593 -13.149 12.740 1.00 38.53 ATOM 355 HG12 ILE 22 2.935 -11.439 12.881 1.00 12.30 ATOM 356 CG2 ILE 22 0.879 -10.555 14.123 1.00 1.55 ATOM 357 HG21 ILE 22 1.721 -10.247 14.729 1.00 11.21 ATOM 358 HG22 ILE 22 -0.035 -10.424 14.682 1.00 32.10 ATOM 359 HG23 ILE 22 0.835 -9.934 13.238 1.00 71.13 ATOM 360 CD1 ILE 22 1.694 -11.955 11.260 1.00 60.31 ATOM 361 HD11 ILE 22 0.823 -12.561 11.059 1.00 32.34 ATOM 362 HD12 ILE 22 2.483 -12.229 10.587 1.00 54.40 ATOM 363 HD13 ILE 22 1.446 -10.914 11.115 1.00 15.21 ATOM 364 C ILE 22 0.232 -12.660 15.990 1.00 13.41 ATOM 365 O ILE 22 0.365 -11.818 16.879 1.00 52.52 ATOM 366 N HIS 23 -0.852 -13.420 15.870 1.00 10.05 ATOM 367 HN HIS 23 -0.910 -14.075 15.136 1.00 38.53 ATOM 368 CA HIS 23 -1.972 -13.306 16.798 1.00 21.21 ATOM 369 HA HIS 23 -2.142 -12.256 17.000 1.00 40.21 ATOM 370 CB HIS 23 -3.232 -13.919 16.187 1.00 53.35 ATOM 371 HB1 HIS 23 -3.909 -14.237 16.971 1.00 38.53 ATOM 372 HB2 HIS 23 -2.952 -14.776 15.594 1.00 12.33 ATOM 373 CG HIS 23 -3.985 -12.977 15.298 1.00 72.01 ATOM 374 ND1 HIS 23 -4.203 -11.653 15.616 1.00 24.15 ATOM 375 HD1 HIS 23 -3.908 -11.203 16.434 1.00 2.50 ATOM 376 CD2 HIS 23 -4.571 -13.174 14.094 1.00 54.12 ATOM 377 HD2 HIS 23 -4.621 -14.104 13.557 1.00 42.15 ATOM 378 CE1 HIS 23 -4.891 -11.077 14.648 1.00 55.23 ATOM 379 HE1 HIS 23 -5.206 -10.044 14.625 1.00 15.31 ATOM 380 NE2 HIS 23 -5.128 -11.978 13.711 1.00 23.04 ATOM 381 HE2 HIS 23 -5.706 -11.843 12.931 1.00 38.53 ATOM 382 C HIS 23 -1.651 -13.991 18.123 1.00 12.55 ATOM 383 O HIS 23 -2.193 -13.628 19.168 1.00 41.34 ATOM 384 N SER 24 -0.768 -14.982 18.073 1.00 22.53 ATOM 385 HN SER 24 -0.360 -15.238 17.215 1.00 38.53 ATOM 386 CA SER 24 -0.379 -15.721 19.269 1.00 5.42 ATOM 387 HA SER 24 -1.151 -15.611 20.022 1.00 3.30 ATOM 388 CB SER 24 -0.231 -17.209 18.950 1.00 62.43 ATOM 389 HB1 SER 24 -0.868 -17.473 18.120 1.00 38.53 ATOM 390 HB2 SER 24 -0.530 -17.777 19.808 1.00 13.42 ATOM 391 OG SER 24 1.110 -17.530 18.619 1.00 14.44 ATOM 392 HG SER 24 1.162 -18.450 18.349 1.00 61.14 ATOM 393 C SER 24 0.929 -15.179 19.840 1.00 35.23 ATOM 394 O SER 24 1.417 -15.658 20.864 1.00 13.21 ATOM 395 N ARG 25 1.490 -14.178 19.170 1.00 31.13 ATOM 396 HN ARG 25 1.070 -13.835 18.353 1.00 38.53 ATOM 397 CA ARG 25 2.741 -13.572 19.609 1.00 11.42 ATOM 398 HA ARG 25 3.518 -14.320 19.538 1.00 34.34 ATOM 399 CB ARG 25 3.105 -12.392 18.706 1.00 41.02 ATOM 400 HB1 ARG 25 2.973 -12.694 17.675 1.00 38.53 ATOM 401 HB2 ARG 25 4.143 -12.140 18.867 1.00 44.44 ATOM 402 CG ARG 25 2.269 -11.148 18.961 1.00 24.45 ATOM 403 HG1 ARG 25 2.550 -10.731 19.918 1.00 38.53 ATOM 404 HG2 ARG 25 1.225 -11.417 18.989 1.00 1.33 ATOM 405 CD ARG 25 2.488 -10.099 17.883 1.00 4.31 ATOM 406 HD1 ARG 25 1.532 -9.895 17.429 1.00 38.53 ATOM 407 HD2 ARG 25 3.170 -10.470 17.127 1.00 54.22 ATOM 408 NE ARG 25 3.023 -8.855 18.431 1.00 54.33 ATOM 409 HE ARG 25 3.473 -8.891 19.307 1.00 64.35 ATOM 410 CZ ARG 25 2.944 -7.684 17.808 1.00 62.13 ATOM 411 NH1 ARG 25 2.356 -7.598 16.623 1.00 61.24 ATOM 412 HH11 ARG 25 1.967 -8.396 16.172 1.00 70.15 ATOM 413 HH12 ARG 25 2.299 -6.708 16.165 1.00 23.21 ATOM 414 NH2 ARG 25 3.454 -6.596 18.371 1.00 62.14 ATOM 415 HH21 ARG 25 3.900 -6.654 19.267 1.00 1.11 ATOM 416 HH22 ARG 25 3.396 -5.712 17.903 1.00 11.21 ATOM 417 C ARG 25 2.639 -13.104 21.058 1.00 24.02 ATOM 418 O ARG 25 3.625 -13.114 21.796 1.00 61.01 ATOM 419 N LYS 26 1.441 -12.694 21.460 1.00 70.15 ATOM 420 HN LYS 26 0.686 -12.682 20.828 1.00 38.53 ATOM 421 CA LYS 26 1.209 -12.223 22.820 1.00 72.22 ATOM 422 HA LYS 26 2.138 -11.834 23.223 1.00 40.42 ATOM 423 CB LYS 26 0.172 -11.097 22.822 1.00 63.33 ATOM 424 HB1 LYS 26 -0.045 -10.824 23.850 1.00 38.53 ATOM 425 HB2 LYS 26 -0.734 -11.457 22.355 1.00 50.32 ATOM 426 CG LYS 26 0.626 -9.852 22.080 1.00 54.04 ATOM 427 HG1 LYS 26 0.581 -10.044 21.018 1.00 38.53 ATOM 428 HG2 LYS 26 1.648 -9.628 22.364 1.00 35.23 ATOM 429 CD LYS 26 -0.256 -8.658 22.403 1.00 15.23 ATOM 430 HD1 LYS 26 -0.492 -8.655 23.461 1.00 38.53 ATOM 431 HD2 LYS 26 -1.168 -8.733 21.831 1.00 51.30 ATOM 432 CE LYS 26 0.432 -7.346 22.058 1.00 61.31 ATOM 433 HE1 LYS 26 0.786 -7.389 21.036 1.00 38.53 ATOM 434 HE2 LYS 26 1.271 -7.209 22.723 1.00 22.35 ATOM 435 NZ LYS 26 -0.488 -6.184 22.196 1.00 0.40 ATOM 436 HZ1 LYS 26 0.013 -5.305 21.954 1.00 31.12 ATOM 437 HZ2 LYS 26 -0.835 -6.110 23.175 1.00 44.13 ATOM 438 HZ3 LYS 26 -1.304 -6.290 21.557 1.00 62.53 ATOM 439 C LYS 26 0.738 -13.363 23.717 1.00 22.23 ATOM 440 O LYS 26 1.003 -13.369 24.919 1.00 0.01 ATOM 441 N MET 27 0.040 -14.327 23.125 1.00 25.03 ATOM 442 HN MET 27 -0.165 -14.263 22.166 1.00 38.53 ATOM 443 CA MET 27 -0.464 -15.474 23.872 1.00 51.41 ATOM 444 HA MET 27 -0.928 -15.109 24.782 1.00 53.42 ATOM 445 CB MET 27 -1.517 -16.221 23.051 1.00 50.40 ATOM 446 HB1 MET 27 -1.804 -17.116 23.592 1.00 38.53 ATOM 447 HB2 MET 27 -1.079 -16.509 22.105 1.00 73.44 ATOM 448 CG MET 27 -2.762 -15.396 22.765 1.00 21.52 ATOM 449 HG1 MET 27 -2.618 -14.866 21.835 1.00 38.53 ATOM 450 HG2 MET 27 -2.916 -14.682 23.564 1.00 41.12 ATOM 451 SD MET 27 -4.247 -16.409 22.623 1.00 14.42 ATOM 452 CE MET 27 -3.649 -17.745 21.592 1.00 20.30 ATOM 453 HE1 MET 27 -2.981 -18.372 22.164 1.00 63.04 ATOM 454 HE2 MET 27 -3.120 -17.336 20.744 1.00 0.11 ATOM 455 HE3 MET 27 -4.483 -18.333 21.245 1.00 51.35 ATOM 456 C MET 27 0.671 -16.421 24.247 1.00 43.32 ATOM 457 O MET 27 1.710 -16.450 23.588 1.00 30.33 ATOM 458 N ASN 28 0.466 -17.193 25.309 1.00 53.12 ATOM 459 HN ASN 28 -0.394 -17.133 25.791 1.00 38.53 ATOM 460 CA ASN 28 1.473 -18.140 25.771 1.00 21.54 ATOM 461 HA ASN 28 2.442 -17.648 25.732 1.00 23.03 ATOM 462 CB ASN 28 1.192 -18.550 27.219 1.00 50.24 ATOM 463 HB1 ASN 28 1.836 -19.374 27.502 1.00 38.53 ATOM 464 HB2 ASN 28 0.161 -18.858 27.294 1.00 62.21 ATOM 465 CG ASN 28 1.417 -17.412 28.195 1.00 14.33 ATOM 466 OD1 ASN 28 2.093 -16.432 27.880 1.00 73.42 ATOM 467 ND2 ASN 28 0.849 -17.536 29.389 1.00 30.34 ATOM 468 HD21 ASN 28 0.320 -18.341 29.576 1.00 64.11 ATOM 469 HD22 ASN 28 0.982 -16.814 30.038 1.00 44.20 ATOM 470 C ASN 28 1.507 -19.377 24.879 1.00 61.32 ATOM 471 O ASN 28 0.505 -20.078 24.732 1.00 31.41 ATOM 472 N LEU 29 2.666 -19.640 24.285 1.00 50.21 ATOM 473 HN LEU 29 3.441 -19.052 24.439 1.00 38.53 ATOM 474 CA LEU 29 2.832 -20.793 23.407 1.00 52.23 ATOM 475 HA LEU 29 1.874 -21.287 23.286 1.00 53.10 ATOM 476 CB LEU 29 3.308 -20.342 22.025 1.00 54.34 ATOM 477 HB1 LEU 29 3.092 -21.135 21.324 1.00 38.53 ATOM 478 HB2 LEU 29 4.385 -20.207 22.062 1.00 50.25 ATOM 479 CG LEU 29 2.693 -19.047 21.493 1.00 53.33 ATOM 480 HG LEU 29 2.857 -18.252 22.205 1.00 34.13 ATOM 481 CD1 LEU 29 3.357 -18.637 20.188 1.00 45.32 ATOM 482 HD11 LEU 29 4.433 -18.657 20.303 1.00 74.21 ATOM 483 HD12 LEU 29 3.054 -17.635 19.935 1.00 43.40 ATOM 484 HD13 LEU 29 3.069 -19.315 19.395 1.00 51.25 ATOM 485 CD2 LEU 29 1.192 -19.208 21.301 1.00 32.30 ATOM 486 HD21 LEU 29 0.755 -19.729 22.142 1.00 14.23 ATOM 487 HD22 LEU 29 0.984 -19.758 20.393 1.00 4.01 ATOM 488 HD23 LEU 29 0.754 -18.230 21.240 1.00 14.41 ATOM 489 C LEU 29 3.823 -21.790 23.998 1.00 4.40 ATOM 490 O LEU 29 4.885 -21.408 24.493 1.00 54.11 ATOM 491 N THR 30 3.472 -23.071 23.942 1.00 51.52 ATOM 492 HN THR 30 2.608 -23.318 23.533 1.00 38.53 ATOM 493 CA THR 30 4.331 -24.123 24.470 1.00 14.35 ATOM 494 HA THR 30 4.428 -23.974 25.537 1.00 42.43 ATOM 495 CB THR 30 3.721 -25.517 24.234 1.00 33.34 ATOM 496 HB THR 30 2.720 -25.528 24.642 1.00 15.05 ATOM 497 OG1 THR 30 4.508 -26.515 24.895 1.00 41.54 ATOM 498 HG1 THR 30 3.963 -27.283 25.084 1.00 11.21 ATOM 499 CG2 THR 30 3.642 -25.829 22.747 1.00 13.35 ATOM 500 HG21 THR 30 2.996 -25.111 22.270 1.00 44.22 ATOM 501 HG22 THR 30 3.226 -26.817 22.617 1.00 4.25 ATOM 502 HG23 THR 30 4.621 -25.798 22.295 1.00 13.31 ATOM 503 C THR 30 5.716 -24.072 23.836 1.00 31.42 ATOM 504 O THR 30 5.916 -23.423 22.809 1.00 35.14 ATOM 505 N ARG 31 6.670 -24.762 24.453 1.00 34.14 ATOM 506 HN ARG 31 6.446 -25.276 25.266 1.00 38.53 ATOM 507 CA ARG 31 8.037 -24.795 23.949 1.00 71.24 ATOM 508 HA ARG 31 8.291 -23.804 23.582 1.00 4.01 ATOM 509 CB ARG 31 9.009 -25.162 25.072 1.00 41.54 ATOM 510 HB1 ARG 31 9.987 -25.360 24.650 1.00 38.53 ATOM 511 HB2 ARG 31 8.648 -26.061 25.554 1.00 55.54 ATOM 512 CG ARG 31 9.166 -24.073 26.121 1.00 75.11 ATOM 513 HG1 ARG 31 8.191 -23.680 26.379 1.00 38.53 ATOM 514 HG2 ARG 31 9.779 -23.282 25.716 1.00 45.42 ATOM 515 CD ARG 31 9.825 -24.607 27.383 1.00 41.41 ATOM 516 HD1 ARG 31 9.306 -25.499 27.710 1.00 38.53 ATOM 517 HD2 ARG 31 9.741 -23.846 28.146 1.00 24.43 ATOM 518 NE ARG 31 11.235 -24.922 27.172 1.00 4.10 ATOM 519 HE ARG 31 11.560 -24.985 26.243 1.00 64.14 ATOM 520 CZ ARG 31 12.097 -25.132 28.161 1.00 63.33 ATOM 521 NH1 ARG 31 11.694 -25.062 29.422 1.00 45.31 ATOM 522 HH11 ARG 31 10.747 -24.856 29.658 1.00 73.21 ATOM 523 HH12 ARG 31 12.353 -25.220 30.160 1.00 42.34 ATOM 524 NH2 ARG 31 13.365 -25.415 27.889 1.00 50.53 ATOM 525 HH21 ARG 31 13.676 -25.471 26.938 1.00 2.21 ATOM 526 HH22 ARG 31 14.017 -25.574 28.633 1.00 33.52 ATOM 527 C ARG 31 8.169 -25.793 22.801 1.00 10.35 ATOM 528 O ARG 31 8.321 -26.993 23.024 1.00 63.15 ATOM 529 N GLY 32 8.109 -25.286 21.573 1.00 32.25 ATOM 530 HN GLY 32 8.008 -24.316 21.446 1.00 38.53 ATOM 531 CA GLY 32 8.223 -26.146 20.410 1.00 35.10 ATOM 532 HA1 GLY 32 8.619 -27.116 20.686 1.00 38.53 ATOM 533 HA2 GLY 32 8.910 -25.686 19.715 1.00 44.23 ATOM 534 C GLY 32 6.896 -26.345 19.704 1.00 31.12 ATOM 535 O GLY 32 6.691 -27.353 19.027 1.00 13.11 ATOM 536 N ILE 33 5.993 -25.384 19.864 1.00 52.45 ATOM 537 HN ILE 33 6.208 -24.592 20.403 1.00 38.53 ATOM 538 CA ILE 33 4.679 -25.459 19.236 1.00 1.35 ATOM 539 HA ILE 33 4.204 -26.375 19.576 1.00 54.32 ATOM 540 CB ILE 33 3.790 -24.271 19.649 1.00 53.23 ATOM 541 HB ILE 33 3.806 -24.184 20.712 1.00 0.15 ATOM 542 CG1 ILE 33 2.352 -24.494 19.176 1.00 52.12 ATOM 543 HG11 ILE 33 1.973 -25.401 19.616 1.00 38.53 ATOM 544 HG12 ILE 33 2.324 -24.579 18.102 1.00 43.51 ATOM 545 CG2 ILE 33 4.344 -22.972 19.082 1.00 61.41 ATOM 546 HG21 ILE 33 3.841 -22.138 19.546 1.00 21.41 ATOM 547 HG22 ILE 33 4.184 -22.928 18.013 1.00 45.02 ATOM 548 HG23 ILE 33 5.404 -22.900 19.288 1.00 32.22 ATOM 549 CD1 ILE 33 1.409 -23.374 19.559 1.00 63.43 ATOM 550 HD11 ILE 33 1.312 -22.689 18.735 1.00 0.31 ATOM 551 HD12 ILE 33 1.783 -22.844 20.427 1.00 53.23 ATOM 552 HD13 ILE 33 0.450 -23.795 19.791 1.00 22.03 ATOM 553 C ILE 33 4.796 -25.488 17.716 1.00 4.03 ATOM 554 O ILE 33 5.656 -24.826 17.137 1.00 2.43 ATOM 555 N ASN 34 3.924 -26.259 17.076 1.00 61.53 ATOM 556 HN ASN 34 3.251 -26.765 17.587 1.00 38.53 ATOM 557 CA ASN 34 3.929 -26.374 15.622 1.00 72.31 ATOM 558 HA ASN 34 4.767 -25.805 15.229 1.00 54.44 ATOM 559 CB ASN 34 4.089 -27.838 15.206 1.00 43.25 ATOM 560 HB1 ASN 34 3.131 -28.291 15.019 1.00 38.53 ATOM 561 HB2 ASN 34 4.575 -28.381 16.005 1.00 64.11 ATOM 562 CG ASN 34 4.946 -27.995 13.964 1.00 31.10 ATOM 563 OD1 ASN 34 6.175 -27.983 14.039 1.00 73.14 ATOM 564 ND2 ASN 34 4.299 -28.143 12.814 1.00 71.41 ATOM 565 HD21 ASN 34 3.329 -28.145 12.822 1.00 12.03 ATOM 566 HD22 ASN 34 4.832 -28.245 11.998 1.00 41.22 ATOM 567 C ASN 34 2.646 -25.802 15.027 1.00 75.51 ATOM 568 O ASN 34 1.637 -26.500 14.912 1.00 13.13 ATOM 569 N LEU 35 2.691 -24.530 14.649 1.00 0.33 ATOM 570 HN LEU 35 3.533 -24.024 14.753 1.00 38.53 ATOM 571 CA LEU 35 1.532 -23.863 14.065 1.00 64.11 ATOM 572 HA LEU 35 0.651 -24.198 14.578 1.00 12.35 ATOM 573 CB LEU 35 1.643 -22.349 14.251 1.00 12.22 ATOM 574 HB1 LEU 35 0.776 -21.873 13.808 1.00 38.53 ATOM 575 HB2 LEU 35 2.521 -22.037 13.707 1.00 3.23 ATOM 576 CG LEU 35 1.806 -21.860 15.691 1.00 45.13 ATOM 577 HG LEU 35 2.315 -22.612 16.279 1.00 61.54 ATOM 578 CD1 LEU 35 2.655 -20.598 15.733 1.00 71.42 ATOM 579 HD11 LEU 35 3.562 -20.743 15.163 1.00 24.45 ATOM 580 HD12 LEU 35 2.912 -20.378 16.759 1.00 3.53 ATOM 581 HD13 LEU 35 2.094 -19.775 15.325 1.00 63.33 ATOM 582 CD2 LEU 35 0.447 -21.612 16.328 1.00 52.24 ATOM 583 HD21 LEU 35 -0.101 -20.883 15.746 1.00 64.24 ATOM 584 HD22 LEU 35 0.577 -21.239 17.334 1.00 12.42 ATOM 585 HD23 LEU 35 -0.111 -22.537 16.360 1.00 54.51 ATOM 586 C LEU 35 1.403 -24.196 12.582 1.00 31.41 ATOM 587 O LEU 35 0.306 -24.171 12.024 1.00 61.54 ATOM 588 N ARG 36 2.530 -24.510 11.951 1.00 74.12 ATOM 589 HN ARG 36 3.386 -24.495 12.438 1.00 38.53 ATOM 590 CA ARG 36 2.542 -24.850 10.533 1.00 11.40 ATOM 591 HA ARG 36 2.193 -23.995 9.983 1.00 14.22 ATOM 592 CB ARG 36 3.962 -25.195 10.082 1.00 62.11 ATOM 593 HB1 ARG 36 4.290 -26.080 10.614 1.00 38.53 ATOM 594 HB2 ARG 36 4.614 -24.372 10.339 1.00 40.03 ATOM 595 CG ARG 36 4.083 -25.445 8.587 1.00 33.15 ATOM 596 HG1 ARG 36 4.079 -24.494 8.076 1.00 38.53 ATOM 597 HG2 ARG 36 3.256 -26.044 8.239 1.00 10.04 ATOM 598 CD ARG 36 5.371 -26.177 8.247 1.00 5.02 ATOM 599 HD1 ARG 36 5.249 -27.218 8.514 1.00 38.53 ATOM 600 HD2 ARG 36 6.189 -25.751 8.816 1.00 12.11 ATOM 601 NE ARG 36 5.696 -26.082 6.826 1.00 31.44 ATOM 602 HE ARG 36 5.162 -25.467 6.270 1.00 1.51 ATOM 603 CZ ARG 36 6.671 -26.775 6.247 1.00 12.55 ATOM 604 NH1 ARG 36 7.413 -27.608 6.964 1.00 15.30 ATOM 605 HH11 ARG 36 7.260 -27.732 7.943 1.00 34.24 ATOM 606 HH12 ARG 36 8.145 -28.128 6.518 1.00 2.44 ATOM 607 NH2 ARG 36 6.905 -26.634 4.949 1.00 71.21 ATOM 608 HH21 ARG 36 6.348 -26.005 4.402 1.00 33.25 ATOM 609 HH22 ARG 36 7.640 -27.155 4.510 1.00 32.33 ATOM 610 C ARG 36 1.607 -26.021 10.246 1.00 14.43 ATOM 611 O ARG 36 0.984 -26.087 9.186 1.00 65.51 ATOM 612 N LYS 37 1.512 -26.943 11.198 1.00 4.43 ATOM 613 HN LYS 37 2.018 -26.834 12.031 1.00 38.53 ATOM 614 CA LYS 37 0.653 -28.111 11.050 1.00 21.30 ATOM 615 HA LYS 37 0.744 -28.479 10.035 1.00 22.14 ATOM 616 CB LYS 37 1.093 -29.219 12.010 1.00 1.43 ATOM 617 HB1 LYS 37 1.161 -28.812 13.010 1.00 38.53 ATOM 618 HB2 LYS 37 2.074 -29.558 11.707 1.00 72.12 ATOM 619 CG LYS 37 0.167 -30.422 12.016 1.00 34.14 ATOM 620 HG1 LYS 37 0.763 -31.312 12.165 1.00 38.53 ATOM 621 HG2 LYS 37 -0.338 -30.495 11.060 1.00 44.21 ATOM 622 CD LYS 37 -0.881 -30.314 13.112 1.00 40.13 ATOM 623 HD1 LYS 37 -1.835 -30.592 12.699 1.00 38.53 ATOM 624 HD2 LYS 37 -0.936 -29.303 13.485 1.00 10.01 ATOM 625 CE LYS 37 -0.565 -31.237 14.278 1.00 31.52 ATOM 626 HE1 LYS 37 -1.024 -30.837 15.170 1.00 38.53 ATOM 627 HE2 LYS 37 0.504 -31.291 14.419 1.00 64.34 ATOM 628 NZ LYS 37 -1.080 -32.616 14.050 1.00 51.15 ATOM 629 HZ1 LYS 37 -0.649 -33.027 13.196 1.00 51.44 ATOM 630 HZ2 LYS 37 -2.114 -32.602 13.931 1.00 64.22 ATOM 631 HZ3 LYS 37 -0.848 -33.220 14.864 1.00 13.22 ATOM 632 C LYS 37 -0.806 -27.750 11.308 1.00 11.04 ATOM 633 O LYS 37 -1.716 -28.382 10.771 1.00 51.11 ATOM 634 N ILE 38 -1.021 -26.730 12.132 1.00 34.14 ATOM 635 HN ILE 38 -0.260 -26.260 12.518 1.00 38.53 ATOM 636 CA ILE 38 -2.370 -26.284 12.459 1.00 71.10 ATOM 637 HA ILE 38 -2.928 -27.138 12.827 1.00 15.41 ATOM 638 CB ILE 38 -2.355 -25.200 13.553 1.00 32.32 ATOM 639 HB ILE 38 -1.895 -24.308 13.151 1.00 65.32 ATOM 640 CG1 ILE 38 -1.541 -25.674 14.759 1.00 11.52 ATOM 641 HG11 ILE 38 -1.550 -24.916 15.524 1.00 38.53 ATOM 642 HG12 ILE 38 -0.531 -25.844 14.458 1.00 2.22 ATOM 643 CG2 ILE 38 -3.775 -24.850 13.971 1.00 55.44 ATOM 644 HG21 ILE 38 -4.315 -24.449 13.128 1.00 21.25 ATOM 645 HG22 ILE 38 -3.751 -24.101 14.742 1.00 73.15 ATOM 646 HG23 ILE 38 -4.285 -25.725 14.333 1.00 40.44 ATOM 647 CD1 ILE 38 -2.052 -26.962 15.366 1.00 55.54 ATOM 648 HD11 ILE 38 -3.104 -26.917 15.488 1.00 2.53 ATOM 649 HD12 ILE 38 -1.594 -27.109 16.328 1.00 72.55 ATOM 650 HD13 ILE 38 -1.801 -27.787 14.721 1.00 4.41 ATOM 651 C ILE 38 -3.082 -25.736 11.226 1.00 25.44 ATOM 652 O ILE 38 -4.168 -26.191 10.871 1.00 35.13 ATOM 653 N ALA 39 -2.459 -24.758 10.577 1.00 54.02 ATOM 654 HN ALA 39 -1.588 -24.434 10.913 1.00 38.53 ATOM 655 CA ALA 39 -3.031 -24.151 9.381 1.00 1.33 ATOM 656 HA ALA 39 -3.962 -23.675 9.658 1.00 52.31 ATOM 657 CB ALA 39 -2.099 -23.078 8.837 1.00 62.30 ATOM 658 HB1 ALA 39 -2.532 -22.629 7.959 1.00 51.14 ATOM 659 HB2 ALA 39 -1.147 -23.521 8.582 1.00 74.51 ATOM 660 HB3 ALA 39 -1.949 -22.319 9.591 1.00 54.44 ATOM 661 C ALA 39 -3.313 -25.202 8.313 1.00 44.52 ATOM 662 O ALA 39 -4.234 -25.052 7.511 1.00 64.03 ATOM 663 N GLU 40 -2.513 -26.264 8.308 1.00 0.54 ATOM 664 HN GLU 40 -1.766 -26.317 8.946 1.00 38.53 ATOM 665 CA GLU 40 -2.677 -27.338 7.336 1.00 22.14 ATOM 666 HA GLU 40 -2.622 -26.904 6.344 1.00 55.44 ATOM 667 CB GLU 40 -1.565 -28.377 7.499 1.00 12.03 ATOM 668 HB1 GLU 40 -1.955 -29.363 7.271 1.00 38.53 ATOM 669 HB2 GLU 40 -1.215 -28.374 8.515 1.00 31.03 ATOM 670 CG GLU 40 -0.368 -28.134 6.595 1.00 32.54 ATOM 671 HG1 GLU 40 0.108 -27.211 6.891 1.00 38.53 ATOM 672 HG2 GLU 40 -0.711 -28.050 5.573 1.00 12.03 ATOM 673 CD GLU 40 0.653 -29.253 6.667 1.00 2.03 ATOM 674 OE1 GLU 40 1.865 -28.950 6.673 1.00 53.44 ATOM 675 OE2 GLU 40 0.242 -30.431 6.718 1.00 54.31 ATOM 676 C GLU 40 -4.040 -28.007 7.489 1.00 23.25 ATOM 677 O GLU 40 -4.540 -28.643 6.561 1.00 63.23 ATOM 678 N LEU 41 -4.635 -27.860 8.668 1.00 53.33 ATOM 679 HN LEU 41 -4.185 -27.388 9.395 1.00 38.53 ATOM 680 CA LEU 41 -5.941 -28.450 8.944 1.00 4.43 ATOM 681 HA LEU 41 -6.099 -29.290 8.277 1.00 41.21 ATOM 682 CB LEU 41 -5.995 -28.965 10.384 1.00 43.34 ATOM 683 HB1 LEU 41 -6.940 -29.475 10.528 1.00 38.53 ATOM 684 HB2 LEU 41 -5.979 -28.099 11.040 1.00 42.44 ATOM 685 CG LEU 41 -4.862 -29.902 10.804 1.00 2.42 ATOM 686 HG LEU 41 -3.930 -29.565 10.374 1.00 10.24 ATOM 687 CD1 LEU 41 -4.695 -29.892 12.316 1.00 63.13 ATOM 688 HD11 LEU 41 -3.924 -30.590 12.603 1.00 42.41 ATOM 689 HD12 LEU 41 -5.626 -30.177 12.787 1.00 22.04 ATOM 690 HD13 LEU 41 -4.418 -28.899 12.642 1.00 13.01 ATOM 691 CD2 LEU 41 -5.125 -31.314 10.304 1.00 64.43 ATOM 692 HD21 LEU 41 -5.213 -31.306 9.226 1.00 35.32 ATOM 693 HD22 LEU 41 -6.042 -31.690 10.736 1.00 30.13 ATOM 694 HD23 LEU 41 -4.304 -31.958 10.589 1.00 3.44 ATOM 695 C LEU 41 -7.056 -27.436 8.713 1.00 55.33 ATOM 696 O LEU 41 -8.101 -27.489 9.361 1.00 74.55 ATOM 697 N MET 42 -6.828 -26.514 7.783 1.00 3.22 ATOM 698 HN MET 42 -5.999 -26.511 7.273 1.00 38.53 ATOM 699 CA MET 42 -7.816 -25.490 7.464 1.00 44.23 ATOM 700 HA MET 42 -8.685 -25.611 8.100 1.00 32.02 ATOM 701 CB MET 42 -7.239 -24.096 7.722 1.00 70.43 ATOM 702 HB1 MET 42 -7.889 -23.350 7.278 1.00 38.53 ATOM 703 HB2 MET 42 -6.277 -24.028 7.247 1.00 32.43 ATOM 704 CG MET 42 -7.066 -23.774 9.197 1.00 14.20 ATOM 705 HG1 MET 42 -6.258 -23.063 9.294 1.00 38.53 ATOM 706 HG2 MET 42 -6.801 -24.674 9.730 1.00 43.13 ATOM 707 SD MET 42 -8.556 -23.075 9.934 1.00 32.43 ATOM 708 CE MET 42 -8.066 -21.364 10.132 1.00 50.02 ATOM 709 HE1 MET 42 -7.200 -21.310 10.775 1.00 33.12 ATOM 710 HE2 MET 42 -8.878 -20.806 10.574 1.00 14.13 ATOM 711 HE3 MET 42 -7.824 -20.945 9.166 1.00 1.41 ATOM 712 C MET 42 -8.268 -25.605 6.011 1.00 3.24 ATOM 713 O MET 42 -7.923 -24.783 5.162 1.00 52.10 ATOM 714 N PRO 43 -9.057 -26.648 5.717 1.00 34.43 ATOM 715 CA PRO 43 -9.573 -26.895 4.368 1.00 55.04 ATOM 716 HA PRO 43 -8.777 -26.920 3.637 1.00 10.12 ATOM 717 CB PRO 43 -10.210 -28.282 4.479 1.00 33.43 ATOM 718 HB1 PRO 43 -9.485 -29.027 4.189 1.00 38.53 ATOM 719 HB2 PRO 43 -11.082 -28.368 3.842 1.00 31.12 ATOM 720 CG PRO 43 -10.563 -28.422 5.920 1.00 72.41 ATOM 721 HG1 PRO 43 -10.551 -29.463 6.200 1.00 38.53 ATOM 722 HG2 PRO 43 -11.537 -27.993 6.104 1.00 74.10 ATOM 723 CD PRO 43 -9.508 -27.668 6.680 1.00 41.40 ATOM 724 HD1 PRO 43 -8.705 -28.336 6.938 1.00 38.53 ATOM 725 HD2 PRO 43 -9.935 -27.219 7.563 1.00 11.51 ATOM 726 C PRO 43 -10.615 -25.863 3.948 1.00 63.24 ATOM 727 O PRO 43 -11.817 -26.110 4.033 1.00 1.24 ATOM 728 N GLY 44 -10.144 -24.706 3.492 1.00 14.34 ATOM 729 HN GLY 44 -9.173 -24.554 3.441 1.00 38.53 ATOM 730 CA GLY 44 -11.049 -23.654 3.065 1.00 23.04 ATOM 731 HA1 GLY 44 -11.992 -24.076 2.738 1.00 38.53 ATOM 732 HA2 GLY 44 -10.599 -23.138 2.229 1.00 13.22 ATOM 733 C GLY 44 -11.319 -22.641 4.161 1.00 63.54 ATOM 734 O GLY 44 -12.419 -22.590 4.710 1.00 43.32 ATOM 735 N ALA 45 -10.312 -21.835 4.480 1.00 23.33 ATOM 736 HN ALA 45 -9.447 -21.928 4.016 1.00 38.53 ATOM 737 CA ALA 45 -10.446 -20.819 5.517 1.00 61.41 ATOM 738 HA ALA 45 -11.499 -20.664 5.729 1.00 73.44 ATOM 739 CB ALA 45 -9.781 -21.287 6.803 1.00 12.22 ATOM 740 HB1 ALA 45 -10.098 -20.658 7.622 1.00 55.45 ATOM 741 HB2 ALA 45 -8.704 -21.232 6.703 1.00 21.34 ATOM 742 HB3 ALA 45 -10.061 -22.301 7.003 1.00 21.02 ATOM 743 C ALA 45 -9.850 -19.491 5.064 1.00 52.31 ATOM 744 O ALA 45 -8.886 -19.460 4.299 1.00 31.41 ATOM 745 N SER 46 -10.431 -18.394 5.540 1.00 21.12 ATOM 746 HN SER 46 -11.197 -18.477 6.153 1.00 38.53 ATOM 747 CA SER 46 -9.960 -17.062 5.180 1.00 2.22 ATOM 748 HA SER 46 -9.331 -17.130 4.301 1.00 12.32 ATOM 749 CB SER 46 -11.144 -16.151 4.850 1.00 61.25 ATOM 750 HB1 SER 46 -10.786 -15.252 4.373 1.00 38.53 ATOM 751 HB2 SER 46 -11.673 -15.890 5.758 1.00 4.33 ATOM 752 OG SER 46 -12.051 -16.793 3.971 1.00 73.43 ATOM 753 HG SER 46 -12.615 -17.391 4.468 1.00 34.41 ATOM 754 C SER 46 -9.136 -16.453 6.311 1.00 63.13 ATOM 755 O SER 46 -8.829 -17.119 7.299 1.00 54.12 ATOM 756 N GLY 47 -8.780 -15.181 6.157 1.00 65.33 ATOM 757 HN GLY 47 -9.015 -14.691 5.340 1.00 38.53 ATOM 758 CA GLY 47 -7.994 -14.503 7.171 1.00 51.10 ATOM 759 HA1 GLY 47 -7.761 -13.509 6.820 1.00 38.53 ATOM 760 HA2 GLY 47 -7.069 -15.042 7.326 1.00 75.24 ATOM 761 C GLY 47 -8.726 -14.392 8.493 1.00 35.05 ATOM 762 O GLY 47 -8.132 -14.570 9.556 1.00 13.34 ATOM 763 N ALA 48 -10.020 -14.096 8.429 1.00 54.25 ATOM 764 HN ALA 48 -10.443 -13.955 7.548 1.00 38.53 ATOM 765 CA ALA 48 -10.835 -13.962 9.630 1.00 4.40 ATOM 766 HA ALA 48 -10.378 -13.216 10.269 1.00 3.03 ATOM 767 CB ALA 48 -12.231 -13.476 9.270 1.00 43.30 ATOM 768 HB1 ALA 48 -12.157 -12.542 8.733 1.00 74.33 ATOM 769 HB2 ALA 48 -12.808 -13.325 10.172 1.00 32.03 ATOM 770 HB3 ALA 48 -12.723 -14.210 8.646 1.00 4.40 ATOM 771 C ALA 48 -10.911 -15.281 10.391 1.00 14.22 ATOM 772 O ALA 48 -10.735 -15.316 11.608 1.00 32.05 ATOM 773 N GLU 49 -11.176 -16.363 9.666 1.00 53.22 ATOM 774 HN GLU 49 -11.316 -16.272 8.693 1.00 38.53 ATOM 775 CA GLU 49 -11.278 -17.684 10.275 1.00 41.13 ATOM 776 HA GLU 49 -12.090 -17.661 10.991 1.00 15.13 ATOM 777 CB GLU 49 -11.572 -18.741 9.208 1.00 45.53 ATOM 778 HB1 GLU 49 -11.221 -19.708 9.549 1.00 38.53 ATOM 779 HB2 GLU 49 -11.037 -18.480 8.306 1.00 33.52 ATOM 780 CG GLU 49 -13.048 -18.880 8.879 1.00 15.31 ATOM 781 HG1 GLU 49 -13.487 -17.895 8.790 1.00 38.53 ATOM 782 HG2 GLU 49 -13.533 -19.416 9.681 1.00 70.12 ATOM 783 CD GLU 49 -13.290 -19.629 7.583 1.00 23.53 ATOM 784 OE1 GLU 49 -13.236 -18.993 6.510 1.00 32.33 ATOM 785 OE2 GLU 49 -13.532 -20.853 7.643 1.00 22.31 ATOM 786 C GLU 49 -9.994 -18.040 11.019 1.00 12.01 ATOM 787 O GLU 49 -10.026 -18.723 12.043 1.00 60.34 ATOM 788 N VAL 50 -8.865 -17.572 10.497 1.00 60.02 ATOM 789 HN VAL 50 -8.894 -17.038 9.670 1.00 38.53 ATOM 790 CA VAL 50 -7.570 -17.840 11.111 1.00 50.21 ATOM 791 HA VAL 50 -7.474 -18.909 11.251 1.00 0.43 ATOM 792 CB VAL 50 -6.413 -17.369 10.209 1.00 32.14 ATOM 793 HB VAL 50 -6.507 -16.305 10.053 1.00 11.45 ATOM 794 CG1 VAL 50 -5.073 -17.630 10.880 1.00 12.33 ATOM 795 HG11 VAL 50 -5.056 -18.633 11.285 1.00 21.13 ATOM 796 HG12 VAL 50 -4.915 -16.917 11.675 1.00 42.24 ATOM 797 HG13 VAL 50 -4.278 -17.531 10.156 1.00 42.14 ATOM 798 CG2 VAL 50 -6.482 -18.055 8.853 1.00 12.03 ATOM 799 HG21 VAL 50 -6.275 -17.329 8.081 1.00 73.43 ATOM 800 HG22 VAL 50 -7.459 -18.482 8.683 1.00 14.11 ATOM 801 HG23 VAL 50 -5.746 -18.847 8.793 1.00 55.31 ATOM 802 C VAL 50 -7.453 -17.155 12.468 1.00 73.00 ATOM 803 O VAL 50 -6.920 -17.725 13.420 1.00 31.31 ATOM 804 N LYS 51 -7.956 -15.928 12.550 1.00 0.14 ATOM 805 HN LYS 51 -8.362 -15.514 11.752 1.00 38.53 ATOM 806 CA LYS 51 -7.911 -15.164 13.791 1.00 4.34 ATOM 807 HA LYS 51 -6.882 -15.118 14.124 1.00 20.23 ATOM 808 CB LYS 51 -8.414 -13.738 13.555 1.00 4.21 ATOM 809 HB1 LYS 51 -9.376 -13.783 13.065 1.00 38.53 ATOM 810 HB2 LYS 51 -7.715 -13.240 12.895 1.00 21.12 ATOM 811 CG LYS 51 -8.523 -12.913 14.826 1.00 41.02 ATOM 812 HG1 LYS 51 -8.227 -11.901 14.588 1.00 38.53 ATOM 813 HG2 LYS 51 -7.852 -13.310 15.580 1.00 61.33 ATOM 814 CD LYS 51 -9.939 -12.921 15.376 1.00 73.40 ATOM 815 HD1 LYS 51 -10.009 -13.682 16.140 1.00 38.53 ATOM 816 HD2 LYS 51 -10.647 -13.142 14.587 1.00 24.51 ATOM 817 CE LYS 51 -10.311 -11.575 15.978 1.00 33.11 ATOM 818 HE1 LYS 51 -11.349 -11.381 15.752 1.00 38.53 ATOM 819 HE2 LYS 51 -9.707 -10.786 15.549 1.00 61.02 ATOM 820 NZ LYS 51 -10.142 -11.563 17.457 1.00 24.25 ATOM 821 HZ1 LYS 51 -10.750 -12.285 17.897 1.00 12.44 ATOM 822 HZ2 LYS 51 -10.405 -10.631 17.836 1.00 30.23 ATOM 823 HZ3 LYS 51 -9.151 -11.758 17.710 1.00 61.14 ATOM 824 C LYS 51 -8.747 -15.836 14.875 1.00 32.12 ATOM 825 O LYS 51 -8.287 -16.025 16.000 1.00 21.24 ATOM 826 N GLY 52 -9.979 -16.197 14.528 1.00 50.53 ATOM 827 HN GLY 52 -10.306 -16.023 13.617 1.00 38.53 ATOM 828 CA GLY 52 -10.859 -16.845 15.482 1.00 72.21 ATOM 829 HA1 GLY 52 -11.769 -17.133 14.976 1.00 38.53 ATOM 830 HA2 GLY 52 -11.103 -16.144 16.268 1.00 11.15 ATOM 831 C GLY 52 -10.234 -18.079 16.102 1.00 43.10 ATOM 832 O GLY 52 -10.488 -18.396 17.264 1.00 55.11 ATOM 833 N VAL 53 -9.413 -18.779 15.325 1.00 52.22 ATOM 834 HN VAL 53 -9.255 -18.487 14.398 1.00 38.53 ATOM 835 CA VAL 53 -8.750 -19.985 15.804 1.00 22.41 ATOM 836 HA VAL 53 -9.514 -20.711 16.057 1.00 73.30 ATOM 837 CB VAL 53 -7.841 -20.594 14.720 1.00 25.33 ATOM 838 HB VAL 53 -7.083 -19.872 14.460 1.00 21.14 ATOM 839 CG1 VAL 53 -7.141 -21.838 15.247 1.00 42.11 ATOM 840 HG11 VAL 53 -6.438 -21.568 16.020 1.00 72.13 ATOM 841 HG12 VAL 53 -6.603 -22.320 14.442 1.00 51.11 ATOM 842 HG13 VAL 53 -7.871 -22.528 15.649 1.00 43.33 ATOM 843 CG2 VAL 53 -8.644 -20.914 13.469 1.00 34.21 ATOM 844 HG21 VAL 53 -8.527 -21.956 13.196 1.00 13.21 ATOM 845 HG22 VAL 53 -8.283 -20.304 12.661 1.00 15.30 ATOM 846 HG23 VAL 53 -9.696 -20.707 13.622 1.00 32.42 ATOM 847 C VAL 53 -7.917 -19.697 17.048 1.00 63.31 ATOM 848 O VAL 53 -8.025 -20.397 18.056 1.00 41.02 ATOM 849 N CYS 54 -7.086 -18.663 16.970 1.00 34.44 ATOM 850 HN CYS 54 -7.066 -18.132 16.140 1.00 38.53 ATOM 851 CA CYS 54 -6.234 -18.282 18.091 1.00 65.14 ATOM 852 HA CYS 54 -5.541 -19.091 18.274 1.00 62.32 ATOM 853 CB CYS 54 -5.440 -17.020 17.748 1.00 35.02 ATOM 854 HB1 CYS 54 -4.768 -16.789 18.564 1.00 38.53 ATOM 855 HB2 CYS 54 -6.124 -16.195 17.607 1.00 22.13 ATOM 856 SG CYS 54 -4.445 -17.159 16.245 1.00 1.23 ATOM 857 HG CYS 54 -3.168 -17.119 16.595 1.00 54.22 ATOM 858 C CYS 54 -7.062 -18.051 19.350 1.00 4.14 ATOM 859 O CYS 54 -6.772 -18.609 20.409 1.00 24.31 ATOM 860 N THR 55 -8.094 -17.222 19.230 1.00 72.11 ATOM 861 HN THR 55 -8.276 -16.803 18.355 1.00 38.53 ATOM 862 CA THR 55 -8.963 -16.914 20.359 1.00 61.31 ATOM 863 HA THR 55 -8.367 -16.408 21.108 1.00 63.41 ATOM 864 CB THR 55 -10.116 -15.982 19.942 1.00 35.33 ATOM 865 HB THR 55 -10.784 -16.521 19.280 1.00 63.31 ATOM 866 OG1 THR 55 -9.599 -14.843 19.247 1.00 42.33 ATOM 867 HG1 THR 55 -9.578 -15.020 18.303 1.00 24.24 ATOM 868 CG2 THR 55 -10.908 -15.524 21.158 1.00 70.30 ATOM 869 HG21 THR 55 -11.435 -16.362 21.590 1.00 12.12 ATOM 870 HG22 THR 55 -11.623 -14.774 20.854 1.00 25.14 ATOM 871 HG23 THR 55 -10.238 -15.100 21.894 1.00 72.54 ATOM 872 C THR 55 -9.546 -18.185 20.967 1.00 44.12 ATOM 873 O THR 55 -9.578 -18.341 22.187 1.00 72.11 ATOM 874 N GLU 56 -10.004 -19.090 20.108 1.00 60.21 ATOM 875 HN GLU 56 -9.960 -18.906 19.139 1.00 38.53 ATOM 876 CA GLU 56 -10.586 -20.348 20.562 1.00 3.34 ATOM 877 HA GLU 56 -11.421 -20.111 21.203 1.00 51.13 ATOM 878 CB GLU 56 -11.058 -21.178 19.367 1.00 22.33 ATOM 879 HB1 GLU 56 -11.073 -22.228 19.630 1.00 38.53 ATOM 880 HB2 GLU 56 -10.375 -21.025 18.552 1.00 11.54 ATOM 881 CG GLU 56 -12.447 -20.805 18.877 1.00 21.14 ATOM 882 HG1 GLU 56 -12.726 -21.478 18.079 1.00 38.53 ATOM 883 HG2 GLU 56 -12.423 -19.793 18.501 1.00 33.43 ATOM 884 CD GLU 56 -13.493 -20.889 19.971 1.00 35.24 ATOM 885 OE1 GLU 56 -13.309 -21.696 20.907 1.00 12.20 ATOM 886 OE2 GLU 56 -14.496 -20.149 19.892 1.00 32.42 ATOM 887 C GLU 56 -9.579 -21.147 21.385 1.00 11.23 ATOM 888 O GLU 56 -9.894 -21.630 22.472 1.00 12.55 ATOM 889 N ALA 57 -8.367 -21.282 20.857 1.00 20.15 ATOM 890 HN ALA 57 -8.176 -20.881 19.975 1.00 38.53 ATOM 891 CA ALA 57 -7.314 -22.021 21.543 1.00 44.24 ATOM 892 HA ALA 57 -7.605 -23.062 21.580 1.00 2.23 ATOM 893 CB ALA 57 -6.009 -21.923 20.766 1.00 51.43 ATOM 894 HB1 ALA 57 -5.250 -22.521 21.252 1.00 62.24 ATOM 895 HB2 ALA 57 -5.685 -20.892 20.726 1.00 70.34 ATOM 896 HB3 ALA 57 -6.163 -22.288 19.761 1.00 72.22 ATOM 897 C ALA 57 -7.123 -21.511 22.967 1.00 1.20 ATOM 898 O ALA 57 -6.848 -22.285 23.883 1.00 73.45 ATOM 899 N GLY 58 -7.270 -20.202 23.147 1.00 44.41 ATOM 900 HN GLY 58 -7.473 -19.614 22.387 1.00 38.53 ATOM 901 CA GLY 58 -7.109 -19.611 24.463 1.00 41.14 ATOM 902 HA1 GLY 58 -7.090 -18.536 24.358 1.00 38.53 ATOM 903 HA2 GLY 58 -6.169 -19.934 24.892 1.00 43.33 ATOM 904 C GLY 58 -8.234 -19.985 25.407 1.00 2.14 ATOM 905 O GLY 58 -8.045 -20.023 26.623 1.00 73.31 ATOM 906 N MET 59 -9.408 -20.260 24.848 1.00 44.41 ATOM 907 HN MET 59 -9.511 -20.196 23.876 1.00 38.53 ATOM 908 CA MET 59 -10.567 -20.632 25.650 1.00 54.22 ATOM 909 HA MET 59 -10.636 -19.949 26.483 1.00 33.30 ATOM 910 CB MET 59 -11.846 -20.528 24.815 1.00 25.44 ATOM 911 HB1 MET 59 -12.695 -20.769 25.441 1.00 38.53 ATOM 912 HB2 MET 59 -11.793 -21.254 24.013 1.00 62.53 ATOM 913 CG MET 59 -12.052 -19.160 24.187 1.00 11.43 ATOM 914 HG1 MET 59 -12.376 -19.301 23.166 1.00 38.53 ATOM 915 HG2 MET 59 -11.127 -18.601 24.187 1.00 43.14 ATOM 916 SD MET 59 -13.303 -18.184 25.044 1.00 74.12 ATOM 917 CE MET 59 -12.698 -18.261 26.728 1.00 53.21 ATOM 918 HE1 MET 59 -12.783 -19.273 27.096 1.00 44.10 ATOM 919 HE2 MET 59 -13.283 -17.601 27.351 1.00 14.43 ATOM 920 HE3 MET 59 -11.662 -17.955 26.753 1.00 14.21 ATOM 921 C MET 59 -10.418 -22.047 26.198 1.00 25.33 ATOM 922 O MET 59 -10.723 -22.308 27.362 1.00 13.22 ATOM 923 N TYR 60 -9.946 -22.957 25.353 1.00 21.35 ATOM 924 HN TYR 60 -9.725 -22.693 24.428 1.00 38.53 ATOM 925 CA TYR 60 -9.758 -24.347 25.753 1.00 13.13 ATOM 926 HA TYR 60 -10.707 -24.726 26.104 1.00 12.13 ATOM 927 CB TYR 60 -9.306 -25.187 24.558 1.00 42.12 ATOM 928 HB1 TYR 60 -8.980 -26.162 24.906 1.00 38.53 ATOM 929 HB2 TYR 60 -8.471 -24.693 24.079 1.00 40.41 ATOM 930 CG TYR 60 -10.391 -25.410 23.529 1.00 32.32 ATOM 931 CD1 TYR 60 -10.337 -24.788 22.288 1.00 75.43 ATOM 932 HD1 TYR 60 -9.505 -24.137 22.058 1.00 32.43 ATOM 933 CD2 TYR 60 -11.471 -26.242 23.799 1.00 62.22 ATOM 934 HD2 TYR 60 -11.532 -26.735 24.760 1.00 55.12 ATOM 935 CE1 TYR 60 -11.327 -24.989 21.345 1.00 52.10 ATOM 936 HE1 TYR 60 -11.268 -24.495 20.390 1.00 10.13 ATOM 937 CE2 TYR 60 -12.464 -26.450 22.862 1.00 52.33 ATOM 938 HE2 TYR 60 -13.294 -27.101 23.091 1.00 53.42 ATOM 939 CZ TYR 60 -12.388 -25.821 21.636 1.00 11.24 ATOM 940 OH TYR 60 -13.376 -26.024 20.701 1.00 55.23 ATOM 941 HH TYR 60 -14.149 -25.517 20.958 1.00 5.03 ATOM 942 C TYR 60 -8.737 -24.456 26.882 1.00 71.05 ATOM 943 O TYR 60 -8.839 -25.328 27.744 1.00 14.42 ATOM 944 N ALA 61 -7.752 -23.564 26.868 1.00 53.32 ATOM 945 HN ALA 61 -7.710 -22.893 26.147 1.00 38.53 ATOM 946 CA ALA 61 -6.713 -23.557 27.890 1.00 14.31 ATOM 947 HA ALA 61 -6.348 -24.570 28.015 1.00 4.43 ATOM 948 CB ALA 61 -5.542 -22.693 27.446 1.00 12.35 ATOM 949 HB1 ALA 61 -4.754 -22.740 28.185 1.00 1.13 ATOM 950 HB2 ALA 61 -5.868 -21.669 27.331 1.00 31.25 ATOM 951 HB3 ALA 61 -5.168 -23.057 26.500 1.00 52.43 ATOM 952 C ALA 61 -7.261 -23.064 29.226 1.00 64.15 ATOM 953 O ALA 61 -6.897 -23.578 30.285 1.00 53.45 ATOM 954 N LEU 62 -8.135 -22.066 29.169 1.00 52.20 ATOM 955 HN LEU 62 -8.382 -21.684 28.294 1.00 38.53 ATOM 956 CA LEU 62 -8.733 -21.503 30.375 1.00 44.21 ATOM 957 HA LEU 62 -7.933 -21.211 31.045 1.00 43.35 ATOM 958 CB LEU 62 -9.566 -20.268 30.026 1.00 30.35 ATOM 959 HB1 LEU 62 -10.294 -20.100 30.815 1.00 38.53 ATOM 960 HB2 LEU 62 -10.115 -20.496 29.119 1.00 4.11 ATOM 961 CG LEU 62 -8.786 -18.971 29.811 1.00 50.05 ATOM 962 HG LEU 62 -7.841 -19.193 29.332 1.00 55.53 ATOM 963 CD1 LEU 62 -9.556 -18.031 28.896 1.00 62.35 ATOM 964 HD11 LEU 62 -10.504 -17.775 29.349 1.00 41.52 ATOM 965 HD12 LEU 62 -9.732 -18.514 27.945 1.00 43.40 ATOM 966 HD13 LEU 62 -8.981 -17.129 28.735 1.00 63.21 ATOM 967 CD2 LEU 62 -8.491 -18.298 31.143 1.00 11.11 ATOM 968 HD21 LEU 62 -9.419 -18.047 31.640 1.00 15.32 ATOM 969 HD22 LEU 62 -7.919 -17.396 30.975 1.00 74.54 ATOM 970 HD23 LEU 62 -7.919 -18.969 31.769 1.00 71.21 ATOM 971 C LEU 62 -9.604 -22.535 31.084 1.00 4.20 ATOM 972 O LEU 62 -9.465 -22.757 32.287 1.00 14.10 ATOM 973 N ARG 63 -10.499 -23.164 30.330 1.00 12.11 ATOM 974 HN ARG 63 -10.564 -22.941 29.370 1.00 38.53 ATOM 975 CA ARG 63 -11.392 -24.173 30.886 1.00 21.52 ATOM 976 HA ARG 63 -12.001 -23.701 31.645 1.00 51.14 ATOM 977 CB ARG 63 -12.308 -24.731 29.795 1.00 30.44 ATOM 978 HB1 ARG 63 -12.828 -23.908 29.327 1.00 38.53 ATOM 979 HB2 ARG 63 -13.036 -25.385 30.259 1.00 14.31 ATOM 980 CG ARG 63 -11.569 -25.504 28.716 1.00 64.44 ATOM 981 HG1 ARG 63 -10.833 -26.162 29.146 1.00 38.53 ATOM 982 HG2 ARG 63 -11.094 -24.793 28.085 1.00 40.14 ATOM 983 CD ARG 63 -12.523 -26.336 27.873 1.00 31.01 ATOM 984 HD1 ARG 63 -13.009 -27.060 28.513 1.00 38.53 ATOM 985 HD2 ARG 63 -11.953 -26.853 27.115 1.00 22.51 ATOM 986 NE ARG 63 -13.538 -25.512 27.222 1.00 61.23 ATOM 987 HE ARG 63 -13.465 -24.533 27.308 1.00 63.01 ATOM 988 CZ ARG 63 -14.547 -26.010 26.517 1.00 75.43 ATOM 989 NH1 ARG 63 -14.677 -27.322 26.373 1.00 25.12 ATOM 990 HH11 ARG 63 -14.027 -27.958 26.786 1.00 21.31 ATOM 991 HH12 ARG 63 -15.443 -27.689 25.840 1.00 54.22 ATOM 992 NH2 ARG 63 -15.431 -25.196 25.954 1.00 40.11 ATOM 993 HH21 ARG 63 -15.340 -24.204 26.059 1.00 11.51 ATOM 994 HH22 ARG 63 -16.193 -25.570 25.421 1.00 12.35 ATOM 995 C ARG 63 -10.598 -25.308 31.528 1.00 43.44 ATOM 996 O ARG 63 -11.092 -25.997 32.419 1.00 73.24 ATOM 997 N GLU 64 -9.365 -25.494 31.067 1.00 63.00 ATOM 998 HN GLU 64 -9.024 -24.949 30.325 1.00 38.53 ATOM 999 CA GLU 64 -8.503 -26.545 31.595 1.00 35.43 ATOM 1000 HA GLU 64 -9.122 -27.334 32.011 1.00 55.41 ATOM 1001 CB GLU 64 -7.642 -27.139 30.479 1.00 75.44 ATOM 1002 HB1 GLU 64 -6.840 -27.723 30.919 1.00 38.53 ATOM 1003 HB2 GLU 64 -7.210 -26.332 29.904 1.00 32.34 ATOM 1004 CG GLU 64 -8.414 -28.039 29.528 1.00 54.21 ATOM 1005 HG1 GLU 64 -8.987 -27.428 28.853 1.00 38.53 ATOM 1006 HG2 GLU 64 -9.087 -28.665 30.100 1.00 23.33 ATOM 1007 CD GLU 64 -7.508 -28.944 28.716 1.00 53.33 ATOM 1008 OE1 GLU 64 -7.215 -28.601 27.551 1.00 14.45 ATOM 1009 OE2 GLU 64 -7.092 -29.995 29.246 1.00 61.35 ATOM 1010 C GLU 64 -7.610 -26.008 32.710 1.00 33.30 ATOM 1011 O GLU 64 -6.600 -26.619 33.058 1.00 4.44 ATOM 1012 N ARG 65 -7.991 -24.862 33.265 1.00 70.14 ATOM 1013 HN ARG 65 -8.795 -24.403 32.973 1.00 38.53 ATOM 1014 CA ARG 65 -7.225 -24.241 34.338 1.00 24.22 ATOM 1015 HA ARG 65 -7.645 -23.264 34.523 1.00 40.41 ATOM 1016 CB ARG 65 -7.327 -25.076 35.616 1.00 73.21 ATOM 1017 HB1 ARG 65 -6.868 -24.537 36.427 1.00 38.53 ATOM 1018 HB2 ARG 65 -6.784 -26.003 35.468 1.00 71.51 ATOM 1019 CG ARG 65 -8.754 -25.440 35.993 1.00 52.23 ATOM 1020 HG1 ARG 65 -8.723 -26.160 36.798 1.00 38.53 ATOM 1021 HG2 ARG 65 -9.258 -25.877 35.144 1.00 30.52 ATOM 1022 CD ARG 65 -9.534 -24.222 36.462 1.00 52.42 ATOM 1023 HD1 ARG 65 -10.527 -24.540 36.747 1.00 38.53 ATOM 1024 HD2 ARG 65 -9.603 -23.516 35.647 1.00 44.35 ATOM 1025 NE ARG 65 -8.896 -23.569 37.602 1.00 34.22 ATOM 1026 HE ARG 65 -8.034 -23.917 37.920 1.00 12.24 ATOM 1027 CZ ARG 65 -9.427 -22.538 38.250 1.00 43.21 ATOM 1028 NH1 ARG 65 -10.598 -22.044 37.872 1.00 62.53 ATOM 1029 HH11 ARG 65 -11.101 -22.431 37.101 1.00 43.24 ATOM 1030 HH12 ARG 65 -10.991 -21.266 38.367 1.00 44.51 ATOM 1031 NH2 ARG 65 -8.786 -21.998 39.279 1.00 64.14 ATOM 1032 HH21 ARG 65 -7.900 -22.366 39.570 1.00 64.43 ATOM 1033 HH22 ARG 65 -9.184 -21.220 39.769 1.00 13.02 ATOM 1034 C ARG 65 -5.761 -24.081 33.939 1.00 64.12 ATOM 1035 O ARG 65 -4.868 -24.121 34.786 1.00 61.54 ATOM 1036 N ARG 66 -5.522 -23.900 32.644 1.00 73.01 ATOM 1037 HN ARG 66 -6.266 -23.815 32.009 1.00 38.53 ATOM 1038 CA ARG 66 -4.167 -23.736 32.132 1.00 11.31 ATOM 1039 HA ARG 66 -3.457 -24.015 32.905 1.00 60.35 ATOM 1040 CB ARG 66 -3.943 -24.644 30.922 1.00 64.11 ATOM 1041 HB1 ARG 66 -2.994 -24.384 30.464 1.00 38.53 ATOM 1042 HB2 ARG 66 -4.729 -24.480 30.206 1.00 12.51 ATOM 1043 CG ARG 66 -3.913 -26.124 31.268 1.00 1.21 ATOM 1044 HG1 ARG 66 -4.923 -26.455 31.436 1.00 38.53 ATOM 1045 HG2 ARG 66 -3.327 -26.274 32.165 1.00 61.14 ATOM 1046 CD ARG 66 -3.302 -26.947 30.145 1.00 41.44 ATOM 1047 HD1 ARG 66 -2.241 -27.029 30.335 1.00 38.53 ATOM 1048 HD2 ARG 66 -3.461 -26.449 29.195 1.00 2.24 ATOM 1049 NE ARG 66 -3.882 -28.285 30.069 1.00 44.13 ATOM 1050 HE ARG 66 -4.730 -28.449 30.544 1.00 30.33 ATOM 1051 CZ ARG 66 -3.332 -29.287 29.391 1.00 2.43 ATOM 1052 NH1 ARG 66 -2.194 -29.102 28.735 1.00 35.12 ATOM 1053 HH11 ARG 66 -1.730 -28.220 28.731 1.00 61.35 ATOM 1054 HH12 ARG 66 -1.786 -29.865 28.230 1.00 61.42 ATOM 1055 NH2 ARG 66 -3.919 -30.476 29.370 1.00 75.13 ATOM 1056 HH21 ARG 66 -4.778 -30.622 29.865 1.00 2.13 ATOM 1057 HH22 ARG 66 -3.506 -31.233 28.859 1.00 71.04 ATOM 1058 C ARG 66 -3.904 -22.283 31.747 1.00 3.10 ATOM 1059 O ARG 66 -4.829 -21.538 31.423 1.00 63.25 ATOM 1060 N VAL 67 -2.636 -21.886 31.786 1.00 64.31 ATOM 1061 HN VAL 67 -1.938 -22.518 32.077 1.00 38.53 ATOM 1062 CA VAL 67 -2.250 -20.523 31.441 1.00 60.24 ATOM 1063 HA VAL 67 -3.141 -19.911 31.344 1.00 62.25 ATOM 1064 CB VAL 67 -1.365 -19.896 32.534 1.00 32.14 ATOM 1065 HB VAL 67 -0.467 -20.488 32.634 1.00 72.14 ATOM 1066 CG1 VAL 67 -0.963 -18.480 32.150 1.00 72.52 ATOM 1067 HG11 VAL 67 -0.669 -17.924 33.033 1.00 73.13 ATOM 1068 HG12 VAL 67 -1.785 -17.969 31.666 1.00 41.54 ATOM 1069 HG13 VAL 67 -0.128 -18.528 31.483 1.00 62.44 ATOM 1070 CG2 VAL 67 -2.086 -19.909 33.874 1.00 24.22 ATOM 1071 HG21 VAL 67 -2.317 -20.927 34.153 1.00 41.54 ATOM 1072 HG22 VAL 67 -3.002 -19.340 33.801 1.00 21.01 ATOM 1073 HG23 VAL 67 -1.451 -19.469 34.632 1.00 31.40 ATOM 1074 C VAL 67 -1.502 -20.483 30.113 1.00 73.33 ATOM 1075 O VAL 67 -1.494 -19.463 29.423 1.00 74.34 ATOM 1076 N HIS 68 -0.874 -21.600 29.759 1.00 33.45 ATOM 1077 HN HIS 68 -0.899 -22.390 30.338 1.00 38.53 ATOM 1078 CA HIS 68 -0.124 -21.694 28.512 1.00 2.13 ATOM 1079 HA HIS 68 0.059 -20.705 28.144 1.00 44.43 ATOM 1080 CB HIS 68 1.222 -22.379 28.753 1.00 41.55 ATOM 1081 HB1 HIS 68 1.683 -22.619 27.801 1.00 38.53 ATOM 1082 HB2 HIS 68 1.058 -23.292 29.305 1.00 13.02 ATOM 1083 CG HIS 68 2.190 -21.541 29.531 1.00 73.13 ATOM 1084 ND1 HIS 68 1.840 -20.852 30.673 1.00 53.14 ATOM 1085 HD1 HIS 68 0.972 -20.858 31.103 1.00 33.44 ATOM 1086 CD2 HIS 68 3.503 -21.285 29.326 1.00 20.22 ATOM 1087 HD2 HIS 68 4.111 -21.664 28.517 1.00 65.14 ATOM 1088 CE1 HIS 68 2.895 -20.207 31.136 1.00 45.11 ATOM 1089 HE1 HIS 68 2.918 -19.585 32.018 1.00 65.34 ATOM 1090 NE2 HIS 68 3.918 -20.454 30.337 1.00 1.32 ATOM 1091 HE2 HIS 68 4.798 -20.027 30.398 1.00 38.53 ATOM 1092 C HIS 68 -0.916 -22.460 27.457 1.00 14.23 ATOM 1093 O HIS 68 -1.579 -23.451 27.762 1.00 20.44 ATOM 1094 N VAL 69 -0.844 -21.993 26.215 1.00 52.51 ATOM 1095 HN VAL 69 -0.287 -21.201 26.024 1.00 38.53 ATOM 1096 CA VAL 69 -1.554 -22.633 25.115 1.00 75.43 ATOM 1097 HA VAL 69 -2.421 -23.150 25.522 1.00 71.21 ATOM 1098 CB VAL 69 -2.066 -21.596 24.097 1.00 31.42 ATOM 1099 HB VAL 69 -1.224 -21.167 23.576 1.00 71.02 ATOM 1100 CG1 VAL 69 -2.961 -22.260 23.062 1.00 63.54 ATOM 1101 HG11 VAL 69 -3.787 -22.751 23.557 1.00 41.10 ATOM 1102 HG12 VAL 69 -2.397 -22.986 22.497 1.00 34.45 ATOM 1103 HG13 VAL 69 -3.347 -21.512 22.383 1.00 53.22 ATOM 1104 CG2 VAL 69 -2.804 -20.472 24.808 1.00 5.22 ATOM 1105 HG21 VAL 69 -3.184 -19.769 24.079 1.00 44.30 ATOM 1106 HG22 VAL 69 -2.129 -19.956 25.475 1.00 10.35 ATOM 1107 HG23 VAL 69 -3.630 -20.879 25.375 1.00 73.12 ATOM 1108 C VAL 69 -0.661 -23.638 24.395 1.00 55.31 ATOM 1109 O VAL 69 0.446 -23.308 23.968 1.00 14.41 ATOM 1110 N THR 70 -1.150 -24.867 24.262 1.00 22.13 ATOM 1111 HN THR 70 -2.027 -25.080 24.635 1.00 38.53 ATOM 1112 CA THR 70 -0.396 -25.921 23.595 1.00 53.13 ATOM 1113 HA THR 70 0.655 -25.652 23.577 1.00 34.54 ATOM 1114 CB THR 70 -0.518 -27.261 24.345 1.00 13.41 ATOM 1115 HB THR 70 0.219 -27.946 23.951 1.00 34.43 ATOM 1116 OG1 THR 70 -1.824 -27.815 24.149 1.00 62.04 ATOM 1117 HG1 THR 70 -2.454 -27.430 24.763 1.00 74.15 ATOM 1118 CG2 THR 70 -0.260 -27.073 25.833 1.00 60.15 ATOM 1119 HG21 THR 70 0.704 -26.607 25.982 1.00 64.42 ATOM 1120 HG22 THR 70 -0.268 -28.037 26.320 1.00 71.14 ATOM 1121 HG23 THR 70 -1.032 -26.451 26.261 1.00 71.33 ATOM 1122 C THR 70 -0.871 -26.111 22.159 1.00 41.14 ATOM 1123 O THR 70 -1.957 -25.664 21.791 1.00 42.14 ATOM 1124 N GLN 71 -0.051 -26.777 21.352 1.00 4.14 ATOM 1125 HN GLN 71 0.810 -27.108 21.706 1.00 38.53 ATOM 1126 CA GLN 71 -0.388 -27.026 19.956 1.00 52.52 ATOM 1127 HA GLN 71 -0.396 -26.076 19.441 1.00 54.21 ATOM 1128 CB GLN 71 0.661 -27.931 19.309 1.00 44.22 ATOM 1129 HB1 GLN 71 0.791 -28.805 19.933 1.00 38.53 ATOM 1130 HB2 GLN 71 1.598 -27.402 19.251 1.00 15.22 ATOM 1131 CG GLN 71 0.286 -28.394 17.910 1.00 23.45 ATOM 1132 HG1 GLN 71 0.226 -27.528 17.270 1.00 38.53 ATOM 1133 HG2 GLN 71 -0.668 -28.896 17.933 1.00 30.44 ATOM 1134 CD GLN 71 1.301 -29.355 17.322 1.00 10.12 ATOM 1135 OE1 GLN 71 2.106 -29.944 18.044 1.00 43.02 ATOM 1136 NE2 GLN 71 1.267 -29.518 16.005 1.00 64.22 ATOM 1137 HE21 GLN 71 0.600 -29.022 15.477 1.00 1.14 ATOM 1138 HE22 GLN 71 1.920 -30.130 15.606 1.00 23.30 ATOM 1139 C GLN 71 -1.769 -27.661 19.834 1.00 13.14 ATOM 1140 O GLN 71 -2.576 -27.258 18.997 1.00 31.21 ATOM 1141 N GLU 72 -2.034 -28.656 20.675 1.00 4.04 ATOM 1142 HN GLU 72 -1.343 -28.946 21.317 1.00 38.53 ATOM 1143 CA GLU 72 -3.317 -29.347 20.660 1.00 34.44 ATOM 1144 HA GLU 72 -3.388 -29.882 19.738 1.00 53.43 ATOM 1145 CB GLU 72 -3.397 -30.347 21.816 1.00 62.43 ATOM 1146 HB1 GLU 72 -4.438 -30.599 21.994 1.00 38.53 ATOM 1147 HB2 GLU 72 -2.994 -29.885 22.707 1.00 3.14 ATOM 1148 CG GLU 72 -2.630 -31.634 21.561 1.00 60.22 ATOM 1149 HG1 GLU 72 -1.597 -31.481 21.837 1.00 38.53 ATOM 1150 HG2 GLU 72 -2.687 -31.886 20.510 1.00 71.03 ATOM 1151 CD GLU 72 -3.174 -32.805 22.356 1.00 53.01 ATOM 1152 OE1 GLU 72 -4.165 -33.419 21.907 1.00 42.50 ATOM 1153 OE2 GLU 72 -2.609 -33.108 23.428 1.00 42.44 ATOM 1154 C GLU 72 -4.472 -28.354 20.753 1.00 3.42 ATOM 1155 O GLU 72 -5.551 -28.587 20.209 1.00 32.12 ATOM 1156 N ASP 73 -4.236 -27.245 21.446 1.00 22.24 ATOM 1157 HN ASP 73 -3.369 -27.123 21.886 1.00 38.53 ATOM 1158 CA ASP 73 -5.255 -26.215 21.611 1.00 44.11 ATOM 1159 HA ASP 73 -6.167 -26.690 21.951 1.00 21.41 ATOM 1160 CB ASP 73 -4.814 -25.195 22.662 1.00 43.23 ATOM 1161 HB1 ASP 73 -5.630 -24.513 22.854 1.00 38.53 ATOM 1162 HB2 ASP 73 -3.972 -24.639 22.294 1.00 21.32 ATOM 1163 CG ASP 73 -4.425 -25.847 23.974 1.00 14.42 ATOM 1164 OD1 ASP 73 -3.829 -25.155 24.827 1.00 74.41 ATOM 1165 OD2 ASP 73 -4.718 -27.048 24.149 1.00 14.32 ATOM 1166 C ASP 73 -5.535 -25.511 20.287 1.00 65.03 ATOM 1167 O ASP 73 -6.669 -25.125 20.005 1.00 50.05 ATOM 1168 N PHE 74 -4.493 -25.346 19.478 1.00 23.43 ATOM 1169 HN PHE 74 -3.604 -25.655 19.761 1.00 38.53 ATOM 1170 CA PHE 74 -4.626 -24.687 18.184 1.00 2.04 ATOM 1171 HA PHE 74 -5.181 -23.766 18.328 1.00 32.35 ATOM 1172 CB PHE 74 -3.246 -24.361 17.610 1.00 64.31 ATOM 1173 HB1 PHE 74 -3.290 -24.381 16.544 1.00 38.53 ATOM 1174 HB2 PHE 74 -2.534 -25.107 17.931 1.00 72.02 ATOM 1175 CG PHE 74 -2.729 -23.011 18.019 1.00 73.41 ATOM 1176 CD1 PHE 74 -1.953 -22.868 19.157 1.00 1.15 ATOM 1177 HD1 PHE 74 -1.720 -23.737 19.756 1.00 33.31 ATOM 1178 CD2 PHE 74 -3.021 -21.886 17.265 1.00 2.01 ATOM 1179 HD2 PHE 74 -3.625 -21.982 16.373 1.00 44.43 ATOM 1180 CE1 PHE 74 -1.476 -21.627 19.537 1.00 61.24 ATOM 1181 HE1 PHE 74 -0.872 -21.529 20.427 1.00 53.42 ATOM 1182 CE2 PHE 74 -2.546 -20.643 17.639 1.00 53.00 ATOM 1183 HE2 PHE 74 -2.781 -19.773 17.043 1.00 21.43 ATOM 1184 CZ PHE 74 -1.774 -20.513 18.777 1.00 61.23 ATOM 1185 HZ PHE 74 -1.410 -19.553 19.071 1.00 63.24 ATOM 1186 C PHE 74 -5.403 -25.562 17.205 1.00 11.04 ATOM 1187 O PHE 74 -6.412 -25.137 16.644 1.00 42.44 ATOM 1188 N GLU 75 -4.925 -26.786 17.007 1.00 62.33 ATOM 1189 HN GLU 75 -4.096 -27.049 17.467 1.00 38.53 ATOM 1190 CA GLU 75 -5.574 -27.721 16.095 1.00 40.44 ATOM 1191 HA GLU 75 -5.562 -27.290 15.105 1.00 13.53 ATOM 1192 CB GLU 75 -4.814 -29.048 16.063 1.00 61.21 ATOM 1193 HB1 GLU 75 -3.848 -28.894 15.621 1.00 38.53 ATOM 1194 HB2 GLU 75 -5.362 -29.751 15.447 1.00 61.44 ATOM 1195 CG GLU 75 -4.615 -29.669 17.436 1.00 41.45 ATOM 1196 HG1 GLU 75 -5.569 -29.775 17.925 1.00 38.53 ATOM 1197 HG2 GLU 75 -3.986 -29.022 18.014 1.00 1.03 ATOM 1198 CD GLU 75 -3.965 -31.037 17.369 1.00 40.04 ATOM 1199 OE1 GLU 75 -4.295 -31.892 18.217 1.00 1.12 ATOM 1200 OE2 GLU 75 -3.127 -31.253 16.469 1.00 61.14 ATOM 1201 C GLU 75 -7.024 -27.962 16.504 1.00 11.20 ATOM 1202 O GLU 75 -7.899 -28.136 15.656 1.00 64.41 ATOM 1203 N MET 76 -7.270 -27.971 17.810 1.00 54.40 ATOM 1204 HN MET 76 -6.528 -27.842 18.446 1.00 38.53 ATOM 1205 CA MET 76 -8.614 -28.190 18.332 1.00 12.24 ATOM 1206 HA MET 76 -8.989 -29.106 17.898 1.00 22.44 ATOM 1207 CB MET 76 -8.579 -28.308 19.857 1.00 2.53 ATOM 1208 HB1 MET 76 -9.461 -27.850 20.281 1.00 38.53 ATOM 1209 HB2 MET 76 -7.723 -27.774 20.234 1.00 52.41 ATOM 1210 CG MET 76 -8.499 -29.742 20.354 1.00 14.13 ATOM 1211 HG1 MET 76 -8.342 -29.728 21.423 1.00 38.53 ATOM 1212 HG2 MET 76 -7.663 -30.234 19.877 1.00 32.32 ATOM 1213 SD MET 76 -9.998 -30.682 20.005 1.00 63.02 ATOM 1214 CE MET 76 -11.225 -29.690 20.852 1.00 31.54 ATOM 1215 HE1 MET 76 -11.435 -28.804 20.272 1.00 34.32 ATOM 1216 HE2 MET 76 -10.849 -29.404 21.823 1.00 4.21 ATOM 1217 HE3 MET 76 -12.132 -30.265 20.972 1.00 33.32 ATOM 1218 C MET 76 -9.549 -27.057 17.920 1.00 73.42 ATOM 1219 O MET 76 -10.664 -27.298 17.458 1.00 15.14 ATOM 1220 N ALA 77 -9.087 -25.823 18.089 1.00 12.13 ATOM 1221 HN ALA 77 -8.186 -25.691 18.471 1.00 38.53 ATOM 1222 CA ALA 77 -9.882 -24.654 17.733 1.00 61.12 ATOM 1223 HA ALA 77 -10.790 -24.671 18.317 1.00 52.31 ATOM 1224 CB ALA 77 -9.126 -23.378 18.074 1.00 73.22 ATOM 1225 HB1 ALA 77 -9.552 -22.542 17.543 1.00 1.24 ATOM 1226 HB2 ALA 77 -8.089 -23.487 17.788 1.00 44.53 ATOM 1227 HB3 ALA 77 -9.185 -23.199 19.137 1.00 43.23 ATOM 1228 C ALA 77 -10.252 -24.673 16.254 1.00 54.43 ATOM 1229 O ALA 77 -11.331 -24.222 15.868 1.00 74.50 ATOM 1230 N VAL 78 -9.351 -25.195 15.429 1.00 65.41 ATOM 1231 HN VAL 78 -8.509 -25.548 15.794 1.00 38.53 ATOM 1232 CA VAL 78 -9.583 -25.273 13.992 1.00 50.34 ATOM 1233 HA VAL 78 -9.769 -24.270 13.625 1.00 3.44 ATOM 1234 CB VAL 78 -8.355 -25.839 13.254 1.00 32.11 ATOM 1235 HB VAL 78 -8.156 -26.832 13.626 1.00 50.33 ATOM 1236 CG1 VAL 78 -8.629 -25.941 11.761 1.00 21.33 ATOM 1237 HG11 VAL 78 -9.026 -26.923 11.552 1.00 2.20 ATOM 1238 HG12 VAL 78 -7.721 -25.803 11.196 1.00 41.32 ATOM 1239 HG13 VAL 78 -9.357 -25.206 11.466 1.00 55.14 ATOM 1240 CG2 VAL 78 -7.130 -24.979 13.522 1.00 5.11 ATOM 1241 HG21 VAL 78 -7.307 -23.974 13.163 1.00 72.03 ATOM 1242 HG22 VAL 78 -6.281 -25.398 13.004 1.00 21.24 ATOM 1243 HG23 VAL 78 -6.923 -24.951 14.566 1.00 54.43 ATOM 1244 C VAL 78 -10.796 -26.141 13.677 1.00 12.31 ATOM 1245 O VAL 78 -11.642 -25.772 12.863 1.00 43.34 ATOM 1246 N ALA 79 -10.875 -27.296 14.329 1.00 73.10 ATOM 1247 HN ALA 79 -10.163 -27.543 14.967 1.00 38.53 ATOM 1248 CA ALA 79 -11.987 -28.216 14.121 1.00 65.11 ATOM 1249 HA ALA 79 -12.044 -28.447 13.065 1.00 65.24 ATOM 1250 CB ALA 79 -11.742 -29.517 14.871 1.00 31.11 ATOM 1251 HB1 ALA 79 -10.804 -29.945 14.548 1.00 11.53 ATOM 1252 HB2 ALA 79 -12.543 -30.213 14.664 1.00 40.44 ATOM 1253 HB3 ALA 79 -11.699 -29.322 15.934 1.00 43.21 ATOM 1254 C ALA 79 -13.306 -27.591 14.559 1.00 55.41 ATOM 1255 O ALA 79 -14.373 -27.956 14.065 1.00 72.33 ATOM 1256 N LYS 80 -13.228 -26.646 15.490 1.00 40.22 ATOM 1257 HN LYS 80 -12.357 -26.405 15.875 1.00 38.53 ATOM 1258 CA LYS 80 -14.416 -25.968 15.995 1.00 70.10 ATOM 1259 HA LYS 80 -15.228 -26.684 16.046 1.00 31.45 ATOM 1260 CB LYS 80 -14.159 -25.425 17.403 1.00 71.54 ATOM 1261 HB1 LYS 80 -13.340 -24.719 17.353 1.00 38.53 ATOM 1262 HB2 LYS 80 -13.858 -26.246 18.038 1.00 32.02 ATOM 1263 CG LYS 80 -15.356 -24.713 18.008 1.00 72.02 ATOM 1264 HG1 LYS 80 -16.068 -24.426 17.246 1.00 38.53 ATOM 1265 HG2 LYS 80 -14.996 -23.818 18.496 1.00 51.25 ATOM 1266 CD LYS 80 -16.045 -25.571 19.056 1.00 63.32 ATOM 1267 HD1 LYS 80 -16.449 -24.922 19.819 1.00 38.53 ATOM 1268 HD2 LYS 80 -15.347 -26.256 19.502 1.00 34.31 ATOM 1269 CE LYS 80 -17.179 -26.386 18.452 1.00 3.40 ATOM 1270 HE1 LYS 80 -16.784 -27.336 18.125 1.00 38.53 ATOM 1271 HE2 LYS 80 -17.601 -25.863 17.603 1.00 41.35 ATOM 1272 NZ LYS 80 -18.269 -26.633 19.436 1.00 50.42 ATOM 1273 HZ1 LYS 80 -19.027 -27.190 18.992 1.00 21.53 ATOM 1274 HZ2 LYS 80 -18.670 -25.731 19.767 1.00 13.20 ATOM 1275 HZ3 LYS 80 -17.903 -27.160 20.257 1.00 2.11 ATOM 1276 C LYS 80 -14.829 -24.830 15.067 1.00 2.24 ATOM 1277 O LYS 80 -15.983 -24.746 14.646 1.00 3.05 ATOM 1278 N VAL 81 -13.879 -23.956 14.751 1.00 5.33 ATOM 1279 HN VAL 81 -12.969 -24.089 15.104 1.00 38.53 ATOM 1280 CA VAL 81 -14.143 -22.824 13.871 1.00 0.22 ATOM 1281 HA VAL 81 -14.990 -22.275 14.268 1.00 64.13 ATOM 1282 CB VAL 81 -12.936 -21.869 13.807 1.00 52.20 ATOM 1283 HB VAL 81 -12.084 -22.416 13.426 1.00 14.31 ATOM 1284 CG1 VAL 81 -13.220 -20.712 12.861 1.00 14.12 ATOM 1285 HG11 VAL 81 -14.167 -20.253 13.114 1.00 22.42 ATOM 1286 HG12 VAL 81 -13.252 -21.067 11.842 1.00 33.54 ATOM 1287 HG13 VAL 81 -12.434 -19.972 12.945 1.00 1.24 ATOM 1288 CG2 VAL 81 -12.587 -21.359 15.197 1.00 44.42 ATOM 1289 HG21 VAL 81 -13.409 -20.770 15.582 1.00 2.05 ATOM 1290 HG22 VAL 81 -11.702 -20.741 15.142 1.00 24.40 ATOM 1291 HG23 VAL 81 -12.400 -22.180 15.863 1.00 0.52 ATOM 1292 C VAL 81 -14.482 -23.292 12.461 1.00 72.05 ATOM 1293 O VAL 81 -15.201 -22.614 11.727 1.00 34.40 ATOM 1294 N MET 82 -13.960 -24.456 12.088 1.00 43.35 ATOM 1295 HN MET 82 -13.382 -24.959 12.706 1.00 38.53 ATOM 1296 CA MET 82 -14.209 -25.016 10.764 1.00 1.23 ATOM 1297 HA MET 82 -14.463 -24.214 10.084 1.00 20.33 ATOM 1298 CB MET 82 -12.957 -25.724 10.243 1.00 71.12 ATOM 1299 HB1 MET 82 -13.175 -26.150 9.272 1.00 38.53 ATOM 1300 HB2 MET 82 -12.695 -26.524 10.917 1.00 64.33 ATOM 1301 CG MET 82 -11.756 -24.804 10.092 1.00 35.14 ATOM 1302 HG1 MET 82 -10.889 -25.402 9.854 1.00 38.53 ATOM 1303 HG2 MET 82 -11.587 -24.286 11.024 1.00 71.53 ATOM 1304 SD MET 82 -11.985 -23.570 8.798 1.00 50.01 ATOM 1305 CE MET 82 -11.503 -24.506 7.349 1.00 74.12 ATOM 1306 HE1 MET 82 -10.431 -24.479 7.248 1.00 33.30 ATOM 1307 HE2 MET 82 -11.958 -24.076 6.477 1.00 1.20 ATOM 1308 HE3 MET 82 -11.828 -25.531 7.453 1.00 1.02 ATOM 1309 C MET 82 -15.382 -25.990 10.799 1.00 62.43 ATOM 1310 O MET 82 -16.052 -26.203 9.789 1.00 74.20 ATOM 1311 N GLN 83 -15.622 -26.579 11.966 1.00 74.02 ATOM 1312 HN GLN 83 -15.052 -26.398 12.743 1.00 38.53 ATOM 1313 CA GLN 83 -16.714 -27.532 12.130 1.00 40.24 ATOM 1314 HA GLN 83 -16.724 -27.850 13.162 1.00 64.41 ATOM 1315 CB GLN 83 -18.052 -26.867 11.802 1.00 33.41 ATOM 1316 HB1 GLN 83 -18.845 -27.543 12.095 1.00 38.53 ATOM 1317 HB2 GLN 83 -18.124 -26.689 10.739 1.00 41.25 ATOM 1318 CG GLN 83 -18.266 -25.544 12.519 1.00 35.45 ATOM 1319 HG1 GLN 83 -17.595 -24.809 12.099 1.00 38.53 ATOM 1320 HG2 GLN 83 -18.046 -25.672 13.570 1.00 54.31 ATOM 1321 CD GLN 83 -19.687 -25.032 12.388 1.00 73.41 ATOM 1322 OE1 GLN 83 -20.531 -25.665 11.752 1.00 31.24 ATOM 1323 NE2 GLN 83 -19.960 -23.881 12.990 1.00 41.53 ATOM 1324 HE21 GLN 83 -19.246 -23.418 13.485 1.00 34.22 ATOM 1325 HE22 GLN 83 -20.874 -23.534 12.917 1.00 1.02 ATOM 1326 C GLN 83 -16.508 -28.754 11.240 1.00 12.43 ATOM 1327 O GLN 83 -17.465 -29.310 10.700 1.00 25.02 ATOM 1328 N LYS 84 -15.254 -29.166 11.092 1.00 71.54 ATOM 1329 HN LYS 84 -14.524 -28.687 11.549 1.00 38.53 ATOM 1330 CA LYS 84 -14.921 -30.323 10.269 1.00 74.14 ATOM 1331 HA LYS 84 -15.703 -31.065 10.395 1.00 24.14 ATOM 1332 CB LYS 84 -14.862 -29.924 8.792 1.00 25.24 ATOM 1333 HB1 LYS 84 -15.846 -29.582 8.499 1.00 38.53 ATOM 1334 HB2 LYS 84 -14.604 -30.793 8.200 1.00 32.14 ATOM 1335 CG LYS 84 -13.852 -28.828 8.499 1.00 13.30 ATOM 1336 HG1 LYS 84 -12.893 -29.283 8.295 1.00 38.53 ATOM 1337 HG2 LYS 84 -13.763 -28.177 9.352 1.00 40.35 ATOM 1338 CD LYS 84 -14.268 -27.994 7.298 1.00 24.24 ATOM 1339 HD1 LYS 84 -13.536 -27.215 7.145 1.00 38.53 ATOM 1340 HD2 LYS 84 -15.233 -27.548 7.492 1.00 5.51 ATOM 1341 CE LYS 84 -14.358 -28.840 6.037 1.00 2.32 ATOM 1342 HE1 LYS 84 -15.086 -29.625 6.182 1.00 38.53 ATOM 1343 HE2 LYS 84 -13.391 -29.279 5.839 1.00 54.44 ATOM 1344 NZ LYS 84 -14.767 -28.031 4.855 1.00 23.14 ATOM 1345 HZ1 LYS 84 -15.703 -27.602 5.016 1.00 5.25 ATOM 1346 HZ2 LYS 84 -14.820 -28.637 4.012 1.00 3.24 ATOM 1347 HZ3 LYS 84 -14.075 -27.273 4.678 1.00 40.13 ATOM 1348 C LYS 84 -13.589 -30.930 10.696 1.00 30.24 ATOM 1349 O LYS 84 -12.580 -30.231 10.793 1.00 32.21 ATOM 1350 N ASP 85 -13.593 -32.234 10.950 1.00 64.21 ATOM 1351 HN ASP 85 -14.427 -32.749 10.842 1.00 38.53 ATOM 1352 CA ASP 85 -12.383 -32.936 11.365 1.00 53.32 ATOM 1353 HA ASP 85 -11.694 -32.217 11.798 1.00 53.34 ATOM 1354 CB ASP 85 -12.717 -33.989 12.422 1.00 23.41 ATOM 1355 HB1 ASP 85 -13.187 -34.846 11.957 1.00 38.53 ATOM 1356 HB2 ASP 85 -13.404 -33.560 13.138 1.00 31.44 ATOM 1357 CG ASP 85 -11.489 -34.460 13.177 1.00 34.24 ATOM 1358 OD1 ASP 85 -11.199 -33.892 14.251 1.00 20.23 ATOM 1359 OD2 ASP 85 -10.820 -35.397 12.695 1.00 22.22 ATOM 1360 C ASP 85 -11.700 -33.594 10.170 1.00 31.23 ATOM 1361 O ASP 85 -11.553 -34.815 10.122 1.00 22.34 ATOM 1362 N SER 86 -11.286 -32.777 9.207 1.00 1.14 ATOM 1363 HN SER 86 -11.414 -31.806 9.299 1.00 38.53 ATOM 1364 HA SER 86 -10.599 -34.363 8.040 1.00 10.44 ATOM 1365 CB SER 86 -11.392 -32.855 6.758 1.00 33.13 ATOM 1366 HB1 SER 86 -12.283 -33.459 6.671 1.00 38.53 ATOM 1367 HB2 SER 86 -10.781 -32.996 5.876 1.00 33.12 ATOM 1368 OG SER 86 -11.779 -31.494 6.835 1.00 31.01 ATOM 1369 HG SER 86 -12.224 -31.241 6.023 1.00 4.44 ATOM 1370 CA SER 86 -10.623 -33.280 8.010 1.00 23.33 ATOM 1371 C SER 86 -9.185 -32.776 7.933 1.00 41.10 ATOM 1372 OT1 SER 86 -8.267 -33.619 7.838 1.00 38.53 ATOM 1373 OT2 SER 86 -8.983 -31.542 7.980 1.00 38.53 ATOM 1374 OH2 TIP3 1 -12.512 -30.810 -2.327 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -12.561 -31.765 -2.364 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -13.338 -30.542 -1.925 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.230 -26.942 -1.220 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.030 -26.518 -2.055 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -14.574 -26.599 -0.613 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.629 -30.960 -0.996 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.980 -31.816 -0.753 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -17.903 -30.817 -0.389 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -14.787 -32.923 0.216 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -15.653 -33.028 0.610 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -14.411 -32.164 0.663 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -14.865 -29.659 -1.614 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -15.647 -29.845 -2.134 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -14.937 -28.730 -1.397 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -19.315 -35.773 7.272 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -19.226 -34.829 7.140 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -19.954 -36.048 6.614 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -20.382 -36.518 10.691 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -20.420 -37.164 11.396 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -20.705 -36.984 9.920 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -21.993 -34.085 11.097 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -21.689 -34.771 10.503 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -21.271 -33.967 11.715 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -13.330 -42.484 11.958 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -13.281 -41.874 12.694 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -12.904 -42.023 11.235 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -12.938 -41.006 14.194 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -13.627 -40.348 14.099 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -12.923 -41.203 15.131 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -19.518 -33.172 6.315 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -19.814 -33.494 5.464 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -19.842 -32.272 6.357 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.188 -36.319 5.676 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -17.920 -36.091 6.249 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -16.741 -37.033 6.131 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.291 -38.145 14.744 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -17.211 -37.382 15.316 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -17.892 -37.866 14.053 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -24.176 -32.261 10.240 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -24.271 -32.839 9.483 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -23.447 -32.632 10.736 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -20.591 -30.420 6.796 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -20.117 -30.125 7.574 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -21.154 -29.682 6.563 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -13.429 -31.041 1.551 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -13.356 -30.102 1.721 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -12.524 -31.346 1.494 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.533 -31.236 15.405 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.446 -30.410 15.880 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -22.397 -31.566 15.654 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -21.119 -27.464 5.211 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -21.194 -27.585 4.265 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -21.086 -26.514 5.330 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.017 -28.310 2.214 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.642 -29.054 1.743 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.013 -28.580 3.132 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -15.360 -39.317 17.009 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -15.767 -38.836 16.289 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -15.319 -40.222 16.702 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -19.700 -37.776 13.311 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -19.376 -38.407 12.668 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -20.140 -38.311 13.972 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -20.912 -34.276 15.318 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -21.258 -34.657 16.124 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -21.112 -33.342 15.389 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -20.306 -33.001 3.106 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -20.601 -32.175 3.488 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -21.009 -33.621 3.302 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -18.662 -31.814 15.268 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.563 -31.631 15.000 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -18.628 -31.555 16.189 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -12.931 -39.569 3.635 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -13.485 -39.965 2.963 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -12.830 -38.659 3.358 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -17.475 -35.975 11.122 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.403 -36.207 11.095 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -17.024 -36.752 10.792 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.990 -29.835 13.146 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -22.627 -28.980 12.913 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -22.458 -30.127 13.887 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -24.821 -28.962 6.376 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -25.771 -28.857 6.428 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -24.470 -28.142 6.721 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -19.446 -33.736 12.847 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.872 -33.963 13.673 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.865 -34.474 12.664 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.243 -32.807 1.921 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -16.890 -33.187 2.725 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -18.192 -32.900 2.007 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.377 -34.134 4.147 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.654 -34.862 4.703 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -15.450 -34.015 4.353 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.477 -30.427 3.573 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -22.294 -29.930 3.626 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.948 -29.952 2.933 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -16.604 -38.186 9.661 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -17.401 -38.601 9.332 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -16.159 -38.877 10.152 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -25.206 -29.340 19.131 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -24.438 -29.799 19.472 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -25.227 -29.566 18.201 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -21.114 -29.832 0.506 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -21.758 -30.463 0.828 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -20.352 -30.363 0.274 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.629 -30.960 17.860 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -18.980 -31.816 18.103 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -17.903 -30.817 18.467 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -16.510 -30.015 0.740 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -16.227 -30.809 1.193 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.770 -29.782 0.179 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -17.506 -34.563 15.281 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -16.761 -33.975 15.161 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -18.263 -33.981 15.344 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -13.945 -35.535 0.611 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -14.218 -35.960 -0.202 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -13.905 -34.604 0.394 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -17.051 -36.472 17.180 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -17.332 -35.763 16.602 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -16.108 -36.545 17.029 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -14.787 -32.923 19.072 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -15.653 -33.028 19.466 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -14.411 -32.164 19.519 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -13.092 -36.613 6.410 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -13.818 -37.092 6.808 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -12.511 -36.407 7.142 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -12.824 -36.712 2.801 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -13.345 -36.355 2.082 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -12.857 -36.037 3.479 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.305 -38.092 6.973 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -15.455 -39.037 6.953 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -15.659 -37.811 7.817 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -14.449 -36.122 16.612 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -13.866 -36.856 16.803 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -13.885 -35.350 16.658 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -12.952 -38.219 17.296 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -13.815 -38.598 17.131 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -12.348 -38.958 17.222 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -14.983 -39.928 10.871 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -14.050 -39.716 10.837 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.218 -39.826 11.794 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -14.954 -39.191 13.647 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -15.797 -38.923 14.013 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -14.511 -38.369 13.436 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -25.724 -30.286 13.886 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -26.149 -29.477 13.603 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -24.819 -30.201 13.584 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -21.413 -28.887 16.845 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -21.228 -29.221 17.723 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -20.566 -28.578 16.523 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -25.855 -27.430 12.963 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -26.720 -27.358 13.367 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -25.910 -26.883 12.179 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -26.766 -29.697 9.499 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -26.985 -30.613 9.668 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -25.942 -29.557 9.965 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -24.229 -29.227 10.347 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -24.016 -30.115 10.060 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -24.164 -29.261 11.302 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.792 -27.973 2.412 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -19.926 -27.607 2.234 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -21.039 -28.413 1.599 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -16.676 -33.579 27.849 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -17.117 -34.299 28.299 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -16.689 -32.858 28.479 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -19.565 -28.474 28.061 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -18.945 -29.151 27.788 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -19.773 -28.692 28.969 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -19.518 -33.172 25.171 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -19.814 -33.494 24.320 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -19.842 -32.272 25.213 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -16.164 -31.739 30.197 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -17.106 -31.681 30.358 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -15.888 -30.833 30.060 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -17.912 -29.958 26.822 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -17.487 -30.665 26.337 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -17.595 -29.157 26.405 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -16.753 -32.057 25.331 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -17.010 -32.747 24.719 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -16.682 -32.500 26.176 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -18.867 -31.417 30.782 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -19.108 -30.755 31.430 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -19.065 -32.251 31.207 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -20.591 -30.420 25.652 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.117 -30.125 26.430 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -21.154 -29.682 25.419 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -12.512 -30.810 35.385 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -12.561 -31.765 35.348 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -13.338 -30.542 35.787 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -21.119 -27.464 24.067 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -21.194 -27.585 23.121 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -21.086 -26.514 24.186 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.348 -28.384 23.819 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -19.283 -28.284 23.998 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.068 -29.093 24.397 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.230 -26.942 36.492 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.030 -26.518 35.657 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.574 -26.599 37.099 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -20.306 -33.001 21.962 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -20.601 -32.175 22.344 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -21.009 -33.621 22.158 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -14.635 -30.783 22.956 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -15.008 -31.609 23.266 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -14.358 -30.966 22.059 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -17.243 -32.807 20.777 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.890 -33.187 21.581 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -18.192 -32.900 20.863 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -16.787 -29.184 34.172 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -17.389 -29.739 33.677 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -16.506 -28.517 33.546 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -16.377 -34.134 23.003 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -16.654 -34.862 23.559 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -15.450 -34.015 23.209 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -23.152 -31.695 19.224 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -22.913 -32.443 18.676 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -23.421 -32.083 20.056 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -21.477 -30.427 22.429 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -22.294 -29.930 22.482 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -20.948 -29.952 21.789 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -24.139 -29.384 22.411 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -23.978 -28.584 21.910 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -24.336 -29.077 23.296 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.517 -28.930 30.139 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -15.673 -28.252 29.482 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -14.585 -28.858 30.342 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -21.114 -29.832 19.362 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -21.758 -30.463 19.684 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -20.352 -30.363 19.130 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -20.203 -33.058 19.189 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -20.471 -32.878 20.090 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -20.409 -33.984 19.058 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.945 -35.535 19.467 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -14.218 -35.960 18.654 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.905 -34.604 19.250 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -23.437 -27.199 21.023 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -22.504 -27.041 21.167 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -23.701 -26.524 20.398 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.486 -34.666 23.442 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -12.636 -34.245 23.570 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.481 -35.406 24.050 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -13.333 -33.828 30.214 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -12.499 -34.206 29.933 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -13.221 -32.885 30.095 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.846 -30.950 32.521 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.494 -30.625 33.146 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.364 -31.390 31.846 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -12.824 -36.712 21.657 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -13.345 -36.355 20.938 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -12.857 -36.037 22.335 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -21.144 -27.542 30.995 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -21.601 -27.013 30.341 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -20.981 -26.939 31.720 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -18.817 -28.664 31.940 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -19.721 -28.499 31.674 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -18.388 -27.811 31.874 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -16.212 -27.094 32.235 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -16.394 -26.178 32.024 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -16.036 -27.504 31.388 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -14.865 -29.659 36.098 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -15.647 -29.845 35.578 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -14.937 -28.730 36.315 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -13.429 -31.041 39.263 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -13.356 -30.102 39.433 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -12.524 -31.346 39.206 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -12.739 -28.327 39.834 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -11.996 -27.741 39.694 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -13.434 -27.759 40.167 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.330 -23.628 -6.898 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.281 -23.018 -6.162 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -12.904 -23.167 -7.621 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.864 -24.597 -6.098 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -16.600 -23.986 -6.136 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -15.180 -24.182 -6.624 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -15.067 -14.635 -3.904 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -14.927 -15.226 -4.643 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -14.899 -13.762 -4.260 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.225 -18.295 -5.838 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -13.877 -17.600 -5.749 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.760 -18.085 -6.648 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.291 -19.289 -4.112 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.211 -18.526 -3.540 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -17.892 -19.010 -4.803 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.360 -20.461 -1.847 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -15.767 -19.980 -2.567 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.319 -21.366 -2.154 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.603 -22.129 -3.626 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -18.117 -22.255 -2.829 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.758 -21.217 -3.871 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.230 -8.086 -1.220 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -15.030 -7.662 -2.055 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -14.574 -7.743 -0.613 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -15.282 -16.471 -5.989 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -14.640 -16.014 -6.532 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -16.112 -16.358 -6.451 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -12.967 -14.913 -2.384 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -13.819 -14.675 -2.751 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -12.377 -14.930 -3.137 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -16.787 -10.328 -3.540 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -17.389 -10.883 -4.035 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -16.506 -9.661 -4.166 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -15.206 -23.081 -3.291 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -16.122 -22.818 -3.379 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.870 -23.084 -4.188 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.629 -12.104 -0.996 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.980 -12.960 -0.753 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.903 -11.961 -0.389 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -17.506 -15.707 -3.575 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -16.761 -15.119 -3.695 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -18.263 -15.125 -3.512 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -18.367 -20.405 0.246 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.175 -21.336 0.135 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -17.510 -19.980 0.236 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.051 -17.616 -1.676 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -17.332 -16.907 -2.254 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.108 -17.689 -1.827 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -17.945 -24.120 0.054 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -18.042 -25.072 0.048 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -18.267 -23.851 0.915 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.801 -9.424 -7.344 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -12.823 -9.239 -6.405 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -12.111 -8.855 -7.685 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -13.238 -9.857 -4.422 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -13.725 -10.592 -4.793 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -12.689 -10.250 -3.744 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -14.787 -14.067 0.216 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.653 -14.172 0.610 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.411 -13.308 0.663 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.333 -14.972 -7.498 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -12.499 -15.350 -7.779 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -13.221 -14.029 -7.617 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -14.846 -12.094 -5.191 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -15.494 -11.769 -4.566 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -15.364 -12.534 -5.866 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -14.449 -17.266 -2.244 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -13.866 -18.000 -2.053 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -13.885 -16.494 -2.198 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -14.983 -21.072 -7.985 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.050 -20.860 -8.019 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -15.218 -20.970 -7.062 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -14.954 -20.335 -5.209 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -15.797 -20.067 -4.843 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -14.511 -19.513 -5.420 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -13.151 -24.246 -1.506 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -14.068 -23.975 -1.542 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -13.028 -24.781 -2.290 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -14.150 -26.156 -3.687 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -14.963 -25.831 -4.075 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -13.917 -26.916 -4.220 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -16.212 -8.238 -5.477 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -16.394 -7.322 -5.688 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -16.036 -8.648 -6.324 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -18.041 -26.876 -0.307 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -17.965 -27.302 0.547 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -17.148 -26.862 -0.649 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -19.315 -16.917 7.272 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -19.226 -15.973 7.140 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -19.954 -17.192 6.614 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -20.382 -17.662 10.691 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -20.420 -18.308 11.396 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -20.705 -18.128 9.920 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -16.676 -14.723 8.993 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -17.117 -15.443 9.443 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -16.689 -14.002 9.623 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -25.697 -22.734 8.697 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -25.654 -21.874 8.279 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -26.155 -23.286 8.064 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -17.975 -22.603 7.098 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -17.329 -22.932 7.723 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -17.465 -22.085 6.475 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -23.921 -18.787 8.675 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -23.305 -19.313 9.184 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -24.507 -19.427 8.271 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -26.887 -23.816 12.771 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -27.106 -23.286 12.005 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -27.555 -23.589 13.419 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -19.518 -14.316 6.315 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -19.814 -14.638 5.464 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -19.842 -13.416 6.357 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -27.293 -21.924 10.724 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -26.680 -21.291 11.097 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -26.781 -22.396 10.067 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.164 -12.883 11.341 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.106 -12.825 11.502 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.888 -11.977 11.204 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -17.912 -11.102 7.966 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.487 -11.809 7.481 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.595 -10.301 7.549 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -16.753 -13.201 6.475 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -17.010 -13.891 5.863 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -16.682 -13.644 7.320 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.067 -14.635 14.952 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -14.927 -15.226 14.213 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -14.899 -13.762 14.596 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -20.594 -17.673 4.724 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -21.306 -17.138 4.373 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -19.903 -17.617 4.064 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -17.188 -17.463 5.676 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.920 -17.235 6.249 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -16.741 -18.177 6.131 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.291 -19.289 14.744 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -17.211 -18.526 15.316 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.892 -19.010 14.053 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -18.867 -12.561 11.926 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -19.108 -11.899 12.574 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -19.065 -13.395 12.351 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -18.317 -18.301 3.361 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -17.738 -18.151 4.108 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -17.903 -17.830 2.638 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -18.017 -9.454 2.214 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -17.642 -10.198 1.743 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -18.013 -9.724 3.132 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -25.592 -25.607 11.002 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -26.453 -25.694 10.594 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -25.614 -24.751 11.429 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -16.840 -17.268 0.991 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -16.798 -17.491 0.061 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -15.991 -16.870 1.181 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -25.501 -20.641 12.097 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -26.143 -20.682 12.806 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -25.464 -19.715 11.859 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -19.968 -20.004 5.826 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -20.377 -19.189 5.534 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -19.248 -20.144 5.211 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.866 -19.829 17.314 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -21.429 -20.533 17.634 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.040 -19.949 17.781 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.964 -20.558 8.640 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -19.159 -19.953 7.925 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.782 -21.392 8.205 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -19.700 -18.920 13.311 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.376 -19.551 12.668 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.140 -19.455 13.972 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.922 -22.993 8.095 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -23.833 -22.936 8.384 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -22.417 -23.053 8.906 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -15.230 -8.086 17.636 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -15.030 -7.662 16.801 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -14.574 -7.743 18.243 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -21.602 -20.205 9.982 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -21.038 -20.752 9.435 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -21.750 -20.727 10.771 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.282 -16.471 12.867 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -14.640 -16.014 12.324 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -16.112 -16.358 12.405 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.534 -22.790 2.280 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -19.472 -22.678 2.129 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.237 -21.933 2.586 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.816 -20.923 3.941 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -16.924 -21.060 4.260 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -17.759 -20.132 3.404 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -23.282 -18.331 17.378 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -23.578 -18.497 16.483 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -22.351 -18.551 17.368 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -14.635 -11.927 4.100 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -15.008 -12.753 4.410 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -14.358 -12.110 3.203 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -17.475 -17.119 11.122 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -18.403 -17.351 11.095 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -17.024 -17.896 10.792 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -17.243 -13.951 1.921 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -16.890 -14.331 2.725 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -18.192 -14.044 2.007 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -16.787 -10.328 15.316 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.389 -10.883 14.821 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.506 -9.661 14.690 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -16.377 -15.278 4.147 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -16.654 -16.006 4.703 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -15.450 -15.159 4.353 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -19.146 -23.702 4.710 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -18.926 -23.230 3.907 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.588 -23.307 5.381 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -21.946 -21.974 5.545 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -21.134 -21.470 5.591 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -22.191 -22.119 6.459 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -21.062 -24.893 6.483 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -21.409 -24.275 7.128 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -20.404 -24.392 6.002 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -15.517 -10.074 11.283 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -15.673 -9.396 10.626 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -14.585 -10.002 11.486 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -28.022 -25.956 10.020 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -28.251 -25.897 9.093 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -28.465 -26.748 10.327 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.510 -11.159 0.740 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.227 -11.953 1.193 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.770 -10.926 0.179 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -17.506 -15.707 15.281 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -16.761 -15.119 15.161 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -18.263 -15.125 15.344 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -25.117 -19.384 15.259 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -25.735 -18.709 15.540 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -24.773 -19.063 14.426 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -20.097 -16.913 18.537 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.144 -16.829 18.509 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -20.257 -17.624 19.156 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -24.777 -22.029 16.342 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -24.627 -22.758 15.739 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -24.775 -21.252 15.783 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -24.365 -23.659 13.834 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -23.829 -23.208 13.182 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -25.217 -23.767 13.412 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -22.783 -18.220 14.074 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -22.032 -18.376 13.501 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -23.122 -17.368 13.798 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -17.051 -17.616 17.180 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -17.332 -16.907 16.602 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -16.108 -17.689 17.029 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -22.295 -21.881 17.829 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -22.531 -22.101 18.731 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -23.078 -22.088 17.320 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -19.579 -22.754 16.905 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -20.527 -22.722 17.037 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -19.267 -23.379 17.559 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -23.337 -26.909 16.937 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -22.625 -27.549 16.923 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -23.438 -26.642 16.023 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -22.984 -25.226 18.991 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -23.115 -25.702 18.170 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -23.583 -24.482 18.935 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -12.801 -9.424 11.512 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -12.823 -9.239 12.451 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -12.111 -8.855 11.171 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.787 -14.067 19.072 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -15.653 -14.172 19.466 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.411 -13.308 19.519 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -14.846 -12.094 13.665 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -15.494 -11.769 14.290 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -15.364 -12.534 12.990 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -14.475 -20.616 1.352 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -14.378 -19.949 0.672 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -14.615 -21.432 0.870 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -15.227 -23.208 0.469 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -14.617 -23.580 1.106 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -16.064 -23.630 0.665 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -16.063 -9.334 7.084 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -15.410 -9.681 6.476 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -15.552 -8.845 7.730 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -16.212 -8.238 13.379 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -16.394 -7.322 13.168 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -16.036 -8.648 12.532 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -23.814 -26.146 7.127 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.940 -25.758 7.097 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.950 -26.361 8.050 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -14.083 -9.554 5.092 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -14.277 -10.302 4.527 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -14.122 -8.796 4.508 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -14.865 -10.803 17.242 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -15.647 -10.989 16.722 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -14.937 -9.874 17.459 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -19.315 -16.917 26.128 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -19.226 -15.973 25.996 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.954 -17.192 25.470 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.676 -14.723 27.849 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -17.117 -15.443 28.299 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -16.689 -14.002 28.479 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -18.852 -20.835 30.281 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -18.709 -21.782 30.301 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -18.958 -20.628 29.352 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -19.518 -14.316 25.171 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -19.814 -14.638 24.320 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.842 -13.416 25.213 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.164 -12.883 30.197 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -17.106 -12.825 30.358 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -15.888 -11.977 30.060 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.753 -13.201 25.331 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -17.010 -13.891 24.719 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.682 -13.644 26.176 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -15.067 -14.635 33.808 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -14.927 -15.226 33.069 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -14.899 -13.762 33.452 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -20.594 -17.673 23.580 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -21.306 -17.138 23.229 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.903 -17.617 22.920 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -20.540 -19.215 20.619 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -19.839 -19.193 21.270 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -20.238 -19.843 19.963 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -13.225 -18.295 31.874 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -13.877 -17.600 31.963 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.760 -18.085 31.064 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -18.317 -18.301 22.217 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -17.738 -18.151 22.964 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -17.903 -17.830 21.494 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -13.429 -12.185 20.407 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -13.356 -11.246 20.577 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -12.524 -12.490 20.350 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -15.360 -20.461 35.865 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.767 -19.980 35.145 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -15.319 -21.366 35.558 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -17.603 -22.129 34.086 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -18.117 -22.255 34.883 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -17.758 -21.217 33.841 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -21.267 -23.392 20.517 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -21.521 -23.373 21.440 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -21.524 -24.264 20.216 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -19.968 -20.004 24.682 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -20.377 -19.189 24.390 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -19.248 -20.144 24.067 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -18.964 -20.558 27.496 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -19.159 -19.953 26.781 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -18.782 -21.392 27.061 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -24.385 -22.947 19.618 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -24.816 -23.392 20.348 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -25.103 -22.575 19.106 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -22.922 -22.993 26.951 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -23.833 -22.936 27.240 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -22.417 -23.053 27.762 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -18.517 -23.758 30.215 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -19.194 -23.627 30.879 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -19.003 -23.913 29.405 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.282 -16.471 31.723 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -14.640 -16.014 31.180 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -16.112 -16.358 31.261 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -18.534 -22.790 21.136 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -19.472 -22.678 20.985 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -18.237 -21.933 21.442 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -17.816 -20.923 22.797 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.924 -21.060 23.116 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -17.759 -20.132 22.260 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -12.967 -14.913 35.328 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -13.819 -14.675 34.961 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -12.377 -14.930 34.575 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.635 -11.927 22.956 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.008 -12.753 23.266 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.358 -12.110 22.059 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.475 -17.119 29.978 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -18.403 -17.351 29.951 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -17.024 -17.896 29.648 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -17.243 -13.951 20.777 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.890 -14.331 21.581 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.192 -14.044 20.863 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -12.739 -9.471 20.978 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -11.996 -8.885 20.838 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -13.434 -8.903 21.311 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -16.377 -15.278 23.003 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -16.654 -16.006 23.559 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -15.450 -15.159 23.209 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -19.146 -23.702 23.566 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -18.926 -23.230 22.763 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.588 -23.307 24.237 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -21.946 -21.974 24.401 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -21.134 -21.470 24.447 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -22.191 -22.119 25.315 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -21.062 -24.893 25.339 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -21.409 -24.275 25.984 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -20.404 -24.392 24.858 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -15.206 -23.081 34.421 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.122 -22.818 34.333 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -14.870 -23.084 33.524 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.604 -19.330 28.517 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -17.401 -19.745 28.188 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -16.159 -20.021 29.008 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -16.510 -11.159 19.596 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -16.227 -11.953 20.049 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.770 -10.926 19.035 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -18.367 -20.405 37.958 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -18.175 -21.336 37.847 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -17.510 -19.980 37.948 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -17.945 -24.120 37.766 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -18.042 -25.072 37.760 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -18.267 -23.851 38.627 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -13.333 -14.972 30.214 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -12.499 -15.350 29.933 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -13.221 -14.029 30.095 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.449 -17.266 35.468 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.866 -18.000 35.659 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.885 -16.494 35.514 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -14.983 -21.072 29.727 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -14.050 -20.860 29.693 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.218 -20.970 30.650 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.954 -20.335 32.503 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -15.797 -20.067 32.869 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.511 -19.513 32.292 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.671 -26.355 37.857 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -12.321 -27.009 37.251 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -12.524 -25.518 37.417 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -20.720 -24.707 28.348 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -21.395 -25.336 28.603 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -20.156 -25.191 27.745 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -22.670 -24.066 22.873 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -22.492 -24.712 23.556 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -22.724 -23.232 23.340 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.083 -9.554 23.948 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.277 -10.302 23.383 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.122 -8.796 23.364 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -14.619 -26.551 40.886 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -15.518 -26.412 41.181 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -14.367 -25.720 40.484 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -16.840 -17.268 38.703 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -16.798 -17.491 37.773 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -15.991 -16.870 38.893 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -12.931 -20.713 41.347 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -13.485 -21.109 40.675 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -12.830 -19.803 41.070 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -13.945 -16.679 38.323 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -14.218 -17.104 37.510 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.905 -15.748 38.106 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -13.092 -17.757 44.122 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -13.818 -18.236 44.520 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -12.511 -17.551 44.854 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -12.824 -17.856 40.513 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -13.345 -17.499 39.794 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -12.857 -17.181 41.191 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -14.475 -20.616 39.064 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -14.378 -19.949 38.384 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -14.615 -21.432 38.582 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -15.227 -23.208 38.181 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.617 -23.580 38.818 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.064 -23.630 38.377 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -15.595 -21.653 43.147 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -15.315 -22.560 43.272 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.836 -21.219 42.758 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.981 -24.390 43.196 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -14.799 -24.839 44.021 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -15.581 -24.975 42.732 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -13.330 -4.772 -6.898 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -13.281 -4.162 -6.162 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -12.904 -4.311 -7.621 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -12.938 -3.294 -4.662 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -13.627 -2.636 -4.757 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -12.923 -3.491 -3.725 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.067 4.221 -3.904 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.927 3.630 -4.643 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.899 5.094 -4.260 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.225 0.561 -5.838 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -13.877 1.256 -5.749 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -12.760 0.771 -6.648 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -12.512 6.902 -2.327 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -12.561 5.947 -2.364 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -13.338 7.170 -1.925 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -15.360 -1.605 -1.847 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -15.767 -1.124 -2.567 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -15.319 -2.510 -2.154 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.282 2.385 -5.989 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -14.640 2.842 -6.532 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -16.112 2.498 -6.451 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.967 3.943 -2.384 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.819 4.181 -2.751 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.377 3.926 -3.137 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.206 -4.225 -3.291 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -16.122 -3.962 -3.379 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.870 -4.228 -4.188 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -17.051 1.240 -1.676 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -17.332 1.949 -2.254 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -16.108 1.167 -1.827 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.945 -5.264 0.054 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -18.042 -6.216 0.048 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -18.267 -4.995 0.915 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -14.787 4.789 0.216 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -15.653 4.684 0.610 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -14.411 5.548 0.663 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.449 1.590 -2.244 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -13.866 0.856 -2.053 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -13.885 2.362 -2.198 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.954 -1.479 -5.209 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.797 -1.211 -4.843 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.511 -0.657 -5.420 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -14.150 -7.300 -3.687 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.963 -6.975 -4.075 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.917 -8.060 -4.220 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -18.041 -8.020 -0.307 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.965 -8.446 0.547 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.148 -8.006 -0.649 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.619 -7.695 3.174 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.518 -7.556 3.469 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.367 -6.864 2.772 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -13.429 6.671 1.551 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -13.356 7.610 1.721 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -12.524 6.366 1.494 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -16.840 1.588 0.991 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -16.798 1.365 0.061 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -15.991 1.986 1.181 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -12.931 -1.857 3.635 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -13.485 -2.253 2.963 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.830 -0.947 3.358 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.635 6.929 4.100 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.008 6.103 4.410 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.358 6.746 3.203 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.377 3.578 4.147 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.654 2.850 4.703 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.450 3.697 4.353 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -13.945 2.177 0.611 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -14.218 1.752 -0.202 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -13.905 3.108 0.394 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.486 3.046 4.586 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -12.636 3.467 4.714 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.481 2.306 5.194 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -13.092 1.099 6.410 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -13.818 0.620 6.808 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.511 1.305 7.142 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -14.475 -1.760 1.352 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -14.378 -1.093 0.672 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -14.615 -2.576 0.870 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -15.305 -0.380 6.973 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -15.455 -1.325 6.953 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.659 -0.099 7.817 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.227 -4.352 0.469 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -14.617 -4.724 1.106 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -16.064 -4.774 0.665 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -15.595 -2.797 5.435 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -15.315 -3.704 5.560 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -14.836 -2.363 5.046 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.671 -7.499 19.001 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -12.321 -8.153 18.395 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.524 -6.662 18.561 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -14.981 -5.534 5.484 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -14.799 -5.983 6.309 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.581 -6.119 5.020 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -13.151 -5.390 17.350 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.068 -5.119 17.314 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -13.028 -5.925 16.566 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -14.150 -7.300 15.169 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -14.963 -6.975 14.781 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -13.917 -8.060 14.636 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -15.578 -7.744 9.604 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -14.974 -7.196 9.103 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.447 -7.424 9.364 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -13.851 -6.605 7.938 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.239 -7.119 7.411 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -13.468 -5.727 7.961 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.904 -7.234 4.469 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -17.607 -6.620 4.259 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -17.349 -8.072 4.600 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -14.619 -7.695 22.030 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -15.518 -7.556 22.325 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -14.367 -6.864 21.628 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -13.115 -5.467 20.868 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -12.702 -6.188 20.392 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -12.433 -4.797 20.926 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -7.201 -30.449 -2.183 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -7.193 -30.585 -3.131 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -8.117 -30.567 -1.931 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 3.626 -26.942 -1.220 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 3.826 -26.518 -2.055 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 4.282 -26.599 -0.613 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -10.947 -28.259 -1.345 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -10.407 -28.476 -0.586 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -11.428 -29.065 -1.535 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -6.350 -29.340 0.275 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -5.582 -29.799 0.616 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -6.371 -29.566 -0.655 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 0.227 -30.960 -0.996 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -0.124 -31.816 -0.753 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 0.953 -30.817 -0.389 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -11.040 -34.449 -0.391 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -10.896 -35.351 -0.677 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -11.813 -34.163 -0.879 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 4.069 -32.923 0.216 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 3.203 -33.028 0.610 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 4.445 -32.164 0.663 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -9.822 -31.261 -1.229 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -10.643 -31.086 -1.689 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -10.074 -31.334 -0.308 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -2.557 -28.887 -2.011 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -2.372 -29.221 -1.133 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -1.710 -28.578 -2.333 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -0.212 -27.602 -2.767 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 0.465 -28.234 -3.007 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 0.110 -27.200 -1.959 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -9.466 -27.030 -4.923 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -10.186 -26.590 -5.374 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -9.832 -27.281 -4.074 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 3.991 -29.659 -1.614 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 3.209 -29.845 -2.134 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 3.919 -28.730 -1.397 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -0.459 -35.773 7.272 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -0.370 -34.829 7.140 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -1.098 -36.048 6.614 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -1.526 -36.518 10.691 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -1.564 -37.164 11.396 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -1.849 -36.984 9.920 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 2.180 -33.579 8.993 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 1.739 -34.299 9.443 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 2.167 -32.858 9.623 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -11.624 -38.793 6.212 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -12.072 -37.947 6.194 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -12.185 -39.373 5.697 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 0.004 -39.691 11.425 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 0.147 -40.638 11.445 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -0.102 -39.484 10.496 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -10.221 -39.193 9.459 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -9.567 -39.743 9.891 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -10.197 -39.467 8.543 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -5.065 -37.643 8.675 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -4.449 -38.169 9.184 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -5.651 -38.283 8.271 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -8.031 -42.672 12.771 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -8.250 -42.142 12.005 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -8.699 -42.445 13.419 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -5.462 -34.996 13.059 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -6.202 -34.398 13.162 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -4.748 -34.442 12.743 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -8.437 -40.780 10.724 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -7.824 -40.147 11.097 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -7.925 -41.252 10.067 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -7.054 -33.032 13.846 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -7.060 -32.153 13.468 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -7.908 -33.115 14.271 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 3.789 -33.491 14.952 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 3.929 -34.082 14.213 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 3.957 -32.618 14.596 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -1.738 -36.529 4.724 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -2.450 -35.994 4.373 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -1.047 -36.473 4.064 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 1.668 -36.319 5.676 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 0.936 -36.091 6.249 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 2.115 -37.033 6.131 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 1.565 -38.145 14.744 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 1.645 -37.382 15.316 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 0.964 -37.866 14.053 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -6.320 -36.920 11.192 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -5.755 -36.799 10.429 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.001 -36.283 11.831 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 0.539 -37.157 3.361 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 1.118 -37.007 4.108 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 0.953 -36.686 2.638 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -7.697 -36.619 5.148 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -7.989 -35.851 4.657 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -8.371 -37.279 4.985 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 5.427 -31.041 1.551 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 5.500 -30.102 1.721 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 6.332 -31.346 1.494 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -6.645 -39.497 12.097 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.287 -39.538 12.806 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -6.608 -38.571 11.859 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -6.648 -39.276 7.009 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -7.541 -39.617 6.950 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -6.197 -39.653 6.253 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -2.010 -38.685 17.314 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -2.573 -39.389 17.634 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -1.184 -38.805 17.781 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -8.895 -39.177 13.964 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -8.933 -38.777 14.832 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -9.386 -39.994 14.054 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -12.287 -42.061 7.814 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -11.656 -42.090 8.534 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -11.837 -42.486 7.084 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -0.844 -37.776 13.311 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -0.520 -38.407 12.668 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -1.284 -38.311 13.972 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -9.238 -40.220 6.922 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -10.127 -40.120 6.582 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -8.942 -41.062 6.576 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -5.585 -40.220 4.578 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -4.653 -40.091 4.756 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -5.800 -39.550 3.929 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -6.911 -39.025 2.145 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -7.453 -39.405 1.454 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -6.077 -38.831 1.716 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -2.746 -39.061 9.982 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -2.182 -39.608 9.435 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -2.894 -39.583 10.771 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -3.576 -34.460 4.081 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -4.320 -34.967 3.758 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -3.710 -34.411 5.027 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 3.574 -35.327 12.867 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 4.216 -34.870 12.324 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 2.744 -35.214 12.405 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -1.450 -33.001 3.106 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -1.745 -32.175 3.488 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -2.153 -33.621 3.302 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -4.426 -37.187 17.378 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -4.722 -37.353 16.483 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -3.495 -37.407 17.368 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 5.889 -33.769 16.472 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 5.037 -33.531 16.105 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 6.479 -33.786 15.719 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 1.381 -35.975 11.122 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 0.453 -36.207 11.095 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 1.832 -36.752 10.792 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -10.321 -36.785 1.842 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -9.705 -36.158 2.221 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -11.183 -36.469 2.113 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 1.613 -32.807 1.921 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 1.966 -33.187 2.725 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 0.664 -32.900 2.007 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -9.809 -41.951 14.723 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -10.702 -41.612 14.656 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -9.908 -42.806 15.141 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 2.479 -34.134 4.147 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 2.202 -34.862 4.703 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 3.406 -34.015 4.353 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -4.296 -31.695 0.368 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -4.057 -32.443 -0.180 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -4.565 -32.083 1.200 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -5.359 -32.125 2.824 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -5.212 -32.645 3.614 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -5.362 -31.218 3.130 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -8.906 -34.872 3.334 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -9.592 -34.520 3.901 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -8.383 -34.109 3.088 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -2.554 -39.844 14.730 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -2.435 -39.270 15.487 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.899 -40.532 14.845 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 2.252 -38.186 9.661 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 1.455 -38.601 9.332 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 2.697 -38.877 10.152 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -8.290 -32.258 2.231 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -7.698 -31.559 2.507 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -7.831 -32.691 1.512 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -2.258 -29.832 0.506 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -2.902 -30.463 0.828 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -1.496 -30.363 0.274 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 2.346 -30.015 0.740 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 2.629 -30.809 1.193 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 3.086 -29.782 0.179 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -11.040 -34.449 18.465 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -10.896 -35.351 18.179 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -11.813 -34.163 17.977 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -6.699 -34.105 0.597 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -6.635 -34.899 1.128 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -6.046 -34.224 -0.092 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -1.347 -33.058 0.333 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -1.615 -32.878 1.234 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -1.553 -33.984 0.202 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -10.208 -37.249 17.885 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -9.800 -38.106 17.764 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -10.468 -37.234 18.806 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -5.550 -36.133 2.903 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -6.009 -36.617 3.589 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -5.295 -36.801 2.267 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -6.261 -38.240 15.259 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -6.879 -37.565 15.540 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -5.917 -37.919 14.426 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -1.241 -35.769 18.537 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -0.288 -35.685 18.509 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -1.401 -36.480 19.156 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -3.927 -37.076 14.074 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -3.176 -37.232 13.501 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -4.266 -36.224 13.798 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 0.489 -39.261 19.102 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 0.681 -40.192 18.991 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 1.346 -38.836 19.092 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 1.805 -36.472 17.180 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 1.524 -35.763 16.602 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 2.748 -36.545 17.029 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -7.443 -39.687 18.253 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -8.210 -40.219 18.043 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -6.764 -39.997 17.654 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -4.581 -27.199 2.167 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -3.648 -27.041 2.311 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -4.845 -26.524 1.542 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -11.013 -32.563 1.650 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -10.099 -32.484 1.923 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.006 -33.250 0.983 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 5.370 -34.666 4.586 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 6.220 -34.245 4.714 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 5.375 -35.406 5.194 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 5.523 -33.828 11.358 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 6.357 -34.206 11.077 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 5.635 -32.885 11.239 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 4.407 -36.122 16.612 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 4.990 -36.856 16.803 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 4.971 -35.350 16.658 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -11.816 -40.743 17.124 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -10.897 -40.865 17.360 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -12.266 -41.493 17.513 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -10.595 -42.431 10.015 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -10.150 -43.223 10.317 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -10.129 -41.715 10.446 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -12.291 -39.432 11.084 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -11.799 -39.653 10.294 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -11.929 -38.591 11.365 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -0.459 -35.773 26.128 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -0.370 -34.829 25.996 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -1.098 -36.048 25.470 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -1.526 -36.518 29.547 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -1.564 -37.164 30.252 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -1.849 -36.984 28.776 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -9.158 -36.903 31.140 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -9.116 -37.529 31.864 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -8.455 -36.280 31.322 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 2.180 -33.579 27.849 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 1.739 -34.299 28.299 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 2.167 -32.858 28.479 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.914 -36.631 27.194 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -10.700 -37.401 27.721 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.176 -36.542 26.591 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -5.065 -37.643 27.531 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -4.449 -38.169 28.040 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -5.651 -38.283 27.127 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -5.462 -34.996 31.915 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -6.202 -34.398 32.018 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -4.748 -34.442 31.599 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -7.054 -33.032 32.702 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -7.060 -32.153 32.324 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -7.908 -33.115 33.127 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -10.933 -33.361 23.484 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -11.205 -33.132 22.595 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -10.888 -32.523 23.944 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 2.692 -31.739 30.197 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 1.750 -31.681 30.358 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 2.968 -30.833 30.060 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 2.103 -32.057 25.331 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 1.846 -32.747 24.719 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 2.174 -32.500 26.176 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -1.684 -38.071 20.619 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -0.983 -38.049 21.270 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -1.382 -38.699 19.963 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 1.668 -36.319 24.532 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 0.936 -36.091 25.105 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 2.115 -37.033 24.987 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -6.687 -35.689 26.415 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -7.017 -36.059 25.596 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -6.099 -36.359 26.761 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -6.320 -36.920 30.048 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -5.755 -36.799 29.285 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -6.001 -36.283 30.687 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -5.440 -32.521 34.765 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -5.752 -31.739 35.221 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -6.090 -32.674 34.079 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 0.539 -37.157 22.217 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 1.118 -37.007 22.964 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 0.953 -36.686 21.494 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -7.201 -30.449 35.529 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -7.193 -30.585 34.581 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -8.117 -30.567 35.781 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -7.697 -36.619 24.004 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -7.989 -35.851 23.513 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -8.371 -37.279 23.841 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 5.427 -31.041 20.407 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 5.500 -30.102 20.577 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 6.332 -31.346 20.350 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -11.604 -34.256 32.819 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -12.105 -34.284 32.004 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -11.598 -35.162 33.129 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -11.853 -31.476 29.703 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -10.907 -31.620 29.684 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -11.966 -30.692 30.240 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -2.677 -31.236 34.261 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -2.590 -30.410 34.736 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -3.541 -31.566 34.510 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -9.355 -32.933 33.862 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -9.138 -33.294 34.722 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -10.210 -33.307 33.652 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 2.016 -36.124 19.847 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 2.058 -36.347 18.917 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 2.865 -35.726 20.037 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -6.648 -39.276 25.865 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -7.541 -39.617 25.806 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -6.197 -39.653 25.109 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -1.112 -38.860 24.682 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -1.521 -38.045 24.390 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -0.392 -39.000 24.067 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.108 -39.414 27.496 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -0.303 -38.809 26.781 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 0.074 -40.248 27.061 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -5.585 -40.220 23.434 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -4.653 -40.091 23.612 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -5.800 -39.550 22.785 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -6.911 -39.025 21.001 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -7.453 -39.405 20.310 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -6.077 -38.831 20.572 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -2.056 -34.276 34.174 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.402 -34.657 34.980 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -2.256 -33.342 34.245 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 1.040 -39.779 22.797 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 1.932 -39.916 23.116 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 1.097 -38.988 22.260 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -8.451 -35.165 28.706 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.706 -35.167 28.105 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -8.373 -35.989 29.188 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 0.194 -31.814 34.124 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -0.707 -31.631 33.856 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 0.228 -31.555 35.045 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 4.221 -30.783 22.956 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 3.848 -31.609 23.266 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 4.498 -30.966 22.059 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 1.381 -35.975 29.978 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 0.453 -36.207 29.951 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 1.832 -36.752 29.648 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -10.321 -36.785 20.698 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -9.705 -36.158 21.077 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -11.183 -36.469 20.969 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -0.590 -33.736 31.703 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -1.016 -33.963 32.529 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -0.009 -34.474 31.520 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 2.069 -29.184 34.172 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 1.467 -29.739 33.677 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 2.350 -28.517 33.546 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 2.479 -34.134 23.003 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 2.202 -34.862 23.559 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 3.406 -34.015 23.209 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -8.906 -34.872 22.190 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -9.592 -34.520 22.757 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.383 -34.109 21.944 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -3.090 -40.830 24.401 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -2.278 -40.326 24.447 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -3.335 -40.975 25.315 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 3.339 -28.930 30.139 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 3.183 -28.252 29.482 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 4.271 -28.858 30.342 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -10.236 -30.872 25.037 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -11.068 -30.399 25.064 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -9.690 -30.362 24.438 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -6.350 -29.340 37.987 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -5.582 -29.799 38.328 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -6.371 -29.566 37.057 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -4.479 -37.890 20.022 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -4.659 -38.044 19.094 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -3.528 -37.782 20.066 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 4.911 -35.535 19.467 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 4.638 -35.960 18.654 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 4.951 -34.604 19.250 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -3.927 -37.076 32.930 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -3.176 -37.232 32.357 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -4.266 -36.224 32.654 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 6.055 -28.280 30.368 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 6.033 -28.095 31.307 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 6.745 -27.711 30.027 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 5.370 -34.666 23.442 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 6.220 -34.245 23.570 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 5.375 -35.406 24.050 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 4.010 -30.950 32.521 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 3.362 -30.625 33.146 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 3.492 -31.390 31.846 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -11.414 -36.014 29.839 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -11.230 -36.096 28.904 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -10.565 -36.138 30.263 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -9.822 -31.261 36.483 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -10.643 -31.086 36.023 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -10.074 -31.334 37.404 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -2.557 -28.887 35.701 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -2.372 -29.221 36.579 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -1.710 -28.578 35.379 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -0.212 -27.602 34.945 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 0.465 -28.234 34.705 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 0.110 -27.200 35.753 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 2.644 -27.094 32.235 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 2.462 -26.178 32.024 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 2.820 -27.504 31.388 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -4.296 -31.695 38.080 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -4.057 -32.443 37.532 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -4.565 -32.083 38.912 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -5.283 -29.384 41.267 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -5.122 -28.584 40.766 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -5.480 -29.077 42.152 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -8.290 -32.258 39.943 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -7.698 -31.559 40.219 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -7.831 -32.691 39.224 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -2.258 -29.832 38.218 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -2.902 -30.463 38.540 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -1.496 -30.363 37.986 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -4.581 -27.199 39.879 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -3.648 -27.041 40.023 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -4.845 -26.524 39.254 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -10.800 -29.183 41.727 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -11.485 -29.221 41.059 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -10.797 -28.270 42.015 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -1.936 -27.973 40.124 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -1.070 -27.607 39.946 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -2.183 -28.413 39.311 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -1.526 -17.662 -8.165 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -1.564 -18.308 -7.460 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -1.849 -18.128 -8.936 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -8.234 -13.597 -8.037 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -8.604 -14.399 -8.406 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -7.293 -13.766 -7.990 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -10.914 -17.775 -10.518 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -10.700 -18.545 -9.991 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -10.176 -17.686 -11.121 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -0.709 -9.618 -9.651 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -0.089 -10.295 -9.924 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -0.917 -9.836 -8.743 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -3.137 -15.229 -7.759 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -2.833 -15.915 -8.353 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -2.415 -15.111 -7.141 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 5.526 -23.628 -6.898 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 5.575 -23.018 -6.162 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 5.952 -23.167 -7.621 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 0.004 -20.835 -7.431 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 0.147 -21.782 -7.411 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -0.102 -20.628 -8.360 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -10.221 -20.337 -9.397 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -9.567 -20.887 -8.965 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -10.197 -20.611 -10.313 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -5.065 -18.787 -10.181 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -4.449 -19.313 -9.672 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -5.651 -19.427 -10.585 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 5.918 -22.150 -4.662 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 5.229 -21.492 -4.757 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 5.933 -22.347 -3.725 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.031 -23.816 -6.085 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -8.250 -23.286 -6.851 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -8.699 -23.589 -5.437 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -8.437 -21.924 -8.132 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -7.824 -21.291 -7.759 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -7.925 -22.396 -8.789 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 2.692 -12.883 -7.515 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 1.750 -12.825 -7.354 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 2.968 -11.977 -7.652 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 2.992 -24.597 -6.098 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 2.256 -23.986 -6.136 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 3.676 -24.182 -6.624 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 3.789 -14.635 -3.904 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 3.929 -15.226 -4.643 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 3.957 -13.762 -4.260 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 5.631 -18.295 -5.838 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 4.979 -17.600 -5.749 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 6.096 -18.085 -6.648 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -6.687 -16.833 -11.297 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -7.017 -17.203 -12.116 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -6.099 -17.503 -10.951 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -5.320 -13.405 -8.616 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -5.415 -13.983 -9.373 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -4.591 -13.776 -8.120 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -6.320 -18.064 -7.664 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -5.755 -17.943 -8.427 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -6.001 -17.427 -7.025 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -0.011 -12.561 -6.930 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.252 -11.899 -6.282 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -0.209 -13.395 -6.505 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -11.853 -12.620 -8.009 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -10.907 -12.764 -8.028 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -11.966 -11.836 -7.472 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -6.645 -20.641 -6.759 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -7.287 -20.682 -6.050 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -6.608 -19.715 -6.997 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -0.844 -18.920 -5.545 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -0.520 -19.551 -6.188 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -1.284 -19.455 -4.884 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 0.339 -23.758 -7.497 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -0.338 -23.627 -6.833 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -0.147 -23.913 -8.307 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -2.746 -20.205 -8.874 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -2.182 -20.752 -9.421 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -2.894 -20.727 -8.085 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -4.120 -21.817 -6.460 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -4.955 -21.363 -6.350 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -3.596 -21.541 -5.708 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 3.574 -16.471 -5.989 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 4.216 -16.014 -6.532 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 2.744 -16.358 -6.451 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.451 -16.309 -9.006 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -7.706 -16.311 -9.607 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -8.373 -17.133 -8.524 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 5.889 -14.913 -2.384 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 5.037 -14.675 -2.751 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 6.479 -14.930 -3.137 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 1.381 -17.119 -7.734 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 0.453 -17.351 -7.761 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 1.832 -17.896 -8.064 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 2.069 -10.328 -3.540 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 1.467 -10.883 -4.035 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 2.350 -9.661 -4.166 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -10.158 -11.290 -5.698 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -9.941 -12.222 -5.729 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -9.911 -11.016 -4.814 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -1.074 -23.354 -5.243 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -0.376 -23.280 -4.593 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -1.455 -24.218 -5.088 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 3.650 -23.081 -3.291 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.734 -22.818 -3.379 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 3.986 -23.084 -4.188 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 2.252 -19.330 -9.195 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 1.455 -19.745 -9.524 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 2.697 -20.021 -8.704 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.339 -10.074 -7.573 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 3.183 -9.396 -8.230 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 4.271 -10.002 -7.370 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 0.227 -12.104 -0.996 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -0.124 -12.960 -0.753 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 0.953 -11.961 -0.389 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -5.509 -23.659 -5.022 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -4.973 -23.208 -5.674 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -6.361 -23.767 -5.444 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -4.703 -26.203 -4.590 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -4.801 -25.256 -4.696 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -5.446 -26.575 -5.066 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -0.723 -22.754 -1.951 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -1.671 -22.722 -1.819 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -0.411 -23.379 -1.297 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -4.481 -26.909 -1.919 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -3.769 -27.549 -1.933 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -4.582 -26.642 -2.833 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -4.128 -25.226 0.135 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -4.259 -25.702 -0.686 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -4.727 -24.482 0.079 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 5.618 -9.857 -4.422 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 5.131 -10.592 -4.793 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 6.167 -10.250 -3.744 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 4.069 -14.067 0.216 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 3.203 -14.172 0.610 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 4.445 -13.308 0.663 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 5.523 -14.972 -7.498 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 6.357 -15.350 -7.779 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 5.635 -14.029 -7.617 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 4.010 -12.094 -5.191 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 3.362 -11.769 -4.566 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 3.492 -12.534 -5.866 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -11.414 -17.158 -7.873 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -11.230 -17.240 -8.808 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -10.565 -17.282 -7.449 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 3.873 -21.072 -7.985 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 4.806 -20.860 -8.019 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 3.638 -20.970 -7.062 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 3.902 -20.335 -5.209 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 3.059 -20.067 -4.843 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 4.345 -19.513 -5.420 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 6.185 -26.355 0.145 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 6.535 -27.009 -0.461 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 6.332 -25.518 -0.295 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -10.595 -23.575 -8.841 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -10.150 -24.367 -8.539 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -10.129 -22.859 -8.410 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -12.291 -20.576 -7.772 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -11.799 -20.797 -8.562 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -11.929 -19.735 -7.491 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 5.705 -24.246 -1.506 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 4.788 -23.975 -1.542 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.828 -24.781 -2.290 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -12.014 -25.580 -5.373 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -12.679 -25.826 -4.730 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -12.457 -24.958 -5.950 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 4.706 -26.156 -3.687 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 3.893 -25.831 -4.075 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 4.939 -26.916 -4.220 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -9.466 -8.174 -4.923 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -10.186 -7.734 -5.374 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -9.832 -8.425 -4.074 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -6.999 -8.574 -5.893 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -7.864 -8.502 -5.489 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -7.054 -8.027 -6.677 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -2.288 -8.686 -6.717 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.745 -8.157 -7.371 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -2.125 -8.083 -5.992 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 0.039 -9.808 -5.772 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -0.865 -9.643 -6.038 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 0.468 -8.955 -5.838 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 2.644 -8.238 -5.477 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 2.462 -7.322 -5.688 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 2.820 -8.648 -6.324 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -10.051 -9.551 -8.012 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -10.070 -9.976 -7.155 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -9.246 -9.869 -8.421 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -7.910 -10.841 -9.357 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -8.129 -11.757 -9.188 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -7.086 -10.701 -8.891 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.373 -10.371 -8.509 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.160 -11.259 -8.796 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.308 -10.405 -7.554 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -9.580 -25.559 -2.025 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -9.946 -26.324 -1.582 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -8.667 -25.530 -1.738 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.607 -26.208 -0.489 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.708 -26.482 -0.674 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.993 -26.951 -0.025 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 0.815 -26.876 -0.307 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 0.891 -27.302 0.547 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 1.708 -26.862 -0.649 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 3.991 -10.803 -1.614 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 3.209 -10.989 -2.134 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 3.919 -9.874 -1.397 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 5.427 -12.185 1.551 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 5.500 -11.246 1.721 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 6.332 -12.490 1.494 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -8.609 -9.819 6.992 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -8.457 -10.167 7.871 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -9.460 -10.175 6.737 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 4.221 -11.927 4.100 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.848 -12.753 4.410 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 4.498 -12.110 3.203 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -5.965 -10.106 6.376 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -6.915 -10.001 6.428 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -5.614 -9.286 6.721 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 6.117 -9.471 2.122 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 6.860 -8.885 1.982 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 5.422 -8.903 2.455 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -6.350 -10.484 19.131 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -5.582 -10.943 19.472 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -6.371 -10.710 18.201 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 2.346 -11.159 0.740 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 2.629 -11.953 1.193 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 3.086 -10.926 0.179 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 4.911 -16.679 0.611 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 4.638 -17.104 -0.202 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 4.951 -15.748 0.394 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -12.364 -8.314 6.727 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -13.011 -8.776 6.194 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -12.009 -8.986 7.310 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 6.055 -9.424 11.512 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 6.033 -9.239 12.451 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 6.745 -8.855 11.171 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 5.618 -9.857 14.434 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 5.131 -10.592 14.063 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 6.167 -10.250 15.112 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 3.629 -23.208 0.469 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 4.239 -23.580 1.106 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 2.792 -23.630 0.665 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 2.793 -9.334 7.084 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 3.446 -9.681 6.476 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 3.304 -8.845 7.730 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -9.466 -8.174 13.933 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -10.186 -7.734 13.482 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -9.832 -8.425 14.782 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -2.288 -8.686 12.139 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -2.745 -8.157 11.485 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -2.125 -8.083 12.864 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -10.051 -9.551 10.844 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -10.070 -9.976 11.701 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -9.246 -9.869 10.435 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 4.773 -9.554 5.092 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 4.579 -10.302 4.527 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 4.734 -8.796 4.508 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -8.234 -13.597 29.675 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -8.604 -14.399 29.306 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -7.293 -13.766 29.722 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -0.709 -9.618 28.061 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -0.089 -10.295 27.788 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -0.917 -9.836 28.969 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -3.137 -15.229 29.953 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -2.833 -15.915 29.359 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -2.415 -15.111 30.571 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -7.054 -14.176 32.702 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -7.060 -13.297 32.324 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -7.908 -14.259 33.127 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 2.692 -12.883 30.197 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 1.750 -12.825 30.358 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 2.968 -11.977 30.060 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 3.789 -14.635 33.808 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 3.929 -15.226 33.069 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 3.957 -13.762 33.452 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -5.320 -13.405 29.096 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -5.415 -13.983 28.339 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -4.591 -13.776 29.592 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.011 -12.561 30.782 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -0.252 -11.899 31.430 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -0.209 -13.395 31.207 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -5.440 -13.665 34.765 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -5.752 -12.883 35.221 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -6.090 -13.818 34.079 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -11.604 -15.400 32.819 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -12.105 -15.428 32.004 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -11.598 -16.306 33.129 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -11.853 -12.620 29.703 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -10.907 -12.764 29.684 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -11.966 -11.836 30.240 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -2.677 -12.380 34.261 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -2.590 -11.554 34.736 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -3.541 -12.710 34.510 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -8.609 -9.819 25.848 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -8.457 -10.167 26.727 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -9.460 -10.175 25.593 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.496 -20.461 35.865 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 3.089 -19.980 35.145 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.537 -21.366 35.558 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -9.355 -14.077 33.862 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -9.138 -14.438 34.722 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -10.210 -14.451 33.652 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -8.776 -15.612 36.100 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -8.043 -15.358 36.661 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -9.556 -15.408 36.615 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -11.443 -17.848 34.021 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -11.220 -18.266 34.853 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -12.045 -18.461 33.599 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 0.194 -12.958 34.124 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -0.707 -12.775 33.856 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 0.228 -12.699 35.045 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 5.889 -14.913 35.328 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 5.037 -14.675 34.961 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 6.479 -14.930 34.575 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -6.076 -12.791 26.111 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -5.549 -12.018 25.910 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -6.956 -12.566 25.809 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -5.965 -10.106 25.232 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -6.915 -10.001 25.284 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -5.614 -9.286 25.577 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 6.117 -9.471 20.978 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 6.860 -8.885 20.838 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 5.422 -8.903 21.311 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -10.158 -11.290 32.014 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -9.941 -12.222 31.983 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -9.911 -11.016 32.898 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -5.283 -10.528 22.411 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -5.122 -9.728 21.910 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -5.480 -10.221 23.296 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 3.650 -23.081 34.421 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 2.734 -22.818 34.333 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 3.986 -23.084 33.524 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 3.339 -10.074 30.139 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 3.183 -9.396 29.482 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 4.271 -10.002 30.342 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -10.236 -12.016 25.037 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -11.068 -11.543 25.064 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -9.690 -11.506 24.438 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 0.227 -12.104 36.716 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -0.124 -12.960 36.959 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 0.953 -11.961 37.323 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -11.040 -15.593 37.321 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -10.896 -16.495 37.035 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -11.813 -15.307 36.833 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -4.385 -15.623 36.754 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -4.713 -15.352 35.896 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -4.233 -16.564 36.666 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 1.350 -15.707 34.137 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 2.095 -15.119 34.017 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 0.593 -15.125 34.200 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.241 -16.913 37.393 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -0.288 -16.829 37.365 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -1.401 -17.624 38.012 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 0.489 -20.405 37.958 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.681 -21.336 37.847 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.346 -19.980 37.948 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 1.805 -17.616 36.036 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 1.524 -16.907 35.458 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 2.748 -17.689 35.885 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 0.911 -24.120 37.766 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 0.814 -25.072 37.760 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 0.589 -23.851 38.627 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -4.581 -8.343 21.023 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -3.648 -8.185 21.167 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -4.845 -7.668 20.398 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.523 -14.972 30.214 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 6.357 -15.350 29.933 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 5.635 -14.029 30.095 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 4.010 -12.094 32.521 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 3.362 -11.769 33.146 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 3.492 -12.534 31.846 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 4.407 -17.266 35.468 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 4.990 -18.000 35.659 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 4.971 -16.494 35.514 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 5.904 -19.363 36.152 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 5.041 -19.742 35.987 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 6.508 -20.102 36.078 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 5.705 -24.246 36.206 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 4.788 -23.975 36.170 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 5.828 -24.781 35.422 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 2.793 -9.334 25.940 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 3.446 -9.681 25.332 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 3.304 -8.845 26.586 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -6.868 -11.430 32.742 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -7.293 -10.621 32.459 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -5.963 -11.345 32.440 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 4.706 -26.156 34.025 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 3.893 -25.831 33.637 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 4.939 -26.916 33.492 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 0.039 -9.808 31.940 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -0.865 -9.643 31.674 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 0.468 -8.955 31.874 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -7.910 -10.841 28.355 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -8.129 -11.757 28.524 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -7.086 -10.701 28.821 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -10.800 -10.327 22.871 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -11.485 -10.365 22.203 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -10.797 -9.414 23.159 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 4.773 -9.554 23.948 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 4.579 -10.302 23.383 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 4.734 -8.796 23.364 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 0.815 -26.876 37.405 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 0.891 -27.302 38.259 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 1.708 -26.862 37.063 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -11.624 -19.937 43.924 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -12.072 -19.091 43.906 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -12.185 -20.517 43.409 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -6.841 -22.734 46.409 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -6.798 -21.874 45.991 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -7.299 -23.286 45.776 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -1.684 -19.215 39.475 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -0.983 -19.193 40.126 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -1.382 -19.843 38.819 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 0.539 -18.301 41.073 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 1.118 -18.151 41.820 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 0.953 -17.830 40.350 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -7.697 -17.763 42.860 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -7.989 -16.995 42.369 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -8.371 -18.423 42.697 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 2.016 -17.268 38.703 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 2.058 -17.491 37.773 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 2.865 -16.870 38.893 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -2.411 -23.392 39.373 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -2.665 -23.373 40.296 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -2.668 -24.264 39.072 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -6.648 -20.420 44.721 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -7.541 -20.761 44.662 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -6.197 -20.797 43.965 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -12.287 -23.205 45.526 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -11.656 -23.234 46.246 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -11.837 -23.630 44.796 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -9.238 -21.364 44.634 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -10.127 -21.264 44.294 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -8.942 -22.206 44.288 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -5.585 -21.364 42.290 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -4.653 -21.235 42.468 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -5.800 -20.694 41.641 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -7.744 -24.069 44.112 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -8.061 -24.971 44.077 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -6.963 -24.067 43.560 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 0.322 -22.790 39.992 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -0.616 -22.678 39.841 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 0.619 -21.933 40.298 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -10.321 -17.929 39.554 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -9.705 -17.302 39.933 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -11.183 -17.613 39.825 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -8.906 -16.016 41.046 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -9.592 -15.664 41.613 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -8.383 -15.253 40.800 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -3.090 -21.974 43.257 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -2.278 -21.470 43.303 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -3.335 -22.119 44.171 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -6.699 -15.249 38.309 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -6.635 -16.043 38.840 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -6.046 -15.368 37.620 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -1.347 -14.202 38.045 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -1.615 -14.022 38.946 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -1.553 -15.128 37.914 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -5.550 -17.277 40.615 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -6.009 -17.761 41.301 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -5.295 -17.945 39.979 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.479 -19.034 38.878 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.659 -19.188 37.950 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -3.528 -18.926 38.922 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 3.629 -23.208 38.181 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 4.239 -23.580 38.818 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 2.792 -23.630 38.377 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -11.978 -24.318 42.851 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -12.903 -24.109 42.721 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -11.524 -23.834 42.161 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -9.538 -26.073 45.026 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -10.315 -26.307 44.518 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -9.007 -26.870 45.034 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -10.701 -26.275 40.829 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -10.262 -25.664 40.238 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -11.335 -25.737 41.303 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -4.958 -26.146 44.839 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -4.084 -25.758 44.809 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -5.094 -26.361 45.762 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -3.814 -24.066 41.729 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -3.636 -24.712 42.412 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -3.868 -23.232 42.196 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -0.459 1.939 -11.584 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -0.370 2.883 -11.716 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -1.098 1.664 -12.242 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -1.526 1.194 -8.165 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -1.564 0.548 -7.460 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -1.849 0.728 -8.936 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -9.158 0.809 -6.572 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -9.116 0.183 -5.848 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -8.455 1.432 -6.390 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -8.234 5.259 -8.037 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -8.604 4.457 -8.406 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -7.293 5.090 -7.990 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -10.914 1.081 -10.518 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -10.700 0.311 -9.991 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -10.176 1.170 -11.121 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -3.137 3.627 -7.759 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -2.833 2.941 -8.353 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -2.415 3.745 -7.141 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 5.526 -4.772 -6.898 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 5.575 -4.162 -6.162 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 5.952 -4.311 -7.621 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -6.841 -3.878 -10.159 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -6.798 -3.018 -10.577 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -7.299 -4.430 -10.792 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 0.881 -3.747 -11.758 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 1.527 -4.076 -11.133 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 1.391 -3.229 -12.381 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -10.221 -1.481 -9.397 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -9.567 -2.031 -8.965 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.197 -1.755 -10.313 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 5.918 -3.294 -4.662 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 5.229 -2.636 -4.757 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 5.933 -3.491 -3.725 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -5.462 2.716 -5.797 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -6.202 3.314 -5.694 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -4.748 3.270 -6.113 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 2.645 -4.456 -9.777 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 2.430 -5.222 -9.245 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 3.301 -3.984 -9.264 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -8.437 -3.068 -8.132 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -7.824 -2.435 -7.759 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -7.925 -3.540 -8.789 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -7.054 4.680 -5.010 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -7.060 5.559 -5.388 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -7.908 4.597 -4.585 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.992 -5.741 -6.098 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.256 -5.130 -6.136 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.676 -5.326 -6.624 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -4.005 -7.654 -8.632 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -4.122 -8.603 -8.686 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -4.860 -7.322 -8.359 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 3.789 4.221 -3.904 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 3.929 3.630 -4.643 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 3.957 5.094 -4.260 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 1.565 -0.433 -4.112 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 1.645 0.330 -3.540 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 0.964 -0.154 -4.803 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -6.687 2.023 -11.297 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -7.017 1.653 -12.116 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -6.099 1.353 -10.951 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -5.320 5.451 -8.616 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -5.415 4.873 -9.373 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -4.591 5.080 -8.120 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -5.440 5.191 -2.947 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -5.752 5.973 -2.491 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -6.090 5.038 -3.633 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.201 7.263 -2.183 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.193 7.127 -3.131 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -8.117 7.145 -1.931 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -11.604 3.456 -4.893 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -12.105 3.428 -5.708 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -11.598 2.550 -4.583 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.355 4.779 -3.850 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.138 4.418 -2.990 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -10.210 4.405 -4.060 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -6.736 -6.751 -7.854 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -7.597 -6.838 -8.262 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -6.758 -5.895 -7.427 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -6.648 -1.564 -11.847 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -7.541 -1.905 -11.906 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -6.197 -1.941 -12.603 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -1.112 -1.148 -13.030 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -1.521 -0.333 -13.322 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -0.392 -1.288 -13.645 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -0.108 -1.702 -10.216 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -0.303 -1.097 -10.931 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 0.074 -2.536 -10.651 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -9.238 -2.508 -11.934 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -10.127 -2.408 -12.274 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -8.942 -3.350 -12.280 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -5.585 -2.508 -14.278 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -4.653 -2.379 -14.100 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -5.800 -1.838 -14.927 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 0.339 -4.902 -7.497 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -0.338 -4.771 -6.833 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -0.147 -5.057 -8.307 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -7.744 -5.213 -12.456 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -8.061 -6.115 -12.491 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -6.963 -5.211 -13.008 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -2.056 3.436 -3.538 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -2.402 3.055 -2.732 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -2.256 4.370 -3.467 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.451 2.547 -9.006 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.706 2.545 -9.607 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -8.373 1.723 -8.524 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 5.889 3.943 -2.384 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 5.037 4.181 -2.751 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 6.479 3.926 -3.137 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 1.381 1.737 -7.734 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 0.453 1.505 -7.761 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 1.832 0.960 -8.064 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -4.649 3.728 -12.025 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -4.890 4.653 -11.983 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -5.389 3.269 -11.629 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -0.590 3.976 -6.009 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -1.016 3.749 -5.183 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -0.009 3.238 -6.192 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -3.090 -3.118 -13.311 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -2.278 -2.614 -13.265 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -3.335 -3.263 -12.397 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -2.206 -6.037 -12.373 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -2.553 -5.419 -11.728 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -1.548 -5.536 -12.854 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 3.650 -4.225 -3.291 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 2.734 -3.962 -3.379 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 3.986 -4.228 -4.188 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 2.252 -0.474 -9.195 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 1.455 -0.889 -9.524 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 2.697 -1.165 -8.704 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -9.166 -7.100 -8.836 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -9.395 -7.041 -9.763 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -9.609 -7.892 -8.529 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -6.350 8.372 0.275 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -5.582 7.913 0.616 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -6.371 8.146 -0.655 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 0.227 6.752 -0.996 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -0.124 5.896 -0.753 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 0.953 6.895 -0.389 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -4.385 3.233 -0.958 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.713 3.504 -1.816 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -4.233 2.292 -1.046 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 1.350 3.149 -3.575 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.095 3.737 -3.695 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 0.593 3.731 -3.512 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 4.069 4.789 0.216 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 3.203 4.684 0.610 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 4.445 5.548 0.663 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -11.414 1.698 -7.873 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -11.230 1.616 -8.808 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -10.565 1.574 -7.449 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 4.407 1.590 -2.244 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 4.990 0.856 -2.053 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 4.971 2.362 -2.198 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 5.904 -0.507 -1.560 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 5.041 -0.886 -1.725 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 6.508 -1.246 -1.634 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 3.873 -2.216 -7.985 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 4.806 -2.004 -8.019 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 3.638 -2.114 -7.062 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 3.902 -1.479 -5.209 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 3.059 -1.211 -4.843 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 4.345 -0.657 -5.420 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 6.185 -7.499 0.145 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 6.535 -8.153 -0.461 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 6.332 -6.662 -0.295 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -10.595 -4.719 -8.841 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -10.150 -5.511 -8.539 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -10.129 -4.003 -8.410 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -12.291 -1.720 -7.772 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -11.799 -1.941 -8.562 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -11.929 -0.879 -7.491 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 5.705 -5.390 -1.506 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 4.788 -5.119 -1.542 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 5.828 -5.925 -2.290 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -12.014 -6.724 -5.373 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -12.679 -6.970 -4.730 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -12.457 -6.102 -5.950 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.822 6.451 -1.229 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -10.643 6.626 -1.689 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -10.074 6.378 -0.308 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 4.706 -7.300 -3.687 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.893 -6.975 -4.075 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 4.939 -8.060 -4.220 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -1.864 -5.851 -9.364 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -2.539 -6.480 -9.109 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -1.300 -6.335 -9.967 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -4.958 -7.290 -11.729 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -4.084 -6.902 -11.759 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -5.094 -7.505 -10.806 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 0.599 -7.260 -10.080 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 0.675 -7.165 -11.029 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 0.323 -8.168 -9.951 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -0.459 1.939 7.272 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -0.370 2.883 7.140 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.098 1.664 6.614 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -8.234 5.259 10.819 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -8.604 4.457 10.450 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -7.293 5.090 10.866 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -11.624 -1.081 6.212 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -12.072 -0.235 6.194 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -12.185 -1.661 5.697 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -10.914 1.081 8.338 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -10.700 0.311 8.865 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -10.176 1.170 7.735 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 5.526 -4.772 11.958 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 5.575 -4.162 12.694 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 5.952 -4.311 11.235 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -6.841 -3.878 8.697 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -6.798 -3.018 8.279 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -7.299 -4.430 8.064 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 0.881 -3.747 7.098 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 1.527 -4.076 7.723 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 1.391 -3.229 6.475 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -10.221 -1.481 9.459 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -9.567 -2.031 9.891 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -10.197 -1.755 8.543 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -5.065 0.069 8.675 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -4.449 -0.457 9.184 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -5.651 -0.571 8.271 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 5.918 -3.294 14.194 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 5.229 -2.636 14.099 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 5.933 -3.491 15.131 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -8.031 -4.960 12.771 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -8.250 -4.430 12.005 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -8.699 -4.733 13.419 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -0.662 4.540 6.315 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -0.958 4.218 5.464 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -0.986 5.440 6.357 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 2.645 -4.456 9.079 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 2.430 -5.222 9.611 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 3.301 -3.984 9.592 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 2.992 -5.741 12.758 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 2.256 -5.130 12.720 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 3.676 -5.326 12.232 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -4.005 -7.654 10.224 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -4.122 -8.603 10.170 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -4.860 -7.322 10.497 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -1.738 1.183 4.724 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -2.450 1.718 4.373 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.047 1.239 4.064 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 1.668 1.393 5.676 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 0.936 1.621 6.249 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 2.115 0.679 6.131 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 1.565 -0.433 14.744 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 1.645 0.330 15.316 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 0.964 -0.154 14.053 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -5.320 5.451 10.240 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -5.415 4.873 9.483 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -4.591 5.080 10.736 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -6.320 0.792 11.192 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -5.755 0.913 10.429 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -6.001 1.429 11.831 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -1.735 7.292 6.796 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -1.261 7.587 7.574 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -2.298 8.030 6.563 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 4.237 -7.695 3.174 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.338 -7.556 3.469 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 4.489 -6.864 2.772 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -8.609 9.037 6.992 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -8.457 8.689 7.871 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -9.460 8.681 6.737 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 3.496 -1.605 17.009 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 3.089 -1.124 16.289 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 3.537 -2.510 16.702 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -6.736 -6.751 11.002 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -7.597 -6.838 10.594 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -6.758 -5.895 11.429 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -2.073 -7.029 14.376 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -1.653 -7.444 15.129 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -3.006 -7.207 14.493 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 1.253 -3.273 15.230 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 0.739 -3.399 16.027 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 1.098 -2.361 14.985 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -6.648 -1.564 7.009 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.541 -1.905 6.950 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -6.197 -1.941 6.253 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -1.112 -1.148 5.826 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -1.521 -0.333 5.534 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -0.392 -1.288 5.211 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -2.010 -0.973 17.314 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -2.573 -1.677 17.634 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -1.184 -1.093 17.781 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -0.108 -1.702 8.640 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -0.303 -1.097 7.925 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 0.074 -2.536 8.205 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -12.287 -4.349 7.814 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -11.656 -4.378 8.534 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -11.837 -4.774 7.084 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -4.066 -4.137 8.095 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -4.977 -4.080 8.384 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -3.561 -4.197 8.906 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -9.238 -2.508 6.922 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -10.127 -2.408 6.582 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -8.942 -3.350 6.576 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -5.585 -2.508 4.578 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -4.653 -2.379 4.756 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -5.800 -1.838 3.929 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 0.339 -4.902 11.359 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -0.338 -4.771 12.023 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -0.147 -5.057 10.549 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -2.746 -1.349 9.982 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -2.182 -1.896 9.435 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -2.894 -1.871 10.771 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -7.744 -5.213 6.400 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -8.061 -6.115 6.365 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -6.963 -5.211 5.848 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -8.451 2.547 9.850 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -7.706 2.545 9.249 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -8.373 1.723 10.332 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -1.450 4.711 3.106 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -1.745 5.537 3.488 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -2.153 4.091 3.302 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 5.925 -1.857 3.635 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 5.371 -2.253 2.963 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 6.026 -0.947 3.358 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -6.076 6.065 7.255 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -5.549 6.838 7.054 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -6.956 6.290 6.953 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -5.965 8.750 6.376 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -6.915 8.855 6.428 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -5.614 9.570 6.721 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 1.613 4.905 1.921 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 1.966 4.525 2.725 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 0.664 4.812 2.007 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -9.809 -4.239 14.723 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -10.702 -3.900 14.656 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -9.908 -5.094 15.141 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 2.479 3.578 4.147 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 2.202 2.850 4.703 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 3.406 3.697 4.353 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -4.296 6.017 0.368 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -4.057 5.269 -0.180 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -4.565 5.629 1.200 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -1.074 -4.498 13.613 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -0.376 -4.424 14.263 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -1.455 -5.362 13.768 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -2.621 7.285 3.573 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -3.438 7.782 3.626 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -2.092 7.760 2.933 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -2.554 -2.132 14.730 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -2.435 -1.558 15.487 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -1.899 -2.820 14.845 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.283 8.328 3.555 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -5.122 9.128 3.054 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.480 8.635 4.440 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -9.166 -7.100 10.020 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -9.395 -7.041 9.093 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -9.609 -7.892 10.327 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -10.236 6.840 6.181 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -11.068 7.313 6.208 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -9.690 7.350 5.582 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -2.258 7.880 0.506 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -2.902 7.249 0.828 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -1.496 7.349 0.274 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -1.347 4.654 0.333 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -1.615 4.834 1.234 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -1.553 3.728 0.202 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 4.911 2.177 0.611 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 4.638 1.752 -0.202 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 4.951 3.108 0.394 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -5.509 -4.803 13.834 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -4.973 -4.352 13.182 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -6.361 -4.911 13.412 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 0.489 -1.549 19.102 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 0.681 -2.480 18.991 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 1.346 -1.124 19.092 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -3.439 -3.025 17.829 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -3.675 -3.245 18.731 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -4.222 -3.232 17.320 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -0.723 -3.898 16.905 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -1.671 -3.866 17.037 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -0.411 -4.523 17.559 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -9.262 -4.054 17.958 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.051 -4.761 17.347 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -9.374 -4.492 18.802 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -4.128 -6.370 18.991 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -4.259 -6.846 18.170 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -4.727 -5.626 18.935 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -11.013 5.149 1.650 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -10.099 5.228 1.923 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -11.006 4.462 0.983 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -11.494 8.623 8.532 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -11.828 7.742 8.704 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -11.272 8.968 9.396 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 5.370 3.046 4.586 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 6.220 3.467 4.714 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 5.375 2.306 5.194 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 5.764 1.099 6.410 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 5.038 0.620 6.808 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 6.345 1.305 7.142 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 6.032 1.000 2.801 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 5.511 1.357 2.082 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 5.999 1.675 3.479 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 3.551 -0.380 6.973 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 3.401 -1.325 6.953 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 3.197 -0.099 7.817 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -11.414 1.698 10.983 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -11.230 1.616 10.048 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -10.565 1.574 11.407 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 5.904 -0.507 17.296 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 5.041 -0.886 17.131 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 6.508 -1.246 17.222 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 3.261 -2.797 5.435 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 3.541 -3.704 5.560 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 4.020 -2.363 5.046 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 3.902 -1.479 13.647 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 3.059 -1.211 14.013 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 4.345 -0.657 13.436 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 3.875 -5.534 5.484 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 4.057 -5.983 6.309 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 3.275 -6.119 5.020 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 5.741 -5.467 2.012 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 6.154 -6.188 1.536 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 6.423 -4.797 2.070 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -11.978 -5.462 5.139 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -12.903 -5.253 5.009 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -11.524 -4.978 4.449 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -12.014 -6.724 13.483 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -12.679 -6.970 14.126 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -12.457 -6.102 12.906 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -7.910 8.015 9.499 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -8.129 7.099 9.668 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -7.086 8.155 9.965 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -1.864 -5.851 9.492 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -2.539 -6.480 9.747 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -1.300 -6.335 8.889 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 3.278 -7.744 9.604 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 3.882 -7.196 9.103 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 2.409 -7.424 9.364 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 5.005 -6.605 7.938 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 5.617 -7.119 7.411 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 5.388 -5.727 7.961 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -9.538 -7.217 7.314 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -10.315 -7.451 6.806 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -9.007 -8.014 7.322 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 0.599 -7.260 8.776 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 0.675 -7.165 7.827 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 0.323 -8.168 8.905 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -10.800 8.529 4.015 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -11.485 8.491 3.347 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -10.797 9.442 4.303 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -9.580 -6.703 16.831 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -9.946 -7.468 17.274 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.667 -6.674 17.118 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -7.607 -7.352 18.367 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -6.708 -7.626 18.182 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -7.993 -8.095 18.831 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -8.982 9.449 1.040 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -9.250 9.736 1.913 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -8.211 8.903 1.192 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 0.881 -3.747 25.954 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 1.527 -4.076 26.579 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 1.391 -3.229 25.331 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 2.645 -4.456 27.935 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 2.430 -5.222 28.467 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 3.301 -3.984 28.448 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -4.005 -7.654 29.080 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -4.122 -8.603 29.026 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.860 -7.322 29.353 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -1.738 1.183 23.580 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -2.450 1.718 23.229 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -1.047 1.239 22.920 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -1.684 -0.359 20.619 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -0.983 -0.337 21.270 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -1.382 -0.987 19.963 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 0.539 0.555 22.217 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 1.118 0.705 22.964 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 0.953 1.026 21.494 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -1.112 -1.148 24.682 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -1.521 -0.333 24.390 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -0.392 -1.288 24.067 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -0.108 -1.702 27.496 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -0.303 -1.097 26.781 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 0.074 -2.536 27.061 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -5.529 -4.091 19.618 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -5.960 -4.536 20.348 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -6.247 -3.719 19.106 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -4.066 -4.137 26.951 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -4.977 -4.080 27.240 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -3.561 -4.197 27.762 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -5.585 -2.508 23.434 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.653 -2.379 23.612 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.800 -1.838 22.785 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -7.744 -5.213 25.256 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -8.061 -6.115 25.221 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -6.963 -5.211 24.704 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 1.040 -2.067 22.797 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 1.932 -2.204 23.116 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 1.097 -1.276 22.260 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 5.925 -1.857 22.491 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 5.371 -2.253 21.819 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 6.026 -0.947 22.214 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -3.090 -3.118 24.401 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -2.278 -2.614 24.447 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -3.335 -3.263 25.315 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -6.549 -4.974 22.027 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.632 -4.085 22.373 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.659 -5.239 22.258 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -4.479 -0.178 20.022 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -4.659 -0.332 19.094 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -3.528 -0.070 20.066 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 4.381 -1.760 20.208 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 4.478 -1.093 19.528 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 4.241 -2.576 19.726 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 3.551 -0.380 25.829 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 3.401 -1.325 25.809 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 3.197 -0.099 26.673 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 3.261 -2.797 24.291 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.541 -3.704 24.416 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 4.020 -2.363 23.902 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 3.875 -5.534 24.340 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 4.057 -5.983 25.165 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 3.275 -6.119 23.876 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -1.864 -5.851 28.348 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -2.539 -6.480 28.603 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.300 -6.335 27.745 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 3.278 -7.744 28.460 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 3.882 -7.196 27.959 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 2.409 -7.424 28.220 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 5.005 -6.605 26.794 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 5.617 -7.119 26.267 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 5.388 -5.727 26.817 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -10.701 -7.419 21.973 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -10.262 -6.808 21.382 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -11.335 -6.881 22.447 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -4.958 -7.290 25.983 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -4.084 -6.902 25.953 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.094 -7.505 26.906 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 0.599 -7.260 27.632 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 0.675 -7.165 26.683 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 0.323 -8.168 27.761 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -8.840 -5.503 20.416 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -8.349 -6.133 19.888 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -8.217 -5.207 21.079 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 7.909 -28.259 -1.345 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 8.449 -28.476 -0.586 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 7.428 -29.065 -1.535 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 12.506 -29.340 0.275 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 13.274 -29.799 0.616 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 12.485 -29.566 -0.655 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 10.622 -32.453 10.819 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 10.252 -33.255 10.450 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 11.563 -32.622 10.866 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 11.802 -33.032 13.846 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 11.796 -32.153 13.468 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 10.948 -33.115 14.271 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 7.923 -33.361 4.628 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 7.651 -33.132 3.739 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 7.968 -32.523 5.088 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 11.655 -30.449 16.673 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 11.663 -30.585 15.725 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 10.739 -30.567 16.925 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 7.252 -34.256 13.963 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 6.751 -34.284 13.148 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 7.258 -35.162 14.273 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 7.003 -31.476 10.847 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 7.949 -31.620 10.828 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 6.890 -30.692 11.384 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 9.501 -32.933 15.006 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 9.718 -33.294 15.866 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 8.646 -33.307 14.796 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 12.780 -31.647 7.255 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 13.307 -30.874 7.054 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 11.900 -31.422 6.953 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 12.891 -28.962 6.376 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 11.941 -28.857 6.428 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 13.242 -28.142 6.721 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 13.573 -29.384 3.555 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 13.734 -28.584 3.054 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 13.376 -29.077 4.440 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 10.566 -32.258 2.231 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 11.158 -31.559 2.507 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 11.025 -32.691 1.512 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 12.506 -29.340 19.131 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 13.274 -29.799 19.472 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 12.485 -29.566 18.201 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 7.816 -34.449 18.465 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 7.960 -35.351 18.179 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 7.043 -34.163 17.977 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 14.275 -27.199 2.167 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 15.208 -27.041 2.311 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 14.011 -26.524 1.542 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 7.843 -32.563 1.650 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 8.757 -32.484 1.923 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 7.850 -33.250 0.983 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 9.034 -31.261 17.627 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 8.213 -31.086 17.167 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 8.782 -31.334 18.548 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 11.988 -30.286 13.886 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 11.563 -29.477 13.603 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 12.893 -30.201 13.584 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 11.857 -27.430 12.963 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 10.992 -27.358 13.367 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 11.802 -26.883 12.179 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 8.805 -28.407 10.844 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 8.786 -28.832 11.701 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 9.610 -28.725 10.435 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 10.946 -29.697 9.499 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 10.727 -30.613 9.668 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 11.770 -29.557 9.965 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 13.483 -29.227 10.347 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 13.696 -30.115 10.060 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 13.548 -29.261 11.302 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 9.874 -28.263 1.040 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 9.606 -27.976 1.913 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 10.645 -28.809 1.192 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 10.622 -32.453 29.675 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 10.252 -33.255 29.306 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 11.563 -32.622 29.722 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 18.147 -28.474 28.061 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 18.767 -29.151 27.788 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 17.939 -28.692 28.969 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 7.923 -33.361 23.484 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 7.651 -33.132 22.595 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 7.968 -32.523 23.944 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 19.800 -29.958 26.822 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 20.225 -30.665 26.337 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 20.117 -29.157 26.405 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 13.536 -32.261 29.096 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 13.441 -32.839 28.339 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 14.265 -32.632 29.592 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 17.121 -30.420 25.652 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 17.595 -30.125 26.430 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 16.558 -29.682 25.419 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 7.003 -31.476 29.703 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 7.949 -31.620 29.684 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 6.890 -30.692 30.240 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 16.593 -27.464 24.067 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 16.518 -27.585 23.121 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 16.626 -26.514 24.186 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 19.364 -28.384 23.819 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 18.429 -28.284 23.998 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 19.644 -29.093 24.397 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 12.780 -31.647 26.111 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 13.307 -30.874 25.910 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 11.900 -31.422 25.809 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 14.722 -29.835 32.002 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 15.085 -28.980 31.769 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 15.254 -30.127 32.743 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 12.891 -28.962 25.232 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 11.941 -28.857 25.284 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 13.242 -28.142 25.577 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 8.698 -30.146 32.014 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 8.915 -31.078 31.983 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 8.945 -29.872 32.898 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 13.497 -32.125 21.680 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 13.644 -32.645 22.470 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 13.494 -31.218 21.986 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 16.235 -30.427 22.429 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 15.418 -29.930 22.482 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 16.764 -29.952 21.789 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 13.573 -29.384 22.411 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 13.734 -28.584 21.910 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 13.376 -29.077 23.296 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 10.566 -32.258 21.087 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 11.158 -31.559 21.363 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 11.025 -32.691 20.368 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 8.620 -30.872 25.037 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 7.788 -30.399 25.064 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 9.166 -30.362 24.438 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 14.275 -27.199 21.023 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 15.208 -27.041 21.167 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 14.011 -26.524 20.398 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 7.843 -32.563 20.506 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 8.757 -32.484 20.779 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 7.850 -33.250 19.839 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 7.362 -29.089 27.388 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 7.028 -29.970 27.560 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 7.584 -28.744 28.252 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 11.988 -30.286 32.742 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 11.563 -29.477 32.459 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 12.893 -30.201 32.440 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 9.390 -27.030 32.789 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 8.670 -26.590 32.338 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 9.024 -27.281 33.638 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 16.568 -27.542 30.995 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 16.111 -27.013 30.341 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 16.731 -26.939 31.720 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 18.895 -28.664 31.940 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 17.991 -28.499 31.674 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 19.324 -27.811 31.874 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 8.805 -28.407 29.700 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 8.786 -28.832 30.557 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 9.610 -28.725 29.291 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 10.946 -29.697 28.355 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 10.727 -30.613 28.524 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 11.770 -29.557 28.821 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 13.483 -29.227 29.203 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 13.696 -30.115 28.916 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 13.548 -29.261 30.158 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 16.920 -27.973 21.268 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 17.786 -27.607 21.090 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 16.673 -28.413 20.455 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 10.336 -17.467 -3.718 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 10.406 -16.816 -3.020 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 9.445 -17.364 -4.053 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 7.252 -15.400 -4.893 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 6.751 -15.428 -5.708 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 7.258 -16.306 -4.583 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 10.080 -15.612 -1.612 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 10.813 -15.358 -1.051 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 9.300 -15.408 -1.097 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 7.413 -17.848 -3.691 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 7.636 -18.266 -2.859 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 6.811 -18.461 -4.113 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 9.047 -23.095 -4.133 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 8.154 -22.756 -4.200 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 8.948 -23.950 -3.715 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 7.816 -15.593 -0.391 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 7.960 -16.495 -0.677 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 7.043 -15.307 -0.879 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 8.648 -18.393 -0.971 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 9.056 -19.250 -1.092 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 8.388 -18.378 -0.050 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 11.413 -20.831 -0.603 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 10.646 -21.363 -0.813 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 12.092 -21.141 -1.202 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 9.594 -22.910 -0.898 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 9.805 -23.617 -1.509 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 9.482 -23.348 -0.054 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 7.040 -21.887 -1.732 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 7.959 -22.009 -1.496 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 6.590 -22.637 -1.343 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.565 -20.576 -7.772 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 7.057 -20.797 -8.562 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 6.927 -19.735 -7.491 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 9.276 -25.559 -2.025 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 8.910 -26.324 -1.582 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 10.189 -25.530 -1.738 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 11.249 -26.208 -0.489 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 12.148 -26.482 -0.674 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 10.863 -26.951 -0.025 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 9.698 -18.047 12.284 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 9.740 -18.673 13.008 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 10.401 -17.424 12.466 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 10.622 -13.597 10.819 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 10.252 -14.399 10.450 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 11.563 -13.766 10.866 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 12.015 -22.734 8.697 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 12.058 -21.874 8.279 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 11.557 -23.286 8.064 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 10.825 -23.816 12.771 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 10.606 -23.286 12.005 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 10.157 -23.589 13.419 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 10.419 -21.924 10.724 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 11.032 -21.291 11.097 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 10.931 -22.396 10.067 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 7.923 -14.505 4.628 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 7.651 -14.276 3.739 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 7.968 -13.667 5.088 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 12.169 -16.833 7.559 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 11.839 -17.203 6.740 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 12.757 -17.503 7.905 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 12.536 -18.064 11.192 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 13.101 -17.943 10.429 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 12.855 -17.427 11.831 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 10.336 -17.467 15.138 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 10.406 -16.816 15.836 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 9.445 -17.364 14.803 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 11.159 -17.763 5.148 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 10.867 -16.995 4.657 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 10.485 -18.423 4.985 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 7.252 -15.400 13.963 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 6.751 -15.428 13.148 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 7.258 -16.306 14.273 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 10.247 -9.819 6.992 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 10.399 -10.167 7.871 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 9.396 -10.175 6.737 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 9.501 -14.077 15.006 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 9.718 -14.438 15.866 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.646 -14.451 14.796 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 12.120 -25.607 11.002 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 11.259 -25.694 10.594 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 12.098 -24.751 11.429 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 12.211 -20.641 12.097 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 11.569 -20.682 12.806 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 12.248 -19.715 11.859 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 12.208 -20.420 7.009 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 11.315 -20.761 6.950 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 12.659 -20.797 6.253 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 9.961 -20.321 13.964 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 9.923 -19.921 14.832 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 9.470 -21.138 14.054 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 13.327 -22.947 0.762 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 12.896 -23.392 1.492 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 12.609 -22.575 0.250 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 13.271 -21.364 4.578 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 14.203 -21.235 4.756 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 13.056 -20.694 3.929 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 11.945 -20.169 2.145 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 11.403 -20.549 1.454 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 12.779 -19.975 1.716 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 10.080 -15.612 17.244 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 10.813 -15.358 17.805 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 9.300 -15.408 17.759 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 11.112 -24.069 6.400 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 10.795 -24.971 6.365 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 11.893 -24.067 5.848 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.405 -16.309 9.850 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.150 -16.311 9.249 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.483 -17.133 10.332 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 7.413 -17.848 15.165 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 7.636 -18.266 15.997 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 6.811 -18.461 14.743 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 9.047 -23.095 14.723 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 8.154 -22.756 14.656 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 8.948 -23.950 15.141 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 8.698 -11.290 13.158 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 8.915 -12.222 13.127 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.945 -11.016 14.042 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 9.950 -16.016 3.334 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 9.264 -15.664 3.901 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.473 -15.253 3.088 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 12.307 -23.830 3.171 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 12.224 -22.941 3.517 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 13.197 -24.095 3.402 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 10.566 -13.402 2.231 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 11.158 -12.703 2.507 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 11.025 -13.835 1.512 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 9.690 -25.956 10.020 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 9.461 -25.897 9.093 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 9.247 -26.748 10.327 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 8.620 -12.016 6.181 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 7.788 -11.543 6.208 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 9.166 -11.506 5.582 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 7.909 -9.403 17.511 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 8.449 -9.620 18.270 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 7.428 -10.209 17.321 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 7.816 -15.593 18.465 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 7.960 -16.495 18.179 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 7.043 -15.307 17.977 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 12.157 -15.249 0.597 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 12.221 -16.043 1.128 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 12.810 -15.368 -0.092 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 8.648 -18.393 17.885 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 9.056 -19.250 17.764 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 8.388 -18.378 18.806 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 13.306 -17.277 2.903 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 12.847 -17.761 3.589 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 13.561 -17.945 2.267 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 12.595 -19.384 15.259 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 11.977 -18.709 15.540 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 12.939 -19.063 14.426 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 14.377 -19.034 1.166 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 14.197 -19.188 0.238 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 15.328 -18.926 1.210 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 12.935 -22.029 16.342 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 13.085 -22.758 15.739 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 12.937 -21.252 15.783 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 11.413 -20.831 18.253 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 10.646 -21.363 18.043 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 12.092 -21.141 17.654 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 9.594 -22.910 17.958 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 9.805 -23.617 17.347 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.482 -23.348 18.802 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 14.375 -26.909 16.937 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 15.087 -27.549 16.923 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 14.274 -26.642 16.023 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 14.728 -25.226 18.991 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.597 -25.702 18.170 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 14.129 -24.482 18.935 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 7.843 -13.707 1.650 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 8.757 -13.628 1.923 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 7.850 -14.394 0.983 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 6.492 -8.314 6.727 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 5.845 -8.776 6.194 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 6.847 -8.986 7.310 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 7.362 -10.233 8.532 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 7.028 -11.114 8.704 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 7.584 -9.888 9.396 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 8.261 -23.575 10.015 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.706 -24.367 10.317 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.727 -22.859 10.446 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.034 -12.405 17.627 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.213 -12.230 17.167 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.782 -12.478 18.548 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 9.390 -8.174 13.933 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.670 -7.734 13.482 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 9.024 -8.425 14.782 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 8.805 -9.551 10.844 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.786 -9.976 11.701 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.610 -9.869 10.435 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 10.946 -10.841 9.499 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.727 -11.757 9.668 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 11.770 -10.701 9.965 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 13.898 -26.146 7.127 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 14.772 -25.758 7.097 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 13.762 -26.361 8.050 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 8.056 -10.327 4.015 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 7.371 -10.365 3.347 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 8.059 -9.414 4.303 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.016 -24.359 1.560 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 10.507 -24.989 1.032 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.639 -24.063 2.223 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 9.698 -18.047 31.140 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 9.740 -18.673 31.864 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 10.401 -17.424 31.322 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 7.942 -17.775 27.194 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 8.156 -18.545 27.721 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.680 -17.686 26.591 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 18.860 -20.835 30.281 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 19.003 -21.782 30.301 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 18.754 -20.628 29.352 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 19.737 -22.603 25.954 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 20.383 -22.932 26.579 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 20.247 -22.085 25.331 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.635 -20.337 28.315 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 9.289 -20.887 28.747 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 8.659 -20.611 27.399 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.791 -18.787 27.531 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 14.407 -19.313 28.040 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.205 -19.427 27.127 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 7.923 -14.505 23.484 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 7.651 -14.276 22.595 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 7.968 -13.667 23.944 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.169 -16.833 26.415 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 11.839 -17.203 25.596 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 12.757 -17.503 26.761 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 12.536 -18.064 30.048 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 13.101 -17.943 29.285 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.855 -17.427 30.687 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.336 -17.467 33.994 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.406 -16.816 34.692 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 9.445 -17.364 33.659 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.159 -17.763 24.004 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.867 -16.995 23.513 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 10.485 -18.423 23.841 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 7.252 -15.400 32.819 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 6.751 -15.428 32.004 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 7.258 -16.306 33.129 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 7.003 -12.620 29.703 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 7.949 -12.764 29.684 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 6.890 -11.836 30.240 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 16.783 -25.885 33.232 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 17.203 -26.300 33.985 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 15.850 -26.063 33.349 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 12.211 -20.641 30.953 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.569 -20.682 31.662 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.248 -19.715 30.715 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 12.208 -20.420 25.865 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.315 -20.761 25.806 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 12.659 -20.797 25.109 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 17.744 -20.004 24.682 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 17.335 -19.189 24.390 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 18.464 -20.144 24.067 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 18.748 -20.558 27.496 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 18.553 -19.953 26.781 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 18.930 -21.392 27.061 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 9.961 -20.321 32.820 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.923 -19.921 33.688 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 9.470 -21.138 32.910 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 13.327 -22.947 19.618 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 12.896 -23.392 20.348 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.609 -22.575 19.106 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 13.271 -21.364 23.434 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 14.203 -21.235 23.612 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.056 -20.694 22.785 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 19.195 -23.758 30.215 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 18.518 -23.627 30.879 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 18.709 -23.913 29.405 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.945 -20.169 21.001 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.403 -20.549 20.310 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 12.779 -19.975 20.572 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 16.110 -20.205 28.838 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 16.674 -20.752 28.291 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 15.962 -20.727 29.627 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 14.736 -21.817 31.252 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 13.901 -21.363 31.362 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 15.260 -21.541 32.004 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.405 -16.309 28.706 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 11.150 -16.311 28.105 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 10.483 -17.133 29.188 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 7.413 -17.848 34.021 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 7.636 -18.266 34.853 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 6.811 -18.461 33.599 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.535 -17.929 20.698 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.151 -17.302 21.077 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.673 -17.613 20.969 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.047 -23.095 33.579 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 8.154 -22.756 33.512 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.948 -23.950 33.997 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.950 -16.016 22.190 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 9.264 -15.664 22.757 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 10.473 -15.253 21.944 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 17.782 -23.354 32.469 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 18.480 -23.280 33.119 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 17.401 -24.218 32.624 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 18.566 -23.702 23.566 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 18.786 -23.230 22.763 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 19.124 -23.307 24.237 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 15.766 -21.974 24.401 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 16.578 -21.470 24.447 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 15.521 -22.119 25.315 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 16.302 -20.988 33.586 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 16.421 -20.414 34.343 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 16.957 -21.676 33.701 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 16.650 -24.893 25.339 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 16.303 -24.275 25.984 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 17.308 -24.392 24.858 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 12.307 -23.830 22.027 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 12.224 -22.941 22.373 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 13.197 -24.095 22.258 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 10.566 -13.402 21.087 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.158 -12.703 21.363 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 11.025 -13.835 20.368 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 8.882 -20.738 20.203 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 8.837 -19.799 20.382 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 7.994 -20.974 19.933 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 8.620 -12.016 25.037 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 7.788 -11.543 25.064 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.166 -11.506 24.438 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 12.595 -19.384 34.115 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.977 -18.709 34.396 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 12.939 -19.063 33.282 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 12.935 -22.029 35.198 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 13.085 -22.758 34.595 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.937 -21.252 34.639 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 14.153 -26.203 33.122 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 14.055 -25.256 33.016 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 13.410 -26.575 32.646 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 9.594 -22.910 36.814 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 9.805 -23.617 36.203 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 9.482 -23.348 37.658 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 14.375 -26.909 35.793 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 15.087 -27.549 35.779 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.274 -26.642 34.879 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 7.843 -13.707 20.506 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 8.757 -13.628 20.779 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 7.850 -14.394 19.839 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 6.492 -8.314 25.583 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 5.845 -8.776 25.050 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 6.847 -8.986 26.166 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.362 -10.233 27.388 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 7.028 -11.114 27.560 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 7.584 -9.888 28.252 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 7.442 -17.158 29.839 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 7.626 -17.240 28.904 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 8.291 -17.282 30.263 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.040 -21.887 35.980 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 7.959 -22.009 36.216 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 6.590 -22.637 36.369 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 6.842 -25.580 32.339 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 6.177 -25.826 32.982 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 6.399 -24.958 31.762 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 19.455 -26.116 27.632 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 19.531 -26.021 26.683 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 19.179 -27.024 27.761 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 8.056 -10.327 22.871 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.371 -10.365 22.203 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 8.059 -9.414 23.159 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 15.042 -24.066 22.873 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 15.220 -24.712 23.556 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 14.988 -23.232 23.340 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.276 -25.559 35.687 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.910 -26.324 36.130 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 10.189 -25.530 35.974 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 11.249 -26.208 37.223 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 12.148 -26.482 37.038 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.863 -26.951 37.687 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 9.874 -9.407 19.896 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 9.606 -9.120 20.769 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 10.645 -9.953 20.048 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.040 -3.031 -1.732 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.959 -3.153 -1.496 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 6.590 -3.781 -1.343 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 7.844 -3.603 3.238 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.318 -3.012 2.653 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 7.126 -3.072 3.585 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.535 0.927 1.842 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.151 1.554 2.221 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 7.673 1.243 2.113 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 9.047 -4.239 14.723 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.154 -3.900 14.656 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.948 -5.094 15.141 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 8.882 -1.882 1.347 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 8.837 -0.943 1.526 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 7.994 -2.118 1.077 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 9.594 -4.054 17.958 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 9.805 -4.761 17.347 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 9.482 -4.492 18.802 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.040 -3.031 17.124 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.959 -3.153 17.360 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.590 -3.781 17.513 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 6.878 -5.462 5.139 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 5.953 -5.253 5.009 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.332 -4.978 4.449 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 6.842 -6.724 13.483 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 6.177 -6.970 14.126 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 6.399 -6.102 12.906 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 9.276 -6.703 16.831 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 8.910 -7.468 17.274 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 10.189 -6.674 17.118 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 11.249 -7.352 18.367 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 12.148 -7.626 18.182 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.863 -8.095 18.831 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 7.844 -3.603 22.094 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 8.318 -3.012 21.509 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.126 -3.072 22.441 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.882 -1.882 20.203 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.837 -0.943 20.382 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 7.994 -2.118 19.933 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 6.878 -5.462 23.995 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 5.953 -5.253 23.865 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.332 -4.978 23.305 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 8.155 -7.419 21.973 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 8.594 -6.808 21.382 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.521 -6.881 22.447 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 10.016 -5.503 20.416 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 10.507 -6.133 19.888 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 10.639 -5.207 21.079 0.00 0.00 WAT1 END