REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1306.35, 64.8855, 73.7539, 31.7704, 404.035, -369.877, -1513.39, 2.26523, 0.208904 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.844612E-03,0.439933,1.08279,42.4857,4.318742E-03,0.188016 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 28, 10 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.178 -0.212 -6.982 1.00 25.40 ATOM 2 CB MET 1 2.720 -0.703 -4.965 1.00 4.24 ATOM 3 HB1 MET 1 3.774 -0.621 -5.192 1.00 38.39 ATOM 4 HB2 MET 1 2.424 -1.739 -5.056 1.00 43.33 ATOM 5 CG MET 1 2.508 -0.273 -3.519 1.00 75.54 ATOM 6 HG1 MET 1 3.093 -0.915 -2.874 1.00 38.39 ATOM 7 HG2 MET 1 1.462 -0.379 -3.276 1.00 1.02 ATOM 8 SD MET 1 2.995 1.439 -3.225 1.00 52.11 ATOM 9 CE MET 1 2.627 1.604 -1.477 1.00 41.12 ATOM 10 HE1 MET 1 2.845 2.612 -1.157 1.00 43.53 ATOM 11 HE2 MET 1 3.234 0.909 -0.914 1.00 21.30 ATOM 12 HE3 MET 1 1.583 1.390 -1.307 1.00 13.30 ATOM 13 C MET 1 0.420 -0.070 -5.773 1.00 73.31 ATOM 14 O MET 1 -0.280 0.836 -5.315 1.00 75.42 ATOM 15 N MET 1 2.314 1.568 -5.895 1.00 32.12 ATOM 16 HT1 MET 1 1.867 2.112 -6.664 1.00 38.39 ATOM 17 HT2 MET 1 3.345 1.669 -5.971 1.00 38.39 ATOM 18 HT3 MET 1 2.009 1.965 -4.983 1.00 38.39 ATOM 19 CA MET 1 1.929 0.130 -5.987 1.00 50.32 ATOM 20 N GLY 2 -0.075 -1.259 -6.115 1.00 73.22 ATOM 21 HN GLY 2 0.521 -1.926 -6.522 1.00 38.39 ATOM 22 CA GLY 2 -1.487 -1.576 -5.915 1.00 11.21 ATOM 23 HA1 GLY 2 -2.081 -0.909 -6.522 1.00 38.39 ATOM 24 HA2 GLY 2 -1.737 -1.413 -4.876 1.00 3.22 ATOM 25 C GLY 2 -1.843 -3.015 -6.284 1.00 54.24 ATOM 26 O GLY 2 -1.055 -3.718 -6.923 1.00 53.43 ATOM 27 N HIS 3 -3.033 -3.455 -5.876 1.00 12.11 ATOM 28 HN HIS 3 -3.610 -2.848 -5.361 1.00 38.39 ATOM 29 CA HIS 3 -3.523 -4.806 -6.182 1.00 72.31 ATOM 30 HA HIS 3 -2.992 -5.164 -7.053 1.00 0.03 ATOM 31 CB HIS 3 -3.262 -5.764 -5.009 1.00 1.42 ATOM 32 HB1 HIS 3 -3.676 -6.735 -5.250 1.00 38.39 ATOM 33 HB2 HIS 3 -3.753 -5.383 -4.126 1.00 75.04 ATOM 34 CG HIS 3 -1.811 -5.951 -4.680 1.00 42.03 ATOM 35 ND1 HIS 3 -1.142 -5.167 -3.767 1.00 14.13 ATOM 36 HD1 HIS 3 -1.528 -4.418 -3.259 1.00 44.23 ATOM 37 CD2 HIS 3 -0.902 -6.848 -5.137 1.00 11.44 ATOM 38 HD2 HIS 3 -1.079 -7.627 -5.866 1.00 25.22 ATOM 39 CE1 HIS 3 0.110 -5.570 -3.676 1.00 13.23 ATOM 40 HE1 HIS 3 0.866 -5.141 -3.037 1.00 64.35 ATOM 41 NE2 HIS 3 0.282 -6.587 -4.494 1.00 23.31 ATOM 42 HE2 HIS 3 1.155 -6.982 -4.723 1.00 38.39 ATOM 43 C HIS 3 -5.026 -4.785 -6.492 1.00 51.42 ATOM 44 O HIS 3 -5.828 -4.309 -5.692 1.00 54.05 ATOM 45 N HIS 4 -5.400 -5.318 -7.651 1.00 1.53 ATOM 46 HN HIS 4 -4.713 -5.685 -8.246 1.00 38.39 ATOM 47 CA HIS 4 -6.810 -5.396 -8.054 1.00 22.21 ATOM 48 HA HIS 4 -7.409 -5.265 -7.162 1.00 61.42 ATOM 49 CB HIS 4 -7.163 -4.271 -9.046 1.00 2.31 ATOM 50 HB1 HIS 4 -7.155 -3.326 -8.520 1.00 38.39 ATOM 51 HB2 HIS 4 -8.155 -4.444 -9.436 1.00 64.15 ATOM 52 CG HIS 4 -6.231 -4.151 -10.219 1.00 64.33 ATOM 53 ND1 HIS 4 -6.376 -4.884 -11.378 1.00 65.41 ATOM 54 HD1 HIS 4 -7.073 -5.555 -11.551 1.00 35.55 ATOM 55 CD2 HIS 4 -5.148 -3.360 -10.418 1.00 10.21 ATOM 56 HD2 HIS 4 -4.738 -2.646 -9.718 1.00 32.23 ATOM 57 CE1 HIS 4 -5.430 -4.551 -12.232 1.00 4.44 ATOM 58 HE1 HIS 4 -5.299 -4.962 -13.222 1.00 22.13 ATOM 59 NE2 HIS 4 -4.675 -3.631 -11.677 1.00 40.32 ATOM 60 HE2 HIS 4 -3.981 -3.117 -12.146 1.00 38.39 ATOM 61 C HIS 4 -7.137 -6.775 -8.648 1.00 24.02 ATOM 62 O HIS 4 -6.698 -7.113 -9.749 1.00 54.41 ATOM 63 N HIS 5 -7.892 -7.575 -7.897 1.00 33.12 ATOM 64 HN HIS 5 -8.219 -7.241 -7.031 1.00 38.39 ATOM 65 CA HIS 5 -8.257 -8.934 -8.316 1.00 25.23 ATOM 66 HA HIS 5 -7.706 -9.170 -9.218 1.00 20.41 ATOM 67 CB HIS 5 -7.882 -9.949 -7.226 1.00 31.02 ATOM 68 HB1 HIS 5 -8.193 -10.936 -7.539 1.00 38.39 ATOM 69 HB2 HIS 5 -8.398 -9.691 -6.313 1.00 23.04 ATOM 70 CG HIS 5 -6.419 -10.005 -6.922 1.00 32.41 ATOM 71 ND1 HIS 5 -5.550 -10.862 -7.559 1.00 60.43 ATOM 72 HD1 HIS 5 -5.788 -11.503 -8.264 1.00 25.30 ATOM 73 CD2 HIS 5 -5.672 -9.316 -6.027 1.00 33.02 ATOM 74 HD2 HIS 5 -6.027 -8.551 -5.352 1.00 31.43 ATOM 75 CE1 HIS 5 -4.337 -10.698 -7.071 1.00 41.21 ATOM 76 HE1 HIS 5 -3.455 -11.234 -7.384 1.00 44.15 ATOM 77 NE2 HIS 5 -4.383 -9.766 -6.141 1.00 73.55 ATOM 78 HE2 HIS 5 -3.678 -9.613 -5.475 1.00 38.39 ATOM 79 C HIS 5 -9.758 -9.052 -8.608 1.00 44.20 ATOM 80 O HIS 5 -10.592 -8.629 -7.806 1.00 64.02 ATOM 81 N HIS 6 -10.098 -9.635 -9.754 1.00 72.04 ATOM 82 HN HIS 6 -9.398 -9.849 -10.409 1.00 38.39 ATOM 83 CA HIS 6 -11.494 -9.952 -10.070 1.00 71.32 ATOM 84 HA HIS 6 -12.111 -9.144 -9.694 1.00 21.10 ATOM 85 CB HIS 6 -11.686 -10.065 -11.588 1.00 1.41 ATOM 86 HB1 HIS 6 -11.089 -10.886 -11.958 1.00 38.39 ATOM 87 HB2 HIS 6 -11.353 -9.150 -12.054 1.00 31.44 ATOM 88 CG HIS 6 -13.108 -10.300 -12.007 1.00 53.21 ATOM 89 ND1 HIS 6 -14.023 -9.284 -12.159 1.00 22.23 ATOM 90 HD1 HIS 6 -13.847 -8.328 -12.015 1.00 44.42 ATOM 91 CD2 HIS 6 -13.774 -11.444 -12.300 1.00 35.43 ATOM 92 HD2 HIS 6 -13.368 -12.445 -12.282 1.00 44.35 ATOM 93 CE1 HIS 6 -15.183 -9.786 -12.524 1.00 3.22 ATOM 94 HE1 HIS 6 -16.085 -9.220 -12.710 1.00 15.35 ATOM 95 NE2 HIS 6 -15.063 -11.094 -12.617 1.00 61.11 ATOM 96 HE2 HIS 6 -15.818 -11.719 -12.666 1.00 38.39 ATOM 97 C HIS 6 -11.912 -11.259 -9.374 1.00 11.10 ATOM 98 O HIS 6 -13.098 -11.542 -9.210 1.00 33.43 ATOM 99 N HIS 7 -10.915 -12.052 -8.979 1.00 43.31 ATOM 100 HN HIS 7 -9.994 -11.787 -9.187 1.00 38.39 ATOM 101 CA HIS 7 -11.144 -13.298 -8.236 1.00 25.32 ATOM 102 HA HIS 7 -12.129 -13.667 -8.492 1.00 40.44 ATOM 103 CB HIS 7 -10.099 -14.349 -8.637 1.00 64.23 ATOM 104 HB1 HIS 7 -10.232 -15.231 -8.025 1.00 38.39 ATOM 105 HB2 HIS 7 -9.110 -13.948 -8.466 1.00 12.44 ATOM 106 CG HIS 7 -10.184 -14.770 -10.075 1.00 72.40 ATOM 107 ND1 HIS 7 -11.170 -15.606 -10.558 1.00 32.21 ATOM 108 HD1 HIS 7 -11.904 -15.994 -10.033 1.00 61.10 ATOM 109 CD2 HIS 7 -9.400 -14.473 -11.141 1.00 24.31 ATOM 110 HD2 HIS 7 -8.525 -13.839 -11.136 1.00 4.42 ATOM 111 CE1 HIS 7 -10.987 -15.805 -11.848 1.00 61.41 ATOM 112 HE1 HIS 7 -11.606 -16.416 -12.488 1.00 34.34 ATOM 113 NE2 HIS 7 -9.924 -15.131 -12.224 1.00 44.21 ATOM 114 HE2 HIS 7 -9.590 -15.072 -13.146 1.00 38.39 ATOM 115 C HIS 7 -11.086 -13.058 -6.718 1.00 21.44 ATOM 116 O HIS 7 -10.883 -11.929 -6.263 1.00 31.23 ATOM 117 N HIS 8 -11.271 -14.120 -5.931 1.00 70.31 ATOM 118 HN HIS 8 -11.477 -14.988 -6.341 1.00 38.39 ATOM 119 CA HIS 8 -11.183 -14.010 -4.468 1.00 73.22 ATOM 120 HA HIS 8 -11.445 -12.994 -4.206 1.00 45.41 ATOM 121 CB HIS 8 -12.181 -14.959 -3.778 1.00 61.52 ATOM 122 HB1 HIS 8 -13.184 -14.685 -4.076 1.00 38.39 ATOM 123 HB2 HIS 8 -12.093 -14.840 -2.708 1.00 74.24 ATOM 124 CG HIS 8 -11.992 -16.418 -4.090 1.00 32.04 ATOM 125 ND1 HIS 8 -10.997 -17.191 -3.526 1.00 4.51 ATOM 126 HD1 HIS 8 -10.309 -16.875 -2.906 1.00 12.11 ATOM 127 CD2 HIS 8 -12.693 -17.255 -4.892 1.00 33.33 ATOM 128 HD2 HIS 8 -13.552 -16.993 -5.496 1.00 52.43 ATOM 129 CE1 HIS 8 -11.096 -18.427 -3.967 1.00 33.04 ATOM 130 HE1 HIS 8 -10.452 -19.248 -3.692 1.00 12.43 ATOM 131 NE2 HIS 8 -12.114 -18.496 -4.795 1.00 43.33 ATOM 132 HE2 HIS 8 -12.522 -19.334 -5.107 1.00 38.39 ATOM 133 C HIS 8 -9.753 -14.280 -3.965 1.00 4.10 ATOM 134 O HIS 8 -9.196 -15.358 -4.185 1.00 71.45 ATOM 135 N SER 9 -9.165 -13.292 -3.292 1.00 63.21 ATOM 136 HN SER 9 -9.643 -12.441 -3.184 1.00 38.39 ATOM 137 CA SER 9 -7.818 -13.432 -2.710 1.00 15.41 ATOM 138 HA SER 9 -7.231 -14.060 -3.367 1.00 20.40 ATOM 139 CB SER 9 -7.136 -12.060 -2.591 1.00 52.12 ATOM 140 HB1 SER 9 -6.146 -12.189 -2.174 1.00 38.39 ATOM 141 HB2 SER 9 -7.715 -11.426 -1.940 1.00 12.10 ATOM 142 OG SER 9 -7.021 -11.422 -3.853 1.00 53.03 ATOM 143 HG SER 9 -6.810 -10.491 -3.718 1.00 22.34 ATOM 144 C SER 9 -7.878 -14.087 -1.323 1.00 75.24 ATOM 145 O SER 9 -8.904 -14.029 -0.642 1.00 31.42 ATOM 146 N HIS 10 -6.774 -14.696 -0.896 1.00 23.32 ATOM 147 HN HIS 10 -5.975 -14.696 -1.469 1.00 38.39 ATOM 148 CA HIS 10 -6.711 -15.343 0.422 1.00 71.14 ATOM 149 HA HIS 10 -7.436 -14.855 1.060 1.00 1.42 ATOM 150 CB HIS 10 -7.072 -16.838 0.315 1.00 34.31 ATOM 151 HB1 HIS 10 -8.013 -16.934 -0.210 1.00 38.39 ATOM 152 HB2 HIS 10 -7.185 -17.243 1.310 1.00 31.00 ATOM 153 CG HIS 10 -6.055 -17.678 -0.403 1.00 5.01 ATOM 154 ND1 HIS 10 -6.158 -18.021 -1.734 1.00 41.32 ATOM 155 HD1 HIS 10 -6.888 -17.768 -2.338 1.00 51.11 ATOM 156 CD2 HIS 10 -4.917 -18.266 0.042 1.00 11.52 ATOM 157 HD2 HIS 10 -4.518 -18.213 1.046 1.00 1.10 ATOM 158 CE1 HIS 10 -5.133 -18.778 -2.075 1.00 3.33 ATOM 159 HE1 HIS 10 -4.951 -19.190 -3.057 1.00 65.34 ATOM 160 NE2 HIS 10 -4.367 -18.941 -1.017 1.00 23.34 ATOM 161 HE2 HIS 10 -3.615 -19.569 -0.958 1.00 38.39 ATOM 162 C HIS 10 -5.318 -15.175 1.055 1.00 20.43 ATOM 163 O HIS 10 -4.309 -15.160 0.348 1.00 25.40 ATOM 164 N PRO 11 -5.241 -15.047 2.394 1.00 75.32 ATOM 165 CA PRO 11 -3.952 -14.918 3.096 1.00 0.04 ATOM 166 HA PRO 11 -3.421 -14.032 2.774 1.00 42.42 ATOM 167 CB PRO 11 -4.353 -14.766 4.576 1.00 13.12 ATOM 168 HB1 PRO 11 -4.313 -13.722 4.856 1.00 38.39 ATOM 169 HB2 PRO 11 -3.675 -15.332 5.201 1.00 20.22 ATOM 170 CG PRO 11 -5.746 -15.297 4.658 1.00 55.25 ATOM 171 HG1 PRO 11 -6.286 -14.799 5.453 1.00 38.39 ATOM 172 HG2 PRO 11 -5.721 -16.364 4.836 1.00 14.02 ATOM 173 CD PRO 11 -6.384 -15.004 3.326 1.00 74.50 ATOM 174 HD1 PRO 11 -6.842 -14.026 3.330 1.00 38.39 ATOM 175 HD2 PRO 11 -7.112 -15.764 3.081 1.00 14.22 ATOM 176 C PRO 11 -3.045 -16.146 2.895 1.00 51.13 ATOM 177 O PRO 11 -3.487 -17.289 3.017 1.00 21.13 ATOM 178 N ASN 12 -1.777 -15.896 2.576 1.00 40.41 ATOM 179 HN ASN 12 -1.490 -14.965 2.477 1.00 38.39 ATOM 180 CA ASN 12 -0.799 -16.970 2.356 1.00 21.40 ATOM 181 HA ASN 12 -1.233 -17.676 1.661 1.00 12.01 ATOM 182 CB ASN 12 0.477 -16.375 1.733 1.00 70.11 ATOM 183 HB1 ASN 12 0.925 -15.690 2.440 1.00 38.39 ATOM 184 HB2 ASN 12 0.209 -15.832 0.839 1.00 41.11 ATOM 185 CG ASN 12 1.511 -17.423 1.355 1.00 14.44 ATOM 186 OD1 ASN 12 1.176 -18.558 1.039 1.00 54.41 ATOM 187 ND2 ASN 12 2.774 -17.050 1.377 1.00 23.31 ATOM 188 HD21 ASN 12 2.984 -16.127 1.632 1.00 12.43 ATOM 189 HD22 ASN 12 3.453 -17.712 1.129 1.00 74.22 ATOM 190 C ASN 12 -0.467 -17.705 3.673 1.00 72.03 ATOM 191 O ASN 12 -0.782 -17.217 4.761 1.00 41.33 ATOM 192 N GLU 13 0.165 -18.878 3.566 1.00 60.25 ATOM 193 HN GLU 13 0.349 -19.238 2.668 1.00 38.39 ATOM 194 CA GLU 13 0.584 -19.663 4.741 1.00 64.34 ATOM 195 HA GLU 13 -0.306 -20.066 5.205 1.00 4.33 ATOM 196 CB GLU 13 1.485 -20.825 4.291 1.00 43.23 ATOM 197 HB1 GLU 13 2.353 -20.417 3.793 1.00 38.39 ATOM 198 HB2 GLU 13 0.938 -21.435 3.586 1.00 20.45 ATOM 199 CG GLU 13 1.968 -21.730 5.421 1.00 31.01 ATOM 200 HG1 GLU 13 1.110 -22.205 5.877 1.00 38.39 ATOM 201 HG2 GLU 13 2.476 -21.126 6.161 1.00 24.15 ATOM 202 CD GLU 13 2.923 -22.809 4.929 1.00 62.21 ATOM 203 OE1 GLU 13 4.141 -22.551 4.870 1.00 43.04 ATOM 204 OE2 GLU 13 2.463 -23.918 4.591 1.00 75.12 ATOM 205 C GLU 13 1.334 -18.792 5.765 1.00 53.45 ATOM 206 O GLU 13 0.908 -18.655 6.914 1.00 12.12 ATOM 207 N GLU 14 2.436 -18.182 5.326 1.00 10.45 ATOM 208 HN GLU 14 2.728 -18.337 4.404 1.00 38.39 ATOM 209 CA GLU 14 3.237 -17.299 6.185 1.00 22.14 ATOM 210 HA GLU 14 3.529 -17.868 7.057 1.00 62.51 ATOM 211 CB GLU 14 4.503 -16.850 5.442 1.00 12.14 ATOM 212 HB1 GLU 14 5.010 -16.100 6.036 1.00 38.39 ATOM 213 HB2 GLU 14 4.216 -16.409 4.498 1.00 30.22 ATOM 214 CG GLU 14 5.490 -17.980 5.159 1.00 42.12 ATOM 215 HG1 GLU 14 6.278 -17.603 4.518 1.00 38.39 ATOM 216 HG2 GLU 14 4.969 -18.777 4.647 1.00 51.43 ATOM 217 CD GLU 14 6.122 -18.544 6.426 1.00 42.12 ATOM 218 OE1 GLU 14 7.012 -17.878 6.998 1.00 64.14 ATOM 219 OE2 GLU 14 5.750 -19.655 6.848 1.00 14.12 ATOM 220 C GLU 14 2.438 -16.068 6.649 1.00 20.01 ATOM 221 O GLU 14 2.692 -15.520 7.723 1.00 42.32 ATOM 222 N ALA 15 1.464 -15.646 5.839 1.00 13.14 ATOM 223 HN ALA 15 1.293 -16.134 5.010 1.00 38.39 ATOM 224 CA ALA 15 0.638 -14.476 6.166 1.00 23.32 ATOM 225 HA ALA 15 1.306 -13.650 6.377 1.00 62.41 ATOM 226 CB ALA 15 -0.228 -14.086 4.973 1.00 73.43 ATOM 227 HB1 ALA 15 -0.813 -13.211 5.219 1.00 72.44 ATOM 228 HB2 ALA 15 -0.891 -14.903 4.725 1.00 20.34 ATOM 229 HB3 ALA 15 0.404 -13.867 4.124 1.00 74.10 ATOM 230 C ALA 15 -0.237 -14.732 7.405 1.00 55.13 ATOM 231 O ALA 15 -0.245 -13.935 8.343 1.00 42.23 ATOM 232 N ARG 16 -0.967 -15.851 7.414 1.00 20.30 ATOM 233 HN ARG 16 -0.976 -16.426 6.619 1.00 38.39 ATOM 234 CA ARG 16 -1.759 -16.227 8.593 1.00 33.41 ATOM 235 HA ARG 16 -2.315 -15.349 8.896 1.00 22.23 ATOM 236 CB ARG 16 -2.759 -17.351 8.275 1.00 33.45 ATOM 237 HB1 ARG 16 -3.459 -16.986 7.536 1.00 38.39 ATOM 238 HB2 ARG 16 -3.303 -17.597 9.176 1.00 44.41 ATOM 239 CG ARG 16 -2.131 -18.632 7.737 1.00 64.21 ATOM 240 HG1 ARG 16 -1.356 -18.957 8.417 1.00 38.39 ATOM 241 HG2 ARG 16 -1.696 -18.427 6.768 1.00 72.32 ATOM 242 CD ARG 16 -3.164 -19.750 7.589 1.00 12.14 ATOM 243 HD1 ARG 16 -3.438 -20.101 8.574 1.00 38.39 ATOM 244 HD2 ARG 16 -2.720 -20.563 7.032 1.00 3.12 ATOM 245 NE ARG 16 -4.375 -19.303 6.893 1.00 42.01 ATOM 246 HE ARG 16 -5.192 -19.227 7.419 1.00 14.32 ATOM 247 CZ ARG 16 -4.433 -19.010 5.621 1.00 52.02 ATOM 248 NH1 ARG 16 -3.385 -19.107 4.867 1.00 71.05 ATOM 249 HH11 ARG 16 -2.523 -19.411 5.249 1.00 50.55 ATOM 250 HH12 ARG 16 -3.449 -18.865 3.899 1.00 75.22 ATOM 251 NH2 ARG 16 -5.550 -18.628 5.098 1.00 50.24 ATOM 252 HH21 ARG 16 -6.371 -18.559 5.663 1.00 12.31 ATOM 253 HH22 ARG 16 -5.593 -18.415 4.122 1.00 74.44 ATOM 254 C ARG 16 -0.845 -16.632 9.756 1.00 32.12 ATOM 255 O ARG 16 -1.172 -16.410 10.923 1.00 34.14 ATOM 256 N LEU 17 0.302 -17.226 9.430 1.00 0.24 ATOM 257 HN LEU 17 0.477 -17.443 8.489 1.00 38.39 ATOM 258 CA LEU 17 1.308 -17.568 10.436 1.00 40.43 ATOM 259 HA LEU 17 0.847 -18.241 11.147 1.00 4.42 ATOM 260 CB LEU 17 2.495 -18.278 9.780 1.00 22.44 ATOM 261 HB1 LEU 17 2.908 -17.620 9.027 1.00 38.39 ATOM 262 HB2 LEU 17 2.127 -19.169 9.288 1.00 72.52 ATOM 263 CG LEU 17 3.626 -18.685 10.738 1.00 61.31 ATOM 264 HG LEU 17 3.993 -17.802 11.243 1.00 14.44 ATOM 265 CD1 LEU 17 3.115 -19.649 11.804 1.00 70.15 ATOM 266 HD11 LEU 17 2.712 -20.532 11.329 1.00 30.20 ATOM 267 HD12 LEU 17 2.342 -19.168 12.385 1.00 2.35 ATOM 268 HD13 LEU 17 3.930 -19.931 12.455 1.00 21.20 ATOM 269 CD2 LEU 17 4.785 -19.301 9.967 1.00 22.54 ATOM 270 HD21 LEU 17 4.439 -20.172 9.430 1.00 20.31 ATOM 271 HD22 LEU 17 5.564 -19.590 10.658 1.00 20.42 ATOM 272 HD23 LEU 17 5.177 -18.579 9.265 1.00 3.14 ATOM 273 C LEU 17 1.790 -16.314 11.184 1.00 60.31 ATOM 274 O LEU 17 1.970 -16.337 12.400 1.00 50.54 ATOM 275 N ASP 18 1.992 -15.221 10.446 1.00 34.14 ATOM 276 HN ASP 18 1.876 -15.275 9.472 1.00 38.39 ATOM 277 CA ASP 18 2.384 -13.941 11.045 1.00 11.32 ATOM 278 HA ASP 18 3.336 -14.084 11.539 1.00 12.40 ATOM 279 CB ASP 18 2.543 -12.881 9.947 1.00 23.34 ATOM 280 HB1 ASP 18 1.578 -12.696 9.492 1.00 38.39 ATOM 281 HB2 ASP 18 3.223 -13.252 9.194 1.00 42.31 ATOM 282 CG ASP 18 3.089 -11.567 10.479 1.00 3.12 ATOM 283 OD1 ASP 18 4.232 -11.561 10.989 1.00 3.43 ATOM 284 OD2 ASP 18 2.395 -10.535 10.373 1.00 42.40 ATOM 285 C ASP 18 1.346 -13.489 12.087 1.00 42.52 ATOM 286 O ASP 18 1.696 -13.027 13.177 1.00 35.20 ATOM 287 N ILE 19 0.070 -13.642 11.741 1.00 44.21 ATOM 288 HN ILE 19 -0.138 -13.942 10.830 1.00 38.39 ATOM 289 CA ILE 19 -1.034 -13.368 12.667 1.00 71.21 ATOM 290 HA ILE 19 -0.975 -12.331 12.970 1.00 72.44 ATOM 291 CB ILE 19 -2.401 -13.609 11.983 1.00 3.02 ATOM 292 HB ILE 19 -2.497 -14.670 11.788 1.00 31.32 ATOM 293 CG1 ILE 19 -2.477 -12.848 10.650 1.00 73.41 ATOM 294 HG11 ILE 19 -1.597 -13.073 10.063 1.00 38.39 ATOM 295 HG12 ILE 19 -2.508 -11.785 10.847 1.00 30.24 ATOM 296 CG2 ILE 19 -3.546 -13.194 12.905 1.00 21.44 ATOM 297 HG21 ILE 19 -3.496 -13.763 13.823 1.00 71.20 ATOM 298 HG22 ILE 19 -4.491 -13.386 12.416 1.00 41.43 ATOM 299 HG23 ILE 19 -3.467 -12.139 13.131 1.00 35.12 ATOM 300 CD1 ILE 19 -3.693 -13.198 9.818 1.00 23.21 ATOM 301 HD11 ILE 19 -3.668 -12.640 8.894 1.00 12.34 ATOM 302 HD12 ILE 19 -4.590 -12.948 10.365 1.00 14.04 ATOM 303 HD13 ILE 19 -3.686 -14.257 9.600 1.00 3.21 ATOM 304 C ILE 19 -0.940 -14.268 13.911 1.00 74.43 ATOM 305 O ILE 19 -1.030 -13.800 15.050 1.00 63.51 ATOM 306 N LEU 20 -0.759 -15.567 13.674 1.00 45.40 ATOM 307 HN LEU 20 -0.747 -15.879 12.744 1.00 38.39 ATOM 308 CA LEU 20 -0.578 -16.548 14.752 1.00 52.31 ATOM 309 HA LEU 20 -1.490 -16.568 15.335 1.00 72.00 ATOM 310 CB LEU 20 -0.340 -17.941 14.150 1.00 43.32 ATOM 311 HB1 LEU 20 -0.080 -18.619 14.952 1.00 38.39 ATOM 312 HB2 LEU 20 0.500 -17.876 13.472 1.00 45.23 ATOM 313 CG LEU 20 -1.539 -18.535 13.385 1.00 51.14 ATOM 314 HG LEU 20 -1.943 -17.783 12.722 1.00 33.13 ATOM 315 CD1 LEU 20 -1.110 -19.725 12.530 1.00 52.32 ATOM 316 HD11 LEU 20 -0.380 -19.400 11.802 1.00 23.50 ATOM 317 HD12 LEU 20 -1.972 -20.127 12.016 1.00 22.43 ATOM 318 HD13 LEU 20 -0.676 -20.489 13.159 1.00 22.34 ATOM 319 CD2 LEU 20 -2.645 -18.949 14.357 1.00 53.24 ATOM 320 HD21 LEU 20 -2.273 -19.712 15.026 1.00 63.14 ATOM 321 HD22 LEU 20 -3.486 -19.338 13.802 1.00 10.12 ATOM 322 HD23 LEU 20 -2.961 -18.090 14.931 1.00 61.21 ATOM 323 C LEU 20 0.588 -16.152 15.673 1.00 35.22 ATOM 324 O LEU 20 0.506 -16.301 16.892 1.00 72.14 ATOM 325 N LYS 21 1.667 -15.635 15.082 1.00 11.12 ATOM 326 HN LYS 21 1.701 -15.599 14.102 1.00 38.39 ATOM 327 CA LYS 21 2.802 -15.123 15.856 1.00 22.34 ATOM 328 HA LYS 21 3.158 -15.926 16.485 1.00 1.31 ATOM 329 CB LYS 21 3.943 -14.683 14.923 1.00 61.22 ATOM 330 HB1 LYS 21 4.718 -14.214 15.515 1.00 38.39 ATOM 331 HB2 LYS 21 3.557 -13.958 14.219 1.00 1.23 ATOM 332 CG LYS 21 4.575 -15.830 14.131 1.00 71.32 ATOM 333 HG1 LYS 21 3.806 -16.313 13.545 1.00 38.39 ATOM 334 HG2 LYS 21 5.000 -16.542 14.825 1.00 34.32 ATOM 335 CD LYS 21 5.675 -15.334 13.194 1.00 61.34 ATOM 336 HD1 LYS 21 6.442 -14.844 13.780 1.00 38.39 ATOM 337 HD2 LYS 21 5.249 -14.627 12.498 1.00 44.23 ATOM 338 CE LYS 21 6.314 -16.475 12.403 1.00 73.32 ATOM 339 HE1 LYS 21 7.024 -16.056 11.704 1.00 38.39 ATOM 340 HE2 LYS 21 5.541 -16.997 11.857 1.00 12.24 ATOM 341 NZ LYS 21 7.019 -17.446 13.283 1.00 51.23 ATOM 342 HZ1 LYS 21 7.803 -16.977 13.780 1.00 41.31 ATOM 343 HZ2 LYS 21 7.408 -18.228 12.717 1.00 74.23 ATOM 344 HZ3 LYS 21 6.362 -17.837 13.988 1.00 72.23 ATOM 345 C LYS 21 2.367 -13.954 16.757 1.00 62.23 ATOM 346 O LYS 21 2.703 -13.913 17.940 1.00 3.30 ATOM 347 N ILE 22 1.591 -13.026 16.198 1.00 50.30 ATOM 348 HN ILE 22 1.361 -13.108 15.246 1.00 38.39 ATOM 349 CA ILE 22 1.073 -11.880 16.962 1.00 21.11 ATOM 350 HA ILE 22 1.921 -11.287 17.278 1.00 25.25 ATOM 351 CB ILE 22 0.155 -10.987 16.085 1.00 34.15 ATOM 352 HB ILE 22 -0.666 -11.596 15.732 1.00 54.10 ATOM 353 CG1 ILE 22 0.932 -10.447 14.872 1.00 63.34 ATOM 354 HG11 ILE 22 1.328 -11.280 14.307 1.00 38.39 ATOM 355 HG12 ILE 22 1.752 -9.835 15.219 1.00 25.11 ATOM 356 CG2 ILE 22 -0.433 -9.836 16.904 1.00 3.13 ATOM 357 HG21 ILE 22 0.368 -9.232 17.307 1.00 42.21 ATOM 358 HG22 ILE 22 -1.025 -10.234 17.716 1.00 12.32 ATOM 359 HG23 ILE 22 -1.060 -9.223 16.272 1.00 0.31 ATOM 360 CD1 ILE 22 0.095 -9.605 13.930 1.00 43.11 ATOM 361 HD11 ILE 22 -0.301 -8.753 14.463 1.00 25.12 ATOM 362 HD12 ILE 22 -0.721 -10.199 13.543 1.00 25.34 ATOM 363 HD13 ILE 22 0.710 -9.263 13.111 1.00 73.43 ATOM 364 C ILE 22 0.295 -12.339 18.211 1.00 54.25 ATOM 365 O ILE 22 0.521 -11.842 19.316 1.00 43.33 ATOM 366 N HIS 23 -0.609 -13.302 18.030 1.00 34.54 ATOM 367 HN HIS 23 -0.749 -13.658 17.127 1.00 38.39 ATOM 368 CA HIS 23 -1.392 -13.849 19.147 1.00 10.14 ATOM 369 HA HIS 23 -1.836 -13.015 19.675 1.00 14.20 ATOM 370 CB HIS 23 -2.515 -14.755 18.621 1.00 21.41 ATOM 371 HB1 HIS 23 -2.984 -15.257 19.456 1.00 38.39 ATOM 372 HB2 HIS 23 -2.088 -15.496 17.961 1.00 22.22 ATOM 373 CG HIS 23 -3.586 -14.029 17.861 1.00 14.13 ATOM 374 ND1 HIS 23 -4.673 -13.444 18.469 1.00 52.25 ATOM 375 HD1 HIS 23 -4.855 -13.435 19.434 1.00 71.33 ATOM 376 CD2 HIS 23 -3.740 -13.806 16.533 1.00 73.42 ATOM 377 HD2 HIS 23 -3.072 -14.129 15.748 1.00 11.43 ATOM 378 CE1 HIS 23 -5.447 -12.896 17.555 1.00 12.45 ATOM 379 HE1 HIS 23 -6.370 -12.368 17.745 1.00 61.40 ATOM 380 NE2 HIS 23 -4.907 -13.098 16.371 1.00 33.41 ATOM 381 HE2 HIS 23 -5.138 -12.584 15.563 1.00 38.39 ATOM 382 C HIS 23 -0.504 -14.635 20.131 1.00 10.05 ATOM 383 O HIS 23 -0.590 -14.449 21.347 1.00 75.03 ATOM 384 N SER 24 0.363 -15.496 19.595 1.00 34.41 ATOM 385 HN SER 24 0.427 -15.554 18.619 1.00 38.39 ATOM 386 CA SER 24 1.219 -16.372 20.417 1.00 5.11 ATOM 387 HA SER 24 0.567 -16.989 21.021 1.00 32.21 ATOM 388 CB SER 24 2.068 -17.286 19.524 1.00 75.45 ATOM 389 HB1 SER 24 1.424 -17.798 18.822 1.00 38.39 ATOM 390 HB2 SER 24 2.579 -18.014 20.137 1.00 23.33 ATOM 391 OG SER 24 3.036 -16.549 18.795 1.00 51.33 ATOM 392 HG SER 24 2.611 -15.796 18.373 1.00 31.32 ATOM 393 C SER 24 2.145 -15.579 21.353 1.00 70.15 ATOM 394 O SER 24 2.546 -16.073 22.407 1.00 42.00 ATOM 395 N ARG 25 2.493 -14.355 20.961 1.00 3.33 ATOM 396 HN ARG 25 2.176 -14.024 20.093 1.00 38.39 ATOM 397 CA ARG 25 3.346 -13.493 21.791 1.00 65.42 ATOM 398 HA ARG 25 4.196 -14.083 22.105 1.00 61.12 ATOM 399 CB ARG 25 3.854 -12.296 20.971 1.00 35.13 ATOM 400 HB1 ARG 25 4.379 -11.618 21.630 1.00 38.39 ATOM 401 HB2 ARG 25 3.005 -11.780 20.543 1.00 64.03 ATOM 402 CG ARG 25 4.799 -12.689 19.838 1.00 25.11 ATOM 403 HG1 ARG 25 4.303 -13.412 19.204 1.00 38.39 ATOM 404 HG2 ARG 25 5.686 -13.136 20.262 1.00 72.20 ATOM 405 CD ARG 25 5.211 -11.487 18.990 1.00 13.24 ATOM 406 HD1 ARG 25 5.713 -10.770 19.624 1.00 38.39 ATOM 407 HD2 ARG 25 4.323 -11.036 18.570 1.00 25.35 ATOM 408 NE ARG 25 6.109 -11.868 17.901 1.00 44.02 ATOM 409 HE ARG 25 6.470 -12.777 17.911 1.00 23.50 ATOM 410 CZ ARG 25 6.451 -11.079 16.915 1.00 5.41 ATOM 411 NH1 ARG 25 6.022 -9.858 16.861 1.00 3.13 ATOM 412 HH11 ARG 25 5.426 -9.506 17.580 1.00 31.42 ATOM 413 HH12 ARG 25 6.290 -9.270 16.100 1.00 63.31 ATOM 414 NH2 ARG 25 7.242 -11.514 15.990 1.00 74.54 ATOM 415 HH21 ARG 25 7.591 -12.447 16.031 1.00 52.11 ATOM 416 HH22 ARG 25 7.503 -10.916 15.234 1.00 13.33 ATOM 417 C ARG 25 2.607 -13.001 23.047 1.00 42.43 ATOM 418 O ARG 25 3.221 -12.758 24.088 1.00 5.12 ATOM 419 N LYS 26 1.288 -12.857 22.948 1.00 22.33 ATOM 420 HN LYS 26 0.850 -13.071 22.097 1.00 38.39 ATOM 421 CA LYS 26 0.473 -12.383 24.076 1.00 61.03 ATOM 422 HA LYS 26 1.117 -11.819 24.738 1.00 1.23 ATOM 423 CB LYS 26 -0.644 -11.461 23.570 1.00 42.30 ATOM 424 HB1 LYS 26 -1.182 -11.066 24.420 1.00 38.39 ATOM 425 HB2 LYS 26 -1.326 -12.042 22.963 1.00 72.10 ATOM 426 CG LYS 26 -0.139 -10.286 22.733 1.00 52.44 ATOM 427 HG1 LYS 26 0.311 -10.673 21.827 1.00 38.39 ATOM 428 HG2 LYS 26 0.606 -9.747 23.301 1.00 63.13 ATOM 429 CD LYS 26 -1.266 -9.324 22.359 1.00 70.03 ATOM 430 HD1 LYS 26 -2.059 -9.881 21.878 1.00 38.39 ATOM 431 HD2 LYS 26 -0.879 -8.586 21.672 1.00 41.01 ATOM 432 CE LYS 26 -1.832 -8.609 23.582 1.00 21.13 ATOM 433 HE1 LYS 26 -2.134 -9.347 24.312 1.00 38.39 ATOM 434 HE2 LYS 26 -2.694 -8.034 23.278 1.00 24.31 ATOM 435 NZ LYS 26 -0.839 -7.692 24.202 1.00 32.11 ATOM 436 HZ1 LYS 26 -1.209 -7.315 25.099 1.00 31.13 ATOM 437 HZ2 LYS 26 -0.640 -6.898 23.566 1.00 43.43 ATOM 438 HZ3 LYS 26 0.051 -8.196 24.393 1.00 0.43 ATOM 439 C LYS 26 -0.136 -13.554 24.868 1.00 33.35 ATOM 440 O LYS 26 -0.488 -13.411 26.040 1.00 21.53 ATOM 441 N MET 27 -0.260 -14.708 24.218 1.00 35.24 ATOM 442 HN MET 27 0.059 -14.764 23.293 1.00 38.39 ATOM 443 CA MET 27 -0.856 -15.901 24.839 1.00 73.01 ATOM 444 HA MET 27 -1.552 -15.570 25.599 1.00 64.33 ATOM 445 CB MET 27 -1.625 -16.706 23.780 1.00 31.51 ATOM 446 HB1 MET 27 -1.991 -17.617 24.232 1.00 38.39 ATOM 447 HB2 MET 27 -0.950 -16.960 22.975 1.00 52.01 ATOM 448 CG MET 27 -2.812 -15.959 23.187 1.00 42.11 ATOM 449 HG1 MET 27 -2.479 -14.984 22.862 1.00 38.39 ATOM 450 HG2 MET 27 -3.568 -15.842 23.951 1.00 11.43 ATOM 451 SD MET 27 -3.545 -16.817 21.775 1.00 33.15 ATOM 452 CE MET 27 -3.884 -18.433 22.476 1.00 53.43 ATOM 453 HE1 MET 27 -2.958 -18.886 22.802 1.00 45.22 ATOM 454 HE2 MET 27 -4.347 -19.059 21.728 1.00 12.43 ATOM 455 HE3 MET 27 -4.552 -18.328 23.318 1.00 70.01 ATOM 456 C MET 27 0.206 -16.799 25.498 1.00 51.13 ATOM 457 O MET 27 1.290 -16.998 24.952 1.00 43.42 ATOM 458 N ASN 28 -0.111 -17.333 26.676 1.00 65.22 ATOM 459 HN ASN 28 -0.952 -17.075 27.104 1.00 38.39 ATOM 460 CA ASN 28 0.768 -18.299 27.351 1.00 12.45 ATOM 461 HA ASN 28 1.779 -17.917 27.313 1.00 34.42 ATOM 462 CB ASN 28 0.338 -18.455 28.820 1.00 1.03 ATOM 463 HB1 ASN 28 -0.618 -18.961 28.856 1.00 38.39 ATOM 464 HB2 ASN 28 0.232 -17.475 29.261 1.00 72.25 ATOM 465 CG ASN 28 1.333 -19.248 29.654 1.00 74.30 ATOM 466 OD1 ASN 28 2.029 -20.126 29.161 1.00 12.14 ATOM 467 ND2 ASN 28 1.412 -18.942 30.935 1.00 72.14 ATOM 468 HD21 ASN 28 0.837 -18.229 31.277 1.00 10.11 ATOM 469 HD22 ASN 28 2.040 -19.448 31.490 1.00 30.31 ATOM 470 C ASN 28 0.711 -19.653 26.620 1.00 14.53 ATOM 471 O ASN 28 -0.368 -20.212 26.430 1.00 43.12 ATOM 472 N LEU 29 1.868 -20.173 26.206 1.00 35.15 ATOM 473 HN LEU 29 2.706 -19.738 26.469 1.00 38.39 ATOM 474 CA LEU 29 1.919 -21.392 25.380 1.00 62.34 ATOM 475 HA LEU 29 0.916 -21.790 25.313 1.00 52.54 ATOM 476 CB LEU 29 2.406 -21.059 23.963 1.00 22.34 ATOM 477 HB1 LEU 29 2.473 -21.982 23.404 1.00 38.39 ATOM 478 HB2 LEU 29 3.399 -20.637 24.042 1.00 44.30 ATOM 479 CG LEU 29 1.532 -20.078 23.166 1.00 15.23 ATOM 480 HG LEU 29 1.542 -19.118 23.664 1.00 4.33 ATOM 481 CD1 LEU 29 2.097 -19.880 21.765 1.00 72.42 ATOM 482 HD11 LEU 29 3.106 -19.501 21.833 1.00 3.53 ATOM 483 HD12 LEU 29 1.484 -19.172 21.227 1.00 52.22 ATOM 484 HD13 LEU 29 2.104 -20.823 21.238 1.00 34.21 ATOM 485 CD2 LEU 29 0.084 -20.560 23.102 1.00 51.31 ATOM 486 HD21 LEU 29 -0.317 -20.630 24.102 1.00 42.44 ATOM 487 HD22 LEU 29 0.045 -21.532 22.630 1.00 22.42 ATOM 488 HD23 LEU 29 -0.505 -19.858 22.530 1.00 40.00 ATOM 489 C LEU 29 2.831 -22.477 25.973 1.00 72.25 ATOM 490 O LEU 29 3.512 -22.267 26.976 1.00 43.34 ATOM 491 N THR 30 2.828 -23.645 25.329 1.00 25.05 ATOM 492 HN THR 30 2.211 -23.764 24.576 1.00 38.39 ATOM 493 CA THR 30 3.705 -24.761 25.716 1.00 43.34 ATOM 494 HA THR 30 3.678 -24.848 26.794 1.00 1.12 ATOM 495 CB THR 30 3.214 -26.102 25.111 1.00 20.55 ATOM 496 HB THR 30 2.208 -26.289 25.465 1.00 14.21 ATOM 497 OG1 THR 30 4.066 -27.181 25.536 1.00 25.10 ATOM 498 HG1 THR 30 3.550 -28.001 25.587 1.00 44.22 ATOM 499 CG2 THR 30 3.186 -26.044 23.585 1.00 30.31 ATOM 500 HG21 THR 30 2.535 -25.243 23.263 1.00 63.43 ATOM 501 HG22 THR 30 2.818 -26.983 23.194 1.00 50.12 ATOM 502 HG23 THR 30 4.185 -25.868 23.210 1.00 14.23 ATOM 503 C THR 30 5.159 -24.520 25.273 1.00 54.43 ATOM 504 O THR 30 5.463 -23.532 24.605 1.00 41.31 ATOM 505 N ARG 31 6.052 -25.438 25.638 1.00 33.33 ATOM 506 HN ARG 31 5.745 -26.222 26.143 1.00 38.39 ATOM 507 CA ARG 31 7.478 -25.313 25.307 1.00 55.51 ATOM 508 HA ARG 31 7.725 -24.260 25.297 1.00 42.54 ATOM 509 CB ARG 31 8.324 -26.008 26.384 1.00 44.54 ATOM 510 HB1 ARG 31 9.371 -25.870 26.152 1.00 38.39 ATOM 511 HB2 ARG 31 8.100 -27.066 26.374 1.00 34.43 ATOM 512 CG ARG 31 8.072 -25.481 27.796 1.00 43.20 ATOM 513 HG1 ARG 31 8.702 -26.023 28.488 1.00 38.39 ATOM 514 HG2 ARG 31 7.035 -25.645 28.050 1.00 21.41 ATOM 515 CD ARG 31 8.377 -23.991 27.911 1.00 31.04 ATOM 516 HD1 ARG 31 8.131 -23.664 28.912 1.00 38.39 ATOM 517 HD2 ARG 31 7.767 -23.452 27.200 1.00 2.04 ATOM 518 NE ARG 31 9.787 -23.697 27.654 1.00 52.42 ATOM 519 HE ARG 31 10.441 -24.386 27.884 1.00 1.32 ATOM 520 CZ ARG 31 10.229 -22.566 27.170 1.00 65.40 ATOM 521 NH1 ARG 31 9.410 -21.638 26.800 1.00 2.22 ATOM 522 HH11 ARG 31 8.426 -21.779 26.872 1.00 12.54 ATOM 523 HH12 ARG 31 9.766 -20.778 26.440 1.00 11.12 ATOM 524 NH2 ARG 31 11.498 -22.374 27.031 1.00 35.10 ATOM 525 HH21 ARG 31 12.145 -23.090 27.289 1.00 21.44 ATOM 526 HH22 ARG 31 11.829 -21.508 26.664 1.00 14.15 ATOM 527 C ARG 31 7.797 -25.899 23.920 1.00 63.41 ATOM 528 O ARG 31 8.784 -25.516 23.288 1.00 32.30 ATOM 529 N GLY 32 6.959 -26.829 23.457 1.00 1.42 ATOM 530 HN GLY 32 6.202 -27.107 24.015 1.00 38.39 ATOM 531 CA GLY 32 7.152 -27.440 22.140 1.00 73.44 ATOM 532 HA1 GLY 32 7.349 -28.493 22.272 1.00 38.39 ATOM 533 HA2 GLY 32 8.007 -26.984 21.659 1.00 53.45 ATOM 534 C GLY 32 5.935 -27.278 21.233 1.00 72.14 ATOM 535 O GLY 32 5.078 -28.160 21.164 1.00 1.43 ATOM 536 N ILE 33 5.862 -26.152 20.529 1.00 65.33 ATOM 537 HN ILE 33 6.601 -25.510 20.584 1.00 38.39 ATOM 538 CA ILE 33 4.709 -25.842 19.670 1.00 72.23 ATOM 539 HA ILE 33 4.067 -26.713 19.644 1.00 13.20 ATOM 540 CB ILE 33 3.898 -24.658 20.267 1.00 64.51 ATOM 541 HB ILE 33 3.707 -24.882 21.308 1.00 71.40 ATOM 542 CG1 ILE 33 2.549 -24.491 19.546 1.00 25.30 ATOM 543 HG11 ILE 33 1.983 -25.408 19.643 1.00 38.39 ATOM 544 HG12 ILE 33 2.725 -24.292 18.499 1.00 23.54 ATOM 545 CG2 ILE 33 4.711 -23.362 20.216 1.00 53.31 ATOM 546 HG21 ILE 33 4.136 -22.554 20.646 1.00 60.14 ATOM 547 HG22 ILE 33 4.951 -23.125 19.190 1.00 20.32 ATOM 548 HG23 ILE 33 5.627 -23.488 20.778 1.00 74.33 ATOM 549 CD1 ILE 33 1.699 -23.365 20.093 1.00 4.25 ATOM 550 HD11 ILE 33 1.512 -23.532 21.144 1.00 51.24 ATOM 551 HD12 ILE 33 0.759 -23.334 19.562 1.00 45.54 ATOM 552 HD13 ILE 33 2.217 -22.426 19.964 1.00 62.42 ATOM 553 C ILE 33 5.149 -25.505 18.228 1.00 20.31 ATOM 554 O ILE 33 6.292 -25.105 17.996 1.00 71.33 ATOM 555 N ASN 34 4.240 -25.677 17.261 1.00 72.22 ATOM 556 HN ASN 34 3.353 -26.027 17.497 1.00 38.39 ATOM 557 CA ASN 34 4.529 -25.360 15.851 1.00 55.34 ATOM 558 HA ASN 34 5.325 -24.627 15.832 1.00 44.43 ATOM 559 CB ASN 34 4.997 -26.625 15.107 1.00 74.44 ATOM 560 HB1 ASN 34 4.180 -27.333 15.071 1.00 38.39 ATOM 561 HB2 ASN 34 5.819 -27.069 15.649 1.00 3.54 ATOM 562 CG ASN 34 5.458 -26.352 13.679 1.00 10.42 ATOM 563 OD1 ASN 34 4.980 -25.438 13.016 1.00 72.03 ATOM 564 ND2 ASN 34 6.386 -27.149 13.188 1.00 43.54 ATOM 565 HD21 ASN 34 6.730 -27.869 13.756 1.00 72.15 ATOM 566 HD22 ASN 34 6.691 -26.986 12.271 1.00 34.40 ATOM 567 C ASN 34 3.291 -24.756 15.160 1.00 54.14 ATOM 568 O ASN 34 2.430 -25.480 14.649 1.00 1.21 ATOM 569 N LEU 35 3.207 -23.427 15.149 1.00 10.32 ATOM 570 HN LEU 35 3.932 -22.903 15.550 1.00 38.39 ATOM 571 CA LEU 35 2.062 -22.722 14.555 1.00 55.03 ATOM 572 HA LEU 35 1.165 -23.103 15.022 1.00 21.42 ATOM 573 CB LEU 35 2.164 -21.217 14.837 1.00 12.33 ATOM 574 HB1 LEU 35 1.324 -20.726 14.365 1.00 38.39 ATOM 575 HB2 LEU 35 3.074 -20.848 14.381 1.00 12.24 ATOM 576 CG LEU 35 2.177 -20.824 16.325 1.00 2.43 ATOM 577 HG LEU 35 2.987 -21.344 16.818 1.00 41.54 ATOM 578 CD1 LEU 35 2.419 -19.326 16.484 1.00 72.11 ATOM 579 HD11 LEU 35 2.425 -19.072 17.534 1.00 74.12 ATOM 580 HD12 LEU 35 1.633 -18.775 15.985 1.00 4.50 ATOM 581 HD13 LEU 35 3.373 -19.066 16.047 1.00 41.14 ATOM 582 CD2 LEU 35 0.870 -21.233 17.007 1.00 30.53 ATOM 583 HD21 LEU 35 0.747 -22.304 16.938 1.00 61.25 ATOM 584 HD22 LEU 35 0.039 -20.743 16.521 1.00 61.43 ATOM 585 HD23 LEU 35 0.900 -20.942 18.047 1.00 52.12 ATOM 586 C LEU 35 1.965 -22.965 13.039 1.00 43.51 ATOM 587 O LEU 35 0.872 -22.981 12.470 1.00 53.13 ATOM 588 N ARG 36 3.113 -23.161 12.394 1.00 62.23 ATOM 589 HN ARG 36 3.952 -23.147 12.903 1.00 38.39 ATOM 590 CA ARG 36 3.162 -23.393 10.946 1.00 54.35 ATOM 591 HA ARG 36 2.655 -22.565 10.467 1.00 0.42 ATOM 592 CB ARG 36 4.629 -23.421 10.471 1.00 44.12 ATOM 593 HB1 ARG 36 4.985 -24.442 10.495 1.00 38.39 ATOM 594 HB2 ARG 36 5.225 -22.833 11.154 1.00 3.41 ATOM 595 CG ARG 36 4.851 -22.869 9.060 1.00 24.03 ATOM 596 HG1 ARG 36 5.911 -22.709 8.912 1.00 38.39 ATOM 597 HG2 ARG 36 4.334 -21.925 8.970 1.00 41.14 ATOM 598 CD ARG 36 4.342 -23.804 7.974 1.00 24.11 ATOM 599 HD1 ARG 36 4.486 -23.330 7.012 1.00 38.39 ATOM 600 HD2 ARG 36 3.287 -23.981 8.131 1.00 55.42 ATOM 601 NE ARG 36 5.046 -25.081 7.985 1.00 24.35 ATOM 602 HE ARG 36 5.571 -25.301 8.780 1.00 44.35 ATOM 603 CZ ARG 36 5.008 -25.946 7.012 1.00 35.13 ATOM 604 NH1 ARG 36 4.367 -25.684 5.915 1.00 53.00 ATOM 605 HH11 ARG 36 3.902 -24.807 5.799 1.00 42.13 ATOM 606 HH12 ARG 36 4.317 -26.373 5.197 1.00 22.22 ATOM 607 NH2 ARG 36 5.631 -27.075 7.129 1.00 44.14 ATOM 608 HH21 ARG 36 6.142 -27.277 7.962 1.00 44.35 ATOM 609 HH22 ARG 36 5.593 -27.741 6.386 1.00 42.23 ATOM 610 C ARG 36 2.428 -24.698 10.576 1.00 61.13 ATOM 611 O ARG 36 1.693 -24.749 9.589 1.00 45.22 ATOM 612 N LYS 37 2.620 -25.746 11.384 1.00 51.41 ATOM 613 HN LYS 37 3.261 -25.664 12.122 1.00 38.39 ATOM 614 CA LYS 37 1.910 -27.022 11.192 1.00 13.44 ATOM 615 HA LYS 37 2.129 -27.377 10.193 1.00 22.43 ATOM 616 CB LYS 37 2.406 -28.063 12.218 1.00 62.13 ATOM 617 HB1 LYS 37 2.011 -27.807 13.191 1.00 38.39 ATOM 618 HB2 LYS 37 3.486 -28.014 12.262 1.00 23.12 ATOM 619 CG LYS 37 2.012 -29.511 11.905 1.00 61.32 ATOM 620 HG1 LYS 37 2.710 -30.172 12.402 1.00 38.39 ATOM 621 HG2 LYS 37 2.083 -29.664 10.839 1.00 54.34 ATOM 622 CD LYS 37 0.591 -29.869 12.352 1.00 22.42 ATOM 623 HD1 LYS 37 0.344 -30.853 11.979 1.00 38.39 ATOM 624 HD2 LYS 37 -0.096 -29.147 11.938 1.00 1.12 ATOM 625 CE LYS 37 0.449 -29.862 13.872 1.00 42.05 ATOM 626 HE1 LYS 37 0.417 -28.838 14.217 1.00 38.39 ATOM 627 HE2 LYS 37 1.306 -30.357 14.305 1.00 53.30 ATOM 628 NZ LYS 37 -0.783 -30.563 14.322 1.00 32.12 ATOM 629 HZ1 LYS 37 -0.934 -30.418 15.342 1.00 73.51 ATOM 630 HZ2 LYS 37 -0.694 -31.587 14.146 1.00 60.12 ATOM 631 HZ3 LYS 37 -1.610 -30.212 13.806 1.00 32.14 ATOM 632 C LYS 37 0.394 -26.812 11.320 1.00 22.14 ATOM 633 O LYS 37 -0.396 -27.378 10.563 1.00 31.13 ATOM 634 N ILE 38 -0.002 -25.985 12.287 1.00 43.42 ATOM 635 HN ILE 38 0.672 -25.593 12.881 1.00 38.39 ATOM 636 CA ILE 38 -1.412 -25.635 12.478 1.00 22.15 ATOM 637 HA ILE 38 -1.966 -26.553 12.629 1.00 43.04 ATOM 638 CB ILE 38 -1.603 -24.734 13.729 1.00 74.13 ATOM 639 HB ILE 38 -1.044 -23.822 13.571 1.00 74.52 ATOM 640 CG1 ILE 38 -1.058 -25.436 14.987 1.00 22.52 ATOM 641 HG11 ILE 38 -1.201 -24.792 15.843 1.00 38.39 ATOM 642 HG12 ILE 38 -0.001 -25.620 14.858 1.00 25.22 ATOM 643 CG2 ILE 38 -3.075 -24.357 13.913 1.00 44.43 ATOM 644 HG21 ILE 38 -3.671 -25.254 14.015 1.00 53.44 ATOM 645 HG22 ILE 38 -3.415 -23.796 13.054 1.00 13.51 ATOM 646 HG23 ILE 38 -3.185 -23.752 14.802 1.00 1.44 ATOM 647 CD1 ILE 38 -1.722 -26.765 15.292 1.00 63.44 ATOM 648 HD11 ILE 38 -2.781 -26.614 15.440 1.00 63.11 ATOM 649 HD12 ILE 38 -1.290 -27.187 16.189 1.00 43.10 ATOM 650 HD13 ILE 38 -1.568 -27.443 14.466 1.00 63.51 ATOM 651 C ILE 38 -1.963 -24.917 11.235 1.00 71.31 ATOM 652 O ILE 38 -3.073 -25.198 10.783 1.00 55.22 ATOM 653 N ALA 39 -1.164 -24.003 10.681 1.00 22.02 ATOM 654 HN ALA 39 -0.309 -23.797 11.115 1.00 38.39 ATOM 655 CA ALA 39 -1.531 -23.281 9.458 1.00 1.04 ATOM 656 HA ALA 39 -2.430 -22.719 9.669 1.00 31.35 ATOM 657 CB ALA 39 -0.433 -22.287 9.086 1.00 63.42 ATOM 658 HB1 ALA 39 -0.744 -21.709 8.227 1.00 24.45 ATOM 659 HB2 ALA 39 0.475 -22.822 8.850 1.00 2.50 ATOM 660 HB3 ALA 39 -0.252 -21.623 9.919 1.00 21.04 ATOM 661 C ALA 39 -1.814 -24.237 8.282 1.00 22.13 ATOM 662 O ALA 39 -2.736 -24.009 7.497 1.00 64.32 ATOM 663 N GLU 40 -1.020 -25.305 8.166 1.00 3.32 ATOM 664 HN GLU 40 -0.277 -25.418 8.796 1.00 38.39 ATOM 665 CA GLU 40 -1.225 -26.312 7.110 1.00 41.24 ATOM 666 HA GLU 40 -1.221 -25.795 6.160 1.00 12.32 ATOM 667 CB GLU 40 -0.095 -27.353 7.114 1.00 51.40 ATOM 668 HB1 GLU 40 -0.302 -28.092 6.353 1.00 38.39 ATOM 669 HB2 GLU 40 -0.075 -27.840 8.077 1.00 62.21 ATOM 670 CG GLU 40 1.290 -26.777 6.849 1.00 71.04 ATOM 671 HG1 GLU 40 1.587 -26.177 7.698 1.00 38.39 ATOM 672 HG2 GLU 40 1.243 -26.152 5.968 1.00 53.43 ATOM 673 CD GLU 40 2.335 -27.862 6.628 1.00 44.01 ATOM 674 OE1 GLU 40 2.636 -28.613 7.582 1.00 25.11 ATOM 675 OE2 GLU 40 2.858 -27.973 5.494 1.00 73.43 ATOM 676 C GLU 40 -2.574 -27.033 7.271 1.00 73.03 ATOM 677 O GLU 40 -3.170 -27.487 6.290 1.00 43.53 ATOM 678 N LEU 41 -3.046 -27.136 8.512 1.00 54.32 ATOM 679 HN LEU 41 -2.525 -26.751 9.249 1.00 38.39 ATOM 680 CA LEU 41 -4.319 -27.804 8.812 1.00 53.13 ATOM 681 HA LEU 41 -4.375 -28.697 8.207 1.00 54.44 ATOM 682 CB LEU 41 -4.366 -28.204 10.294 1.00 42.43 ATOM 683 HB1 LEU 41 -5.304 -28.709 10.480 1.00 38.39 ATOM 684 HB2 LEU 41 -4.340 -27.301 10.888 1.00 3.43 ATOM 685 CG LEU 41 -3.226 -29.122 10.764 1.00 41.14 ATOM 686 HG LEU 41 -2.283 -28.619 10.601 1.00 32.21 ATOM 687 CD1 LEU 41 -3.345 -29.410 12.257 1.00 1.42 ATOM 688 HD11 LEU 41 -2.541 -30.066 12.563 1.00 53.34 ATOM 689 HD12 LEU 41 -4.294 -29.886 12.461 1.00 75.11 ATOM 690 HD13 LEU 41 -3.281 -28.484 12.810 1.00 61.12 ATOM 691 CD2 LEU 41 -3.210 -30.423 9.962 1.00 1.01 ATOM 692 HD21 LEU 41 -2.409 -31.055 10.316 1.00 3.54 ATOM 693 HD22 LEU 41 -3.056 -30.201 8.916 1.00 12.22 ATOM 694 HD23 LEU 41 -4.154 -30.936 10.085 1.00 23.31 ATOM 695 C LEU 41 -5.521 -26.909 8.474 1.00 12.03 ATOM 696 O LEU 41 -6.672 -27.328 8.599 1.00 24.31 ATOM 697 N MET 42 -5.243 -25.676 8.047 1.00 22.14 ATOM 698 HN MET 42 -4.305 -25.402 7.971 1.00 38.39 ATOM 699 CA MET 42 -6.293 -24.715 7.692 1.00 63.01 ATOM 700 HA MET 42 -7.234 -25.079 8.082 1.00 3.20 ATOM 701 CB MET 42 -5.986 -23.349 8.331 1.00 13.23 ATOM 702 HB1 MET 42 -6.841 -22.701 8.197 1.00 38.39 ATOM 703 HB2 MET 42 -5.133 -22.911 7.830 1.00 22.42 ATOM 704 CG MET 42 -5.672 -23.425 9.822 1.00 13.32 ATOM 705 HG1 MET 42 -4.855 -24.116 9.971 1.00 38.39 ATOM 706 HG2 MET 42 -6.546 -23.791 10.343 1.00 11.42 ATOM 707 SD MET 42 -5.210 -21.829 10.532 1.00 45.24 ATOM 708 CE MET 42 -6.738 -20.914 10.357 1.00 73.11 ATOM 709 HE1 MET 42 -6.623 -19.931 10.789 1.00 51.53 ATOM 710 HE2 MET 42 -7.533 -21.439 10.866 1.00 10.52 ATOM 711 HE3 MET 42 -6.982 -20.819 9.309 1.00 65.44 ATOM 712 C MET 42 -6.413 -24.563 6.162 1.00 13.14 ATOM 713 O MET 42 -5.693 -23.770 5.552 1.00 2.12 ATOM 714 N PRO 43 -7.318 -25.328 5.512 1.00 51.43 ATOM 715 CA PRO 43 -7.531 -25.245 4.050 1.00 34.52 ATOM 716 HA PRO 43 -6.596 -25.268 3.517 1.00 74.25 ATOM 717 CB PRO 43 -8.329 -26.523 3.753 1.00 21.01 ATOM 718 HB1 PRO 43 -7.648 -27.331 3.523 1.00 38.39 ATOM 719 HB2 PRO 43 -8.994 -26.359 2.916 1.00 11.35 ATOM 720 CG PRO 43 -9.085 -26.793 5.011 1.00 74.14 ATOM 721 HG1 PRO 43 -9.299 -27.851 5.095 1.00 38.39 ATOM 722 HG2 PRO 43 -10.005 -26.224 5.017 1.00 14.20 ATOM 723 CD PRO 43 -8.186 -26.349 6.138 1.00 21.22 ATOM 724 HD1 PRO 43 -7.598 -27.181 6.502 1.00 38.39 ATOM 725 HD2 PRO 43 -8.768 -25.922 6.942 1.00 54.22 ATOM 726 C PRO 43 -8.308 -23.987 3.627 1.00 73.02 ATOM 727 O PRO 43 -9.202 -24.038 2.781 1.00 50.13 ATOM 728 N GLY 44 -7.919 -22.849 4.187 1.00 5.31 ATOM 729 HN GLY 44 -7.144 -22.856 4.787 1.00 38.39 ATOM 730 CA GLY 44 -8.601 -21.596 3.921 1.00 34.34 ATOM 731 HA1 GLY 44 -9.635 -21.797 3.683 1.00 38.39 ATOM 732 HA2 GLY 44 -8.133 -21.115 3.074 1.00 22.24 ATOM 733 C GLY 44 -8.541 -20.659 5.115 1.00 43.41 ATOM 734 O GLY 44 -7.455 -20.297 5.565 1.00 55.31 ATOM 735 N ALA 45 -9.709 -20.291 5.633 1.00 2.41 ATOM 736 HN ALA 45 -10.528 -20.644 5.229 1.00 38.39 ATOM 737 CA ALA 45 -9.821 -19.406 6.803 1.00 0.15 ATOM 738 HA ALA 45 -10.876 -19.265 6.992 1.00 15.52 ATOM 739 CB ALA 45 -9.222 -20.078 8.035 1.00 75.11 ATOM 740 HB1 ALA 45 -8.157 -20.203 7.896 1.00 3.54 ATOM 741 HB2 ALA 45 -9.682 -21.045 8.177 1.00 52.14 ATOM 742 HB3 ALA 45 -9.401 -19.464 8.906 1.00 71.50 ATOM 743 C ALA 45 -9.180 -18.018 6.580 1.00 54.30 ATOM 744 O ALA 45 -8.003 -17.898 6.228 1.00 55.14 ATOM 745 N SER 46 -9.962 -16.967 6.807 1.00 20.23 ATOM 746 HN SER 46 -10.884 -17.118 7.101 1.00 38.39 ATOM 747 CA SER 46 -9.483 -15.588 6.648 1.00 4.11 ATOM 748 HA SER 46 -8.854 -15.546 5.770 1.00 31.40 ATOM 749 CB SER 46 -10.668 -14.631 6.465 1.00 2.54 ATOM 750 HB1 SER 46 -11.318 -15.008 5.688 1.00 38.39 ATOM 751 HB2 SER 46 -10.301 -13.655 6.185 1.00 11.01 ATOM 752 OG SER 46 -11.416 -14.512 7.669 1.00 74.42 ATOM 753 HG SER 46 -12.352 -14.387 7.461 1.00 42.01 ATOM 754 C SER 46 -8.672 -15.142 7.871 1.00 12.11 ATOM 755 O SER 46 -8.656 -15.825 8.898 1.00 5.54 ATOM 756 N GLY 47 -8.015 -13.985 7.764 1.00 0.35 ATOM 757 HN GLY 47 -8.017 -13.510 6.905 1.00 38.39 ATOM 758 CA GLY 47 -7.289 -13.419 8.903 1.00 32.13 ATOM 759 HA1 GLY 47 -6.893 -12.456 8.618 1.00 38.39 ATOM 760 HA2 GLY 47 -6.466 -14.074 9.153 1.00 34.22 ATOM 761 C GLY 47 -8.172 -13.241 10.138 1.00 5.14 ATOM 762 O GLY 47 -7.692 -13.291 11.272 1.00 35.14 ATOM 763 N ALA 48 -9.471 -13.041 9.912 1.00 14.34 ATOM 764 HN ALA 48 -9.785 -12.962 8.985 1.00 38.39 ATOM 765 CA ALA 48 -10.443 -12.932 11.005 1.00 3.12 ATOM 766 HA ALA 48 -10.026 -12.279 11.760 1.00 74.41 ATOM 767 CB ALA 48 -11.740 -12.308 10.501 1.00 41.33 ATOM 768 HB1 ALA 48 -11.527 -11.352 10.047 1.00 54.34 ATOM 769 HB2 ALA 48 -12.420 -12.168 11.330 1.00 23.14 ATOM 770 HB3 ALA 48 -12.197 -12.960 9.769 1.00 42.03 ATOM 771 C ALA 48 -10.724 -14.303 11.638 1.00 41.44 ATOM 772 O ALA 48 -10.842 -14.427 12.858 1.00 50.02 ATOM 773 N GLU 49 -10.822 -15.331 10.797 1.00 22.34 ATOM 774 HN GLU 49 -10.728 -15.168 9.834 1.00 38.39 ATOM 775 CA GLU 49 -11.072 -16.698 11.268 1.00 54.34 ATOM 776 HA GLU 49 -11.905 -16.656 11.957 1.00 14.40 ATOM 777 CB GLU 49 -11.460 -17.599 10.087 1.00 50.04 ATOM 778 HB1 GLU 49 -11.632 -18.603 10.451 1.00 38.39 ATOM 779 HB2 GLU 49 -10.646 -17.615 9.374 1.00 23.24 ATOM 780 CG GLU 49 -12.721 -17.122 9.373 1.00 12.42 ATOM 781 HG1 GLU 49 -12.552 -16.119 9.009 1.00 38.39 ATOM 782 HG2 GLU 49 -13.532 -17.105 10.087 1.00 50.41 ATOM 783 CD GLU 49 -13.129 -18.003 8.201 1.00 75.13 ATOM 784 OE1 GLU 49 -12.687 -17.744 7.062 1.00 24.11 ATOM 785 OE2 GLU 49 -13.908 -18.951 8.411 1.00 63.12 ATOM 786 C GLU 49 -9.856 -17.265 12.020 1.00 21.04 ATOM 787 O GLU 49 -10.001 -18.096 12.920 1.00 20.13 ATOM 788 N VAL 50 -8.660 -16.799 11.656 1.00 45.43 ATOM 789 HN VAL 50 -8.597 -16.220 10.866 1.00 38.39 ATOM 790 CA VAL 50 -7.435 -17.138 12.395 1.00 53.52 ATOM 791 HA VAL 50 -7.307 -18.213 12.356 1.00 74.11 ATOM 792 CB VAL 50 -6.187 -16.470 11.756 1.00 5.32 ATOM 793 HB VAL 50 -6.334 -15.399 11.767 1.00 65.30 ATOM 794 CG1 VAL 50 -4.922 -16.783 12.555 1.00 34.11 ATOM 795 HG11 VAL 50 -4.761 -17.852 12.569 1.00 71.02 ATOM 796 HG12 VAL 50 -5.034 -16.423 13.567 1.00 32.41 ATOM 797 HG13 VAL 50 -4.073 -16.298 12.093 1.00 53.42 ATOM 798 CG2 VAL 50 -6.020 -16.912 10.302 1.00 65.43 ATOM 799 HG21 VAL 50 -5.144 -16.441 9.879 1.00 33.43 ATOM 800 HG22 VAL 50 -6.891 -16.624 9.733 1.00 3.32 ATOM 801 HG23 VAL 50 -5.904 -17.986 10.262 1.00 4.35 ATOM 802 C VAL 50 -7.552 -16.701 13.870 1.00 22.40 ATOM 803 O VAL 50 -7.098 -17.398 14.784 1.00 21.05 ATOM 804 N LYS 51 -8.172 -15.540 14.087 1.00 64.35 ATOM 805 HN LYS 51 -8.425 -14.988 13.318 1.00 38.39 ATOM 806 CA LYS 51 -8.482 -15.058 15.439 1.00 12.23 ATOM 807 HA LYS 51 -7.551 -14.988 15.985 1.00 51.51 ATOM 808 CB LYS 51 -9.119 -13.654 15.349 1.00 53.15 ATOM 809 HB1 LYS 51 -9.993 -13.715 14.716 1.00 38.39 ATOM 810 HB2 LYS 51 -8.407 -12.988 14.885 1.00 43.22 ATOM 811 CG LYS 51 -9.539 -13.030 16.687 1.00 1.45 ATOM 812 HG1 LYS 51 -9.521 -11.953 16.587 1.00 38.39 ATOM 813 HG2 LYS 51 -8.830 -13.328 17.447 1.00 63.31 ATOM 814 CD LYS 51 -10.941 -13.464 17.128 1.00 55.55 ATOM 815 HD1 LYS 51 -11.166 -12.998 18.077 1.00 38.39 ATOM 816 HD2 LYS 51 -10.954 -14.537 17.245 1.00 2.24 ATOM 817 CE LYS 51 -12.012 -13.067 16.115 1.00 5.24 ATOM 818 HE1 LYS 51 -11.779 -13.523 15.163 1.00 38.39 ATOM 819 HE2 LYS 51 -12.010 -11.993 16.008 1.00 41.54 ATOM 820 NZ LYS 51 -13.370 -13.504 16.539 1.00 32.04 ATOM 821 HZ1 LYS 51 -13.413 -14.543 16.601 1.00 12.54 ATOM 822 HZ2 LYS 51 -14.082 -13.184 15.853 1.00 15.24 ATOM 823 HZ3 LYS 51 -13.605 -13.105 17.470 1.00 23.11 ATOM 824 C LYS 51 -9.407 -16.050 16.165 1.00 61.13 ATOM 825 O LYS 51 -9.252 -16.300 17.365 1.00 54.43 ATOM 826 N GLY 52 -10.360 -16.614 15.423 1.00 33.54 ATOM 827 HN GLY 52 -10.453 -16.345 14.484 1.00 38.39 ATOM 828 CA GLY 52 -11.261 -17.620 15.981 1.00 31.31 ATOM 829 HA1 GLY 52 -11.928 -17.958 15.201 1.00 38.39 ATOM 830 HA2 GLY 52 -11.849 -17.165 16.766 1.00 50.23 ATOM 831 C GLY 52 -10.518 -18.826 16.552 1.00 4.23 ATOM 832 O GLY 52 -10.797 -19.270 17.667 1.00 34.42 ATOM 833 N VAL 53 -9.558 -19.348 15.785 1.00 35.11 ATOM 834 HN VAL 53 -9.420 -18.982 14.883 1.00 38.39 ATOM 835 CA VAL 53 -8.713 -20.459 16.241 1.00 73.43 ATOM 836 HA VAL 53 -9.353 -21.315 16.417 1.00 21.24 ATOM 837 CB VAL 53 -7.666 -20.844 15.164 1.00 13.30 ATOM 838 HB VAL 53 -7.041 -19.980 14.978 1.00 74.21 ATOM 839 CG1 VAL 53 -6.766 -21.982 15.648 1.00 44.43 ATOM 840 HG11 VAL 53 -6.251 -21.677 16.548 1.00 42.52 ATOM 841 HG12 VAL 53 -6.039 -22.219 14.884 1.00 3.52 ATOM 842 HG13 VAL 53 -7.366 -22.857 15.856 1.00 61.42 ATOM 843 CG2 VAL 53 -8.359 -21.218 13.855 1.00 65.34 ATOM 844 HG21 VAL 53 -9.009 -22.066 14.018 1.00 75.24 ATOM 845 HG22 VAL 53 -7.617 -21.471 13.111 1.00 72.45 ATOM 846 HG23 VAL 53 -8.945 -20.380 13.506 1.00 3.31 ATOM 847 C VAL 53 -7.988 -20.104 17.550 1.00 33.34 ATOM 848 O VAL 53 -7.940 -20.903 18.488 1.00 73.14 ATOM 849 N CYS 54 -7.440 -18.890 17.604 1.00 1.21 ATOM 850 HN CYS 54 -7.494 -18.311 16.814 1.00 38.39 ATOM 851 CA CYS 54 -6.753 -18.398 18.806 1.00 32.03 ATOM 852 HA CYS 54 -5.969 -19.102 19.052 1.00 33.23 ATOM 853 CB CYS 54 -6.120 -17.026 18.530 1.00 1.32 ATOM 854 HB1 CYS 54 -5.586 -16.699 19.413 1.00 38.39 ATOM 855 HB2 CYS 54 -6.900 -16.314 18.304 1.00 5.42 ATOM 856 SG CYS 54 -4.951 -17.007 17.146 1.00 42.24 ATOM 857 HG CYS 54 -5.545 -17.565 16.098 1.00 62.32 ATOM 858 C CYS 54 -7.719 -18.295 20.000 1.00 41.33 ATOM 859 O CYS 54 -7.334 -18.527 21.147 1.00 11.22 ATOM 860 N THR 55 -8.975 -17.948 19.716 1.00 13.43 ATOM 861 HN THR 55 -9.219 -17.779 18.781 1.00 38.39 ATOM 862 CA THR 55 -10.009 -17.818 20.758 1.00 50.32 ATOM 863 HA THR 55 -9.621 -17.173 21.537 1.00 42.34 ATOM 864 CB THR 55 -11.307 -17.179 20.196 1.00 4.31 ATOM 865 HB THR 55 -11.721 -17.842 19.449 1.00 1.44 ATOM 866 OG1 THR 55 -11.024 -15.913 19.579 1.00 73.14 ATOM 867 HG1 THR 55 -10.166 -15.950 19.138 1.00 44.41 ATOM 868 CG2 THR 55 -12.351 -16.978 21.295 1.00 1.40 ATOM 869 HG21 THR 55 -11.950 -16.326 22.059 1.00 55.41 ATOM 870 HG22 THR 55 -12.605 -17.932 21.733 1.00 33.44 ATOM 871 HG23 THR 55 -13.239 -16.531 20.870 1.00 41.13 ATOM 872 C THR 55 -10.366 -19.181 21.366 1.00 51.41 ATOM 873 O THR 55 -10.336 -19.361 22.586 1.00 60.24 ATOM 874 N GLU 56 -10.697 -20.140 20.504 1.00 1.41 ATOM 875 HN GLU 56 -10.671 -19.945 19.542 1.00 38.39 ATOM 876 CA GLU 56 -11.104 -21.478 20.949 1.00 75.42 ATOM 877 HA GLU 56 -11.895 -21.348 21.674 1.00 52.33 ATOM 878 CB GLU 56 -11.653 -22.288 19.767 1.00 24.34 ATOM 879 HB1 GLU 56 -11.859 -23.296 20.102 1.00 38.39 ATOM 880 HB2 GLU 56 -10.901 -22.325 18.991 1.00 20.14 ATOM 881 CG GLU 56 -12.934 -21.710 19.166 1.00 22.42 ATOM 882 HG1 GLU 56 -13.266 -22.357 18.366 1.00 38.39 ATOM 883 HG2 GLU 56 -12.715 -20.730 18.763 1.00 61.41 ATOM 884 CD GLU 56 -14.060 -21.577 20.184 1.00 24.34 ATOM 885 OE1 GLU 56 -14.267 -22.518 20.978 1.00 40.22 ATOM 886 OE2 GLU 56 -14.754 -20.537 20.185 1.00 64.14 ATOM 887 C GLU 56 -9.954 -22.239 21.622 1.00 1.13 ATOM 888 O GLU 56 -10.165 -22.939 22.614 1.00 74.15 ATOM 889 N ALA 57 -8.740 -22.099 21.085 1.00 42.21 ATOM 890 HN ALA 57 -8.636 -21.549 20.279 1.00 38.39 ATOM 891 CA ALA 57 -7.553 -22.751 21.661 1.00 65.53 ATOM 892 HA ALA 57 -7.661 -23.820 21.520 1.00 1.53 ATOM 893 CB ALA 57 -6.295 -22.300 20.924 1.00 51.42 ATOM 894 HB1 ALA 57 -5.437 -22.826 21.318 1.00 51.51 ATOM 895 HB2 ALA 57 -6.158 -21.237 21.060 1.00 5.24 ATOM 896 HB3 ALA 57 -6.396 -22.517 19.870 1.00 54.32 ATOM 897 C ALA 57 -7.425 -22.461 23.166 1.00 50.42 ATOM 898 O ALA 57 -7.066 -23.338 23.955 1.00 1.11 ATOM 899 N GLY 58 -7.731 -21.222 23.555 1.00 22.55 ATOM 900 HN GLY 58 -7.967 -20.553 22.877 1.00 38.39 ATOM 901 CA GLY 58 -7.718 -20.852 24.964 1.00 1.10 ATOM 902 HA1 GLY 58 -7.843 -19.782 25.042 1.00 38.39 ATOM 903 HA2 GLY 58 -6.758 -21.120 25.386 1.00 13.03 ATOM 904 C GLY 58 -8.823 -21.537 25.767 1.00 31.33 ATOM 905 O GLY 58 -8.616 -21.925 26.915 1.00 50.32 ATOM 906 N MET 59 -9.999 -21.695 25.156 1.00 31.34 ATOM 907 HN MET 59 -10.101 -21.371 24.235 1.00 38.39 ATOM 908 CA MET 59 -11.141 -22.351 25.814 1.00 42.32 ATOM 909 HA MET 59 -11.362 -21.796 26.713 1.00 34.11 ATOM 910 CB MET 59 -12.376 -22.325 24.898 1.00 21.22 ATOM 911 HB1 MET 59 -13.179 -22.860 25.386 1.00 38.39 ATOM 912 HB2 MET 59 -12.133 -22.831 23.975 1.00 55.54 ATOM 913 CG MET 59 -12.886 -20.925 24.551 1.00 52.05 ATOM 914 HG1 MET 59 -13.358 -20.963 23.578 1.00 38.39 ATOM 915 HG2 MET 59 -12.045 -20.248 24.507 1.00 33.10 ATOM 916 SD MET 59 -14.084 -20.274 25.745 1.00 32.30 ATOM 917 CE MET 59 -13.094 -20.064 27.227 1.00 2.02 ATOM 918 HE1 MET 59 -12.737 -21.025 27.563 1.00 43.51 ATOM 919 HE2 MET 59 -13.699 -19.615 28.001 1.00 52.34 ATOM 920 HE3 MET 59 -12.253 -19.421 27.012 1.00 33.51 ATOM 921 C MET 59 -10.810 -23.802 26.204 1.00 51.51 ATOM 922 O MET 59 -11.149 -24.255 27.302 1.00 64.33 ATOM 923 N TYR 60 -10.143 -24.522 25.302 1.00 60.44 ATOM 924 HN TYR 60 -9.926 -24.114 24.434 1.00 38.39 ATOM 925 CA TYR 60 -9.716 -25.902 25.568 1.00 72.10 ATOM 926 HA TYR 60 -10.601 -26.486 25.784 1.00 23.51 ATOM 927 CB TYR 60 -9.016 -26.497 24.339 1.00 54.51 ATOM 928 HB1 TYR 60 -8.581 -27.450 24.610 1.00 38.39 ATOM 929 HB2 TYR 60 -8.225 -25.828 24.029 1.00 3.34 ATOM 930 CG TYR 60 -9.923 -26.728 23.144 1.00 14.31 ATOM 931 CD1 TYR 60 -9.866 -25.901 22.027 1.00 33.23 ATOM 932 HD1 TYR 60 -9.169 -25.074 22.020 1.00 54.02 ATOM 933 CD2 TYR 60 -10.828 -27.784 23.130 1.00 52.53 ATOM 934 HD2 TYR 60 -10.889 -28.435 23.990 1.00 52.31 ATOM 935 CE1 TYR 60 -10.682 -26.121 20.935 1.00 63.43 ATOM 936 HE1 TYR 60 -10.623 -25.468 20.077 1.00 72.31 ATOM 937 CE2 TYR 60 -11.648 -28.008 22.042 1.00 33.44 ATOM 938 HE2 TYR 60 -12.344 -28.834 22.053 1.00 64.45 ATOM 939 CZ TYR 60 -11.572 -27.175 20.947 1.00 60.14 ATOM 940 OH TYR 60 -12.383 -27.403 19.857 1.00 24.01 ATOM 941 HH TYR 60 -11.857 -27.341 19.049 1.00 42.32 ATOM 942 C TYR 60 -8.768 -25.971 26.779 1.00 52.14 ATOM 943 O TYR 60 -8.945 -26.797 27.679 1.00 44.15 ATOM 944 N ALA 61 -7.765 -25.095 26.792 1.00 22.11 ATOM 945 HN ALA 61 -7.666 -24.478 26.035 1.00 38.39 ATOM 946 CA ALA 61 -6.794 -25.036 27.889 1.00 45.32 ATOM 947 HA ALA 61 -6.345 -26.016 27.985 1.00 70.12 ATOM 948 CB ALA 61 -5.684 -24.045 27.548 1.00 5.12 ATOM 949 HB1 ALA 61 -4.944 -24.047 28.335 1.00 14.51 ATOM 950 HB2 ALA 61 -6.104 -23.053 27.453 1.00 31.30 ATOM 951 HB3 ALA 61 -5.218 -24.328 26.615 1.00 52.44 ATOM 952 C ALA 61 -7.457 -24.661 29.230 1.00 31.25 ATOM 953 O ALA 61 -7.251 -25.332 30.247 1.00 2.14 ATOM 954 N LEU 62 -8.265 -23.597 29.220 1.00 4.42 ATOM 955 HN LEU 62 -8.418 -23.130 28.371 1.00 38.39 ATOM 956 CA LEU 62 -8.925 -23.098 30.439 1.00 23.40 ATOM 957 HA LEU 62 -8.145 -22.800 31.125 1.00 50.15 ATOM 958 CB LEU 62 -9.794 -21.869 30.124 1.00 70.03 ATOM 959 HB1 LEU 62 -10.393 -21.644 30.996 1.00 38.39 ATOM 960 HB2 LEU 62 -10.458 -22.125 29.310 1.00 54.23 ATOM 961 CG LEU 62 -9.021 -20.596 29.734 1.00 52.22 ATOM 962 HG LEU 62 -8.445 -20.796 28.841 1.00 42.01 ATOM 963 CD1 LEU 62 -9.985 -19.453 29.416 1.00 63.45 ATOM 964 HD11 LEU 62 -10.604 -19.248 30.279 1.00 11.11 ATOM 965 HD12 LEU 62 -10.614 -19.733 28.582 1.00 55.24 ATOM 966 HD13 LEU 62 -9.423 -18.566 29.158 1.00 52.12 ATOM 967 CD2 LEU 62 -8.043 -20.196 30.841 1.00 72.41 ATOM 968 HD21 LEU 62 -8.587 -20.017 31.758 1.00 42.30 ATOM 969 HD22 LEU 62 -7.519 -19.296 30.554 1.00 4.14 ATOM 970 HD23 LEU 62 -7.329 -20.992 30.997 1.00 53.31 ATOM 971 C LEU 62 -9.780 -24.178 31.125 1.00 22.32 ATOM 972 O LEU 62 -9.677 -24.379 32.337 1.00 61.21 ATOM 973 N ARG 63 -10.615 -24.880 30.358 1.00 64.54 ATOM 974 HN ARG 63 -10.655 -24.695 29.394 1.00 38.39 ATOM 975 CA ARG 63 -11.474 -25.924 30.933 1.00 42.40 ATOM 976 HA ARG 63 -12.052 -25.467 31.725 1.00 44.52 ATOM 977 CB ARG 63 -12.443 -26.490 29.882 1.00 15.32 ATOM 978 HB1 ARG 63 -12.936 -25.664 29.388 1.00 38.39 ATOM 979 HB2 ARG 63 -13.190 -27.086 30.387 1.00 33.22 ATOM 980 CG ARG 63 -11.781 -27.359 28.814 1.00 64.42 ATOM 981 HG1 ARG 63 -11.184 -28.116 29.301 1.00 38.39 ATOM 982 HG2 ARG 63 -11.146 -26.739 28.199 1.00 22.14 ATOM 983 CD ARG 63 -12.815 -28.043 27.924 1.00 43.35 ATOM 984 HD1 ARG 63 -13.347 -27.285 27.365 1.00 38.39 ATOM 985 HD2 ARG 63 -13.513 -28.578 28.553 1.00 62.11 ATOM 986 NE ARG 63 -12.205 -28.985 26.982 1.00 22.21 ATOM 987 HE ARG 63 -11.301 -28.787 26.662 1.00 5.23 ATOM 988 CZ ARG 63 -12.798 -30.059 26.532 1.00 1.12 ATOM 989 NH1 ARG 63 -13.977 -30.386 26.952 1.00 21.24 ATOM 990 HH11 ARG 63 -14.441 -29.818 27.624 1.00 62.42 ATOM 991 HH12 ARG 63 -14.418 -31.215 26.609 1.00 1.00 ATOM 992 NH2 ARG 63 -12.200 -30.814 25.672 1.00 11.44 ATOM 993 HH21 ARG 63 -11.281 -30.580 25.360 1.00 11.21 ATOM 994 HH22 ARG 63 -12.667 -31.617 25.305 1.00 75.44 ATOM 995 C ARG 63 -10.633 -27.059 31.543 1.00 13.14 ATOM 996 O ARG 63 -11.046 -27.709 32.501 1.00 74.30 ATOM 997 N GLU 64 -9.439 -27.278 30.994 1.00 42.23 ATOM 998 HN GLU 64 -9.157 -26.730 30.231 1.00 38.39 ATOM 999 CA GLU 64 -8.531 -28.310 31.504 1.00 65.11 ATOM 1000 HA GLU 64 -9.133 -29.075 31.979 1.00 42.33 ATOM 1001 CB GLU 64 -7.748 -28.951 30.349 1.00 10.34 ATOM 1002 HB1 GLU 64 -7.009 -29.623 30.762 1.00 38.39 ATOM 1003 HB2 GLU 64 -7.244 -28.172 29.794 1.00 72.02 ATOM 1004 CG GLU 64 -8.623 -29.741 29.381 1.00 24.42 ATOM 1005 HG1 GLU 64 -9.232 -29.046 28.818 1.00 38.39 ATOM 1006 HG2 GLU 64 -9.265 -30.397 29.951 1.00 2.12 ATOM 1007 CD GLU 64 -7.811 -30.582 28.410 1.00 55.13 ATOM 1008 OE1 GLU 64 -7.722 -30.221 27.221 1.00 4.23 ATOM 1009 OE2 GLU 64 -7.240 -31.604 28.841 1.00 24.50 ATOM 1010 C GLU 64 -7.562 -27.741 32.553 1.00 41.25 ATOM 1011 O GLU 64 -6.545 -28.358 32.871 1.00 1.13 ATOM 1012 N ARG 65 -7.896 -26.560 33.085 1.00 5.21 ATOM 1013 HN ARG 65 -8.690 -26.101 32.739 1.00 38.39 ATOM 1014 CA ARG 65 -7.122 -25.912 34.159 1.00 32.35 ATOM 1015 HA ARG 65 -7.648 -25.005 34.424 1.00 42.34 ATOM 1016 CB ARG 65 -7.045 -26.811 35.412 1.00 63.32 ATOM 1017 HB1 ARG 65 -6.361 -26.360 36.118 1.00 38.39 ATOM 1018 HB2 ARG 65 -6.651 -27.775 35.121 1.00 51.11 ATOM 1019 CG ARG 65 -8.381 -27.042 36.130 1.00 40.22 ATOM 1020 HG1 ARG 65 -8.875 -26.087 36.257 1.00 38.39 ATOM 1021 HG2 ARG 65 -8.184 -27.470 37.102 1.00 32.04 ATOM 1022 CD ARG 65 -9.315 -27.982 35.365 1.00 63.12 ATOM 1023 HD1 ARG 65 -8.745 -28.834 35.021 1.00 38.39 ATOM 1024 HD2 ARG 65 -9.719 -27.454 34.513 1.00 52.13 ATOM 1025 NE ARG 65 -10.421 -28.456 36.196 1.00 52.02 ATOM 1026 HE ARG 65 -10.352 -28.311 37.161 1.00 63.02 ATOM 1027 CZ ARG 65 -11.468 -29.093 35.745 1.00 22.03 ATOM 1028 NH1 ARG 65 -11.654 -29.259 34.477 1.00 54.35 ATOM 1029 HH11 ARG 65 -10.999 -28.891 33.824 1.00 53.02 ATOM 1030 HH12 ARG 65 -12.449 -29.769 34.154 1.00 3.41 ATOM 1031 NH2 ARG 65 -12.350 -29.542 36.572 1.00 32.31 ATOM 1032 HH21 ARG 65 -12.229 -29.408 37.551 1.00 24.34 ATOM 1033 HH22 ARG 65 -13.156 -30.017 36.228 1.00 1.05 ATOM 1034 C ARG 65 -5.697 -25.521 33.710 1.00 20.44 ATOM 1035 O ARG 65 -4.874 -25.093 34.526 1.00 4.12 ATOM 1036 N ARG 66 -5.421 -25.641 32.411 1.00 31.23 ATOM 1037 HN ARG 66 -6.139 -25.902 31.796 1.00 38.39 ATOM 1038 CA ARG 66 -4.084 -25.370 31.867 1.00 61.43 ATOM 1039 HA ARG 66 -3.359 -25.597 32.639 1.00 32.13 ATOM 1040 CB ARG 66 -3.811 -26.278 30.657 1.00 35.13 ATOM 1041 HB1 ARG 66 -2.899 -25.953 30.176 1.00 38.39 ATOM 1042 HB2 ARG 66 -4.629 -26.181 29.957 1.00 30.11 ATOM 1043 CG ARG 66 -3.660 -27.757 31.013 1.00 15.12 ATOM 1044 HG1 ARG 66 -4.576 -28.102 31.474 1.00 38.39 ATOM 1045 HG2 ARG 66 -2.844 -27.866 31.714 1.00 71.52 ATOM 1046 CD ARG 66 -3.370 -28.617 29.783 1.00 75.43 ATOM 1047 HD1 ARG 66 -3.079 -29.605 30.113 1.00 38.39 ATOM 1048 HD2 ARG 66 -2.553 -28.173 29.232 1.00 72.10 ATOM 1049 NE ARG 66 -4.531 -28.740 28.898 1.00 45.14 ATOM 1050 HE ARG 66 -5.254 -29.329 29.188 1.00 13.45 ATOM 1051 CZ ARG 66 -4.647 -28.154 27.734 1.00 71.23 ATOM 1052 NH1 ARG 66 -3.740 -27.337 27.304 1.00 24.50 ATOM 1053 HH11 ARG 66 -2.940 -27.144 27.856 1.00 52.52 ATOM 1054 HH12 ARG 66 -3.848 -26.909 26.404 1.00 62.24 ATOM 1055 NH2 ARG 66 -5.685 -28.377 27.004 1.00 41.31 ATOM 1056 HH21 ARG 66 -6.399 -28.999 27.318 1.00 14.40 ATOM 1057 HH22 ARG 66 -5.773 -27.926 26.117 1.00 34.44 ATOM 1058 C ARG 66 -3.919 -23.897 31.459 1.00 64.32 ATOM 1059 O ARG 66 -4.614 -23.408 30.570 1.00 50.00 ATOM 1060 N VAL 67 -2.991 -23.200 32.112 1.00 60.24 ATOM 1061 HN VAL 67 -2.492 -23.634 32.838 1.00 38.39 ATOM 1062 CA VAL 67 -2.697 -21.799 31.782 1.00 32.03 ATOM 1063 HA VAL 67 -3.638 -21.265 31.736 1.00 62.11 ATOM 1064 CB VAL 67 -1.815 -21.135 32.875 1.00 73.54 ATOM 1065 HB VAL 67 -0.877 -21.673 32.925 1.00 71.42 ATOM 1066 CG1 VAL 67 -1.507 -19.678 32.527 1.00 11.32 ATOM 1067 HG11 VAL 67 -0.906 -19.238 33.311 1.00 51.44 ATOM 1068 HG12 VAL 67 -2.431 -19.126 32.430 1.00 41.11 ATOM 1069 HG13 VAL 67 -0.964 -19.637 31.594 1.00 54.40 ATOM 1070 CG2 VAL 67 -2.490 -21.231 34.242 1.00 35.31 ATOM 1071 HG21 VAL 67 -2.631 -22.271 34.502 1.00 50.32 ATOM 1072 HG22 VAL 67 -3.450 -20.737 34.208 1.00 51.32 ATOM 1073 HG23 VAL 67 -1.868 -20.756 34.988 1.00 3.21 ATOM 1074 C VAL 67 -1.996 -21.682 30.418 1.00 44.14 ATOM 1075 O VAL 67 -2.254 -20.751 29.651 1.00 52.31 ATOM 1076 N HIS 68 -1.110 -22.632 30.121 1.00 52.41 ATOM 1077 HN HIS 68 -0.941 -23.342 30.774 1.00 38.39 ATOM 1078 CA HIS 68 -0.381 -22.636 28.848 1.00 22.41 ATOM 1079 HA HIS 68 -0.301 -21.607 28.517 1.00 55.20 ATOM 1080 CB HIS 68 1.038 -23.197 29.037 1.00 71.03 ATOM 1081 HB1 HIS 68 1.553 -22.601 29.777 1.00 38.39 ATOM 1082 HB2 HIS 68 1.569 -23.128 28.101 1.00 71.14 ATOM 1083 CG HIS 68 1.087 -24.629 29.483 1.00 33.32 ATOM 1084 ND1 HIS 68 1.067 -25.005 30.805 1.00 71.14 ATOM 1085 HD1 HIS 68 1.048 -24.394 31.575 1.00 24.13 ATOM 1086 CD2 HIS 68 1.154 -25.782 28.773 1.00 43.00 ATOM 1087 HD2 HIS 68 1.188 -25.870 27.696 1.00 23.22 ATOM 1088 CE1 HIS 68 1.118 -26.317 30.893 1.00 52.31 ATOM 1089 HE1 HIS 68 1.104 -26.888 31.808 1.00 22.34 ATOM 1090 NE2 HIS 68 1.171 -26.814 29.675 1.00 4.02 ATOM 1091 HE2 HIS 68 1.390 -27.747 29.463 1.00 38.39 ATOM 1092 C HIS 68 -1.127 -23.437 27.765 1.00 31.42 ATOM 1093 O HIS 68 -1.453 -24.613 27.954 1.00 74.35 ATOM 1094 N VAL 69 -1.387 -22.793 26.633 1.00 34.24 ATOM 1095 HN VAL 69 -1.141 -21.848 26.559 1.00 38.39 ATOM 1096 CA VAL 69 -2.034 -23.451 25.493 1.00 20.31 ATOM 1097 HA VAL 69 -2.817 -24.091 25.881 1.00 11.22 ATOM 1098 CB VAL 69 -2.682 -22.409 24.545 1.00 31.35 ATOM 1099 HB VAL 69 -1.892 -21.809 24.114 1.00 72.00 ATOM 1100 CG1 VAL 69 -3.433 -23.090 23.400 1.00 44.45 ATOM 1101 HG11 VAL 69 -4.214 -23.720 23.800 1.00 14.41 ATOM 1102 HG12 VAL 69 -2.745 -23.694 22.825 1.00 64.34 ATOM 1103 HG13 VAL 69 -3.872 -22.339 22.756 1.00 13.44 ATOM 1104 CG2 VAL 69 -3.608 -21.476 25.327 1.00 3.30 ATOM 1105 HG21 VAL 69 -4.043 -20.751 24.654 1.00 44.04 ATOM 1106 HG22 VAL 69 -3.041 -20.961 26.090 1.00 24.21 ATOM 1107 HG23 VAL 69 -4.396 -22.052 25.792 1.00 72.35 ATOM 1108 C VAL 69 -1.023 -24.315 24.711 1.00 3.14 ATOM 1109 O VAL 69 0.144 -23.944 24.558 1.00 50.02 ATOM 1110 N THR 70 -1.471 -25.468 24.224 1.00 13.24 ATOM 1111 HN THR 70 -2.428 -25.674 24.295 1.00 38.39 ATOM 1112 CA THR 70 -0.577 -26.435 23.565 1.00 1.31 ATOM 1113 HA THR 70 0.441 -26.090 23.681 1.00 22.21 ATOM 1114 CB THR 70 -0.686 -27.843 24.204 1.00 65.24 ATOM 1115 HB THR 70 0.153 -28.441 23.873 1.00 0.22 ATOM 1116 OG1 THR 70 -1.903 -28.482 23.785 1.00 4.31 ATOM 1117 HG1 THR 70 -2.613 -28.270 24.408 1.00 70.12 ATOM 1118 CG2 THR 70 -0.649 -27.759 25.730 1.00 0.05 ATOM 1119 HG21 THR 70 0.262 -27.269 26.044 1.00 31.52 ATOM 1120 HG22 THR 70 -0.684 -28.754 26.149 1.00 71.14 ATOM 1121 HG23 THR 70 -1.501 -27.193 26.081 1.00 53.32 ATOM 1122 C THR 70 -0.881 -26.575 22.069 1.00 10.13 ATOM 1123 O THR 70 -1.862 -26.029 21.562 1.00 65.14 ATOM 1124 N GLN 71 -0.028 -27.325 21.373 1.00 35.10 ATOM 1125 HN GLN 71 0.764 -27.681 21.822 1.00 38.39 ATOM 1126 CA GLN 71 -0.228 -27.628 19.953 1.00 35.24 ATOM 1127 HA GLN 71 -0.210 -26.698 19.403 1.00 33.33 ATOM 1128 CB GLN 71 0.914 -28.531 19.456 1.00 21.10 ATOM 1129 HB1 GLN 71 0.860 -29.475 19.980 1.00 38.39 ATOM 1130 HB2 GLN 71 1.856 -28.058 19.692 1.00 52.53 ATOM 1131 CG GLN 71 0.884 -28.817 17.957 1.00 72.30 ATOM 1132 HG1 GLN 71 -0.119 -29.104 17.678 1.00 38.39 ATOM 1133 HG2 GLN 71 1.557 -29.636 17.748 1.00 22.23 ATOM 1134 CD GLN 71 1.299 -27.623 17.113 1.00 71.21 ATOM 1135 OE1 GLN 71 1.094 -26.475 17.483 1.00 45.54 ATOM 1136 NE2 GLN 71 1.903 -27.884 15.976 1.00 21.30 ATOM 1137 HE21 GLN 71 2.064 -28.819 15.741 1.00 41.22 ATOM 1138 HE22 GLN 71 2.164 -27.130 15.411 1.00 63.55 ATOM 1139 C GLN 71 -1.579 -28.327 19.721 1.00 22.42 ATOM 1140 O GLN 71 -2.254 -28.091 18.716 1.00 21.42 ATOM 1141 N GLU 72 -1.966 -29.178 20.675 1.00 51.32 ATOM 1142 HN GLU 72 -1.404 -29.281 21.473 1.00 38.39 ATOM 1143 CA GLU 72 -3.208 -29.954 20.584 1.00 72.41 ATOM 1144 HA GLU 72 -3.189 -30.503 19.654 1.00 73.54 ATOM 1145 CB GLU 72 -3.277 -30.953 21.751 1.00 50.42 ATOM 1146 HB1 GLU 72 -4.153 -31.577 21.628 1.00 38.39 ATOM 1147 HB2 GLU 72 -3.365 -30.404 22.678 1.00 53.44 ATOM 1148 CG GLU 72 -2.052 -31.862 21.847 1.00 24.02 ATOM 1149 HG1 GLU 72 -1.169 -31.242 21.929 1.00 38.39 ATOM 1150 HG2 GLU 72 -1.988 -32.452 20.944 1.00 50.23 ATOM 1151 CD GLU 72 -2.099 -32.803 23.043 1.00 33.51 ATOM 1152 OE1 GLU 72 -2.548 -33.958 22.883 1.00 22.01 ATOM 1153 OE2 GLU 72 -1.684 -32.394 24.150 1.00 62.40 ATOM 1154 C GLU 72 -4.441 -29.038 20.594 1.00 34.23 ATOM 1155 O GLU 72 -5.394 -29.245 19.838 1.00 72.42 ATOM 1156 N ASP 73 -4.405 -28.015 21.443 1.00 62.21 ATOM 1157 HN ASP 73 -3.614 -27.900 22.012 1.00 38.39 ATOM 1158 CA ASP 73 -5.512 -27.061 21.564 1.00 72.23 ATOM 1159 HA ASP 73 -6.407 -27.624 21.795 1.00 53.01 ATOM 1160 CB ASP 73 -5.236 -26.085 22.711 1.00 32.34 ATOM 1161 HB1 ASP 73 -6.061 -25.389 22.792 1.00 38.39 ATOM 1162 HB2 ASP 73 -4.330 -25.534 22.496 1.00 20.22 ATOM 1163 CG ASP 73 -5.070 -26.794 24.043 1.00 41.21 ATOM 1164 OD1 ASP 73 -3.971 -26.725 24.635 1.00 40.10 ATOM 1165 OD2 ASP 73 -6.033 -27.436 24.498 1.00 5.22 ATOM 1166 C ASP 73 -5.746 -26.285 20.256 1.00 63.11 ATOM 1167 O ASP 73 -6.888 -26.109 19.825 1.00 62.42 ATOM 1168 N PHE 74 -4.661 -25.825 19.627 1.00 60.21 ATOM 1169 HN PHE 74 -3.778 -25.988 20.024 1.00 38.39 ATOM 1170 CA PHE 74 -4.753 -25.075 18.366 1.00 71.11 ATOM 1171 HA PHE 74 -5.383 -24.215 18.551 1.00 71.51 ATOM 1172 CB PHE 74 -3.369 -24.573 17.923 1.00 72.31 ATOM 1173 HB1 PHE 74 -3.403 -24.317 16.872 1.00 38.39 ATOM 1174 HB2 PHE 74 -2.645 -25.362 18.070 1.00 10.10 ATOM 1175 CG PHE 74 -2.894 -23.357 18.680 1.00 13.21 ATOM 1176 CD1 PHE 74 -2.044 -23.480 19.770 1.00 4.50 ATOM 1177 HD1 PHE 74 -1.711 -24.462 20.077 1.00 4.22 ATOM 1178 CD2 PHE 74 -3.308 -22.086 18.301 1.00 12.10 ATOM 1179 HD2 PHE 74 -3.970 -21.974 17.454 1.00 53.41 ATOM 1180 CE1 PHE 74 -1.618 -22.363 20.462 1.00 34.23 ATOM 1181 HE1 PHE 74 -0.956 -22.473 21.310 1.00 44.52 ATOM 1182 CE2 PHE 74 -2.883 -20.967 18.990 1.00 20.43 ATOM 1183 HE2 PHE 74 -3.213 -19.985 18.683 1.00 51.14 ATOM 1184 CZ PHE 74 -2.038 -21.106 20.073 1.00 74.41 ATOM 1185 HZ PHE 74 -1.705 -20.232 20.615 1.00 53.50 ATOM 1186 C PHE 74 -5.397 -25.903 17.242 1.00 63.43 ATOM 1187 O PHE 74 -6.349 -25.453 16.604 1.00 44.31 ATOM 1188 N GLU 75 -4.886 -27.111 16.995 1.00 14.12 ATOM 1189 HN GLU 75 -4.130 -27.437 17.535 1.00 38.39 ATOM 1190 CA GLU 75 -5.438 -27.960 15.927 1.00 61.32 ATOM 1191 HA GLU 75 -5.444 -27.363 15.023 1.00 63.44 ATOM 1192 CB GLU 75 -4.553 -29.193 15.679 1.00 71.33 ATOM 1193 HB1 GLU 75 -3.611 -28.859 15.262 1.00 38.39 ATOM 1194 HB2 GLU 75 -5.044 -29.828 14.955 1.00 64.42 ATOM 1195 CG GLU 75 -4.256 -30.030 16.917 1.00 21.11 ATOM 1196 HG1 GLU 75 -5.191 -30.321 17.377 1.00 38.39 ATOM 1197 HG2 GLU 75 -3.685 -29.431 17.614 1.00 12.13 ATOM 1198 CD GLU 75 -3.459 -31.281 16.587 1.00 15.42 ATOM 1199 OE1 GLU 75 -2.217 -31.191 16.467 1.00 12.33 ATOM 1200 OE2 GLU 75 -4.073 -32.361 16.433 1.00 73.04 ATOM 1201 C GLU 75 -6.891 -28.376 16.223 1.00 22.13 ATOM 1202 O GLU 75 -7.717 -28.469 15.312 1.00 32.42 ATOM 1203 N MET 76 -7.208 -28.612 17.497 1.00 22.53 ATOM 1204 HN MET 76 -6.495 -28.623 18.173 1.00 38.39 ATOM 1205 CA MET 76 -8.595 -28.869 17.911 1.00 4.35 ATOM 1206 HA MET 76 -8.979 -29.668 17.292 1.00 43.42 ATOM 1207 CB MET 76 -8.648 -29.312 19.379 1.00 65.10 ATOM 1208 HB1 MET 76 -9.666 -29.230 19.733 1.00 38.39 ATOM 1209 HB2 MET 76 -8.019 -28.655 19.965 1.00 23.41 ATOM 1210 CG MET 76 -8.179 -30.744 19.599 1.00 31.44 ATOM 1211 HG1 MET 76 -8.233 -30.970 20.656 1.00 38.39 ATOM 1212 HG2 MET 76 -7.155 -30.830 19.266 1.00 72.43 ATOM 1213 SD MET 76 -9.188 -31.943 18.698 1.00 11.21 ATOM 1214 CE MET 76 -10.797 -31.670 19.444 1.00 65.03 ATOM 1215 HE1 MET 76 -11.517 -32.341 18.999 1.00 21.22 ATOM 1216 HE2 MET 76 -11.104 -30.649 19.275 1.00 21.03 ATOM 1217 HE3 MET 76 -10.739 -31.858 20.506 1.00 21.52 ATOM 1218 C MET 76 -9.476 -27.625 17.700 1.00 21.22 ATOM 1219 O MET 76 -10.666 -27.733 17.392 1.00 33.31 ATOM 1220 N ALA 77 -8.885 -26.448 17.884 1.00 32.51 ATOM 1221 HN ALA 77 -7.963 -26.427 18.219 1.00 38.39 ATOM 1222 CA ALA 77 -9.577 -25.183 17.621 1.00 72.31 ATOM 1223 HA ALA 77 -10.504 -25.192 18.180 1.00 53.30 ATOM 1224 CB ALA 77 -8.742 -24.008 18.116 1.00 42.31 ATOM 1225 HB1 ALA 77 -9.295 -23.089 17.977 1.00 71.52 ATOM 1226 HB2 ALA 77 -7.819 -23.959 17.558 1.00 72.40 ATOM 1227 HB3 ALA 77 -8.520 -24.138 19.166 1.00 72.24 ATOM 1228 C ALA 77 -9.902 -25.025 16.129 1.00 24.12 ATOM 1229 O ALA 77 -11.025 -24.677 15.767 1.00 41.41 ATOM 1230 N VAL 78 -8.919 -25.296 15.267 1.00 34.53 ATOM 1231 HN VAL 78 -8.032 -25.530 15.618 1.00 38.39 ATOM 1232 CA VAL 78 -9.120 -25.245 13.810 1.00 24.03 ATOM 1233 HA VAL 78 -9.328 -24.219 13.536 1.00 43.13 ATOM 1234 CB VAL 78 -7.851 -25.708 13.049 1.00 72.43 ATOM 1235 HB VAL 78 -7.631 -26.722 13.354 1.00 1.20 ATOM 1236 CG1 VAL 78 -8.087 -25.710 11.537 1.00 14.43 ATOM 1237 HG11 VAL 78 -8.901 -26.379 11.299 1.00 40.40 ATOM 1238 HG12 VAL 78 -7.191 -26.044 11.032 1.00 74.31 ATOM 1239 HG13 VAL 78 -8.334 -24.711 11.207 1.00 23.43 ATOM 1240 CG2 VAL 78 -6.648 -24.834 13.407 1.00 32.12 ATOM 1241 HG21 VAL 78 -6.835 -23.814 13.101 1.00 21.11 ATOM 1242 HG22 VAL 78 -5.768 -25.205 12.899 1.00 13.20 ATOM 1243 HG23 VAL 78 -6.482 -24.865 14.474 1.00 71.40 ATOM 1244 C VAL 78 -10.304 -26.127 13.382 1.00 14.12 ATOM 1245 O VAL 78 -11.192 -25.687 12.644 1.00 24.44 ATOM 1246 N ALA 79 -10.312 -27.369 13.863 1.00 54.30 ATOM 1247 HN ALA 79 -9.563 -27.664 14.427 1.00 38.39 ATOM 1248 CA ALA 79 -11.393 -28.315 13.564 1.00 4.40 ATOM 1249 HA ALA 79 -11.416 -28.461 12.492 1.00 2.43 ATOM 1250 CB ALA 79 -11.102 -29.661 14.216 1.00 14.33 ATOM 1251 HB1 ALA 79 -10.139 -30.024 13.885 1.00 64.12 ATOM 1252 HB2 ALA 79 -11.868 -30.370 13.937 1.00 62.22 ATOM 1253 HB3 ALA 79 -11.092 -29.547 15.290 1.00 41.42 ATOM 1254 C ALA 79 -12.767 -27.789 14.024 1.00 41.24 ATOM 1255 O ALA 79 -13.797 -28.125 13.438 1.00 31.12 ATOM 1256 N LYS 80 -12.776 -26.972 15.077 1.00 3.43 ATOM 1257 HN LYS 80 -11.928 -26.755 15.517 1.00 38.39 ATOM 1258 CA LYS 80 -14.022 -26.400 15.605 1.00 0.31 ATOM 1259 HA LYS 80 -14.793 -27.153 15.512 1.00 43.03 ATOM 1260 CB LYS 80 -13.857 -26.049 17.090 1.00 31.32 ATOM 1261 HB1 LYS 80 -13.099 -25.285 17.186 1.00 38.39 ATOM 1262 HB2 LYS 80 -13.531 -26.934 17.621 1.00 50.31 ATOM 1263 CG LYS 80 -15.138 -25.542 17.748 1.00 11.20 ATOM 1264 HG1 LYS 80 -15.915 -26.282 17.612 1.00 38.39 ATOM 1265 HG2 LYS 80 -15.434 -24.617 17.272 1.00 61.01 ATOM 1266 CD LYS 80 -14.952 -25.290 19.242 1.00 42.23 ATOM 1267 HD1 LYS 80 -14.196 -24.529 19.381 1.00 38.39 ATOM 1268 HD2 LYS 80 -14.629 -26.208 19.714 1.00 74.55 ATOM 1269 CE LYS 80 -16.246 -24.831 19.906 1.00 34.30 ATOM 1270 HE1 LYS 80 -16.996 -25.598 19.777 1.00 38.39 ATOM 1271 HE2 LYS 80 -16.581 -23.920 19.432 1.00 23.14 ATOM 1272 NZ LYS 80 -16.062 -24.579 21.360 1.00 62.33 ATOM 1273 HZ1 LYS 80 -15.359 -23.830 21.507 1.00 42.23 ATOM 1274 HZ2 LYS 80 -15.730 -25.444 21.832 1.00 34.02 ATOM 1275 HZ3 LYS 80 -16.963 -24.286 21.791 1.00 74.44 ATOM 1276 C LYS 80 -14.459 -25.155 14.810 1.00 61.35 ATOM 1277 O LYS 80 -15.630 -25.014 14.456 1.00 54.15 ATOM 1278 N VAL 81 -13.515 -24.257 14.531 1.00 21.44 ATOM 1279 HN VAL 81 -12.599 -24.419 14.839 1.00 38.39 ATOM 1280 CA VAL 81 -13.810 -23.029 13.778 1.00 60.35 ATOM 1281 HA VAL 81 -14.617 -22.519 14.288 1.00 73.03 ATOM 1282 CB VAL 81 -12.584 -22.077 13.740 1.00 5.34 ATOM 1283 HB VAL 81 -11.769 -22.590 13.246 1.00 3.54 ATOM 1284 CG1 VAL 81 -12.894 -20.808 12.943 1.00 51.45 ATOM 1285 HG11 VAL 81 -13.179 -21.074 11.934 1.00 0.54 ATOM 1286 HG12 VAL 81 -12.018 -20.175 12.911 1.00 73.21 ATOM 1287 HG13 VAL 81 -13.707 -20.271 13.415 1.00 24.24 ATOM 1288 CG2 VAL 81 -12.134 -21.729 15.159 1.00 45.24 ATOM 1289 HG21 VAL 81 -12.945 -21.248 15.688 1.00 10.31 ATOM 1290 HG22 VAL 81 -11.285 -21.061 15.117 1.00 3.23 ATOM 1291 HG23 VAL 81 -11.854 -22.633 15.679 1.00 74.42 ATOM 1292 C VAL 81 -14.256 -23.344 12.341 1.00 44.25 ATOM 1293 O VAL 81 -15.306 -22.877 11.888 1.00 22.43 ATOM 1294 N MET 82 -13.466 -24.151 11.633 1.00 52.22 ATOM 1295 HN MET 82 -12.641 -24.493 12.042 1.00 38.39 ATOM 1296 CA MET 82 -13.796 -24.535 10.254 1.00 43.21 ATOM 1297 HA MET 82 -14.191 -23.661 9.754 1.00 52.11 ATOM 1298 CB MET 82 -12.540 -25.006 9.507 1.00 23.00 ATOM 1299 HB1 MET 82 -12.803 -25.207 8.478 1.00 38.39 ATOM 1300 HB2 MET 82 -12.186 -25.921 9.961 1.00 41.25 ATOM 1301 CG MET 82 -11.397 -23.998 9.519 1.00 2.24 ATOM 1302 HG1 MET 82 -10.937 -24.003 10.497 1.00 38.39 ATOM 1303 HG2 MET 82 -11.795 -23.016 9.316 1.00 52.51 ATOM 1304 SD MET 82 -10.132 -24.366 8.288 1.00 14.13 ATOM 1305 CE MET 82 -11.051 -24.095 6.772 1.00 51.12 ATOM 1306 HE1 MET 82 -10.412 -24.284 5.922 1.00 11.10 ATOM 1307 HE2 MET 82 -11.397 -23.072 6.739 1.00 23.13 ATOM 1308 HE3 MET 82 -11.898 -24.763 6.742 1.00 5.43 ATOM 1309 C MET 82 -14.865 -25.639 10.220 1.00 74.24 ATOM 1310 O MET 82 -15.406 -25.954 9.161 1.00 2.35 ATOM 1311 N GLN 83 -15.160 -26.217 11.388 1.00 11.31 ATOM 1312 HN GLN 83 -14.709 -25.894 12.196 1.00 38.39 ATOM 1313 CA GLN 83 -16.135 -27.312 11.511 1.00 52.32 ATOM 1314 HA GLN 83 -16.088 -27.661 12.534 1.00 63.24 ATOM 1315 CB GLN 83 -17.563 -26.810 11.235 1.00 33.45 ATOM 1316 HB1 GLN 83 -18.236 -27.656 11.220 1.00 38.39 ATOM 1317 HB2 GLN 83 -17.583 -26.328 10.267 1.00 12.34 ATOM 1318 CG GLN 83 -18.070 -25.816 12.273 1.00 40.43 ATOM 1319 HG1 GLN 83 -17.395 -24.970 12.303 1.00 38.39 ATOM 1320 HG2 GLN 83 -18.080 -26.298 13.240 1.00 14.31 ATOM 1321 CD GLN 83 -19.470 -25.310 11.966 1.00 74.11 ATOM 1322 OE1 GLN 83 -19.643 -24.306 11.284 1.00 12.20 ATOM 1323 NE2 GLN 83 -20.478 -26.003 12.460 1.00 71.41 ATOM 1324 HE21 GLN 83 -20.278 -26.799 12.992 1.00 54.43 ATOM 1325 HE22 GLN 83 -21.387 -25.691 12.271 1.00 20.14 ATOM 1326 C GLN 83 -15.784 -28.492 10.591 1.00 12.34 ATOM 1327 O GLN 83 -16.461 -28.753 9.597 1.00 73.41 ATOM 1328 N LYS 84 -14.704 -29.193 10.927 1.00 71.30 ATOM 1329 HN LYS 84 -14.203 -28.932 11.728 1.00 38.39 ATOM 1330 CA LYS 84 -14.241 -30.339 10.138 1.00 34.45 ATOM 1331 HA LYS 84 -14.324 -30.063 9.095 1.00 42.13 ATOM 1332 CB LYS 84 -12.761 -30.634 10.445 1.00 5.35 ATOM 1333 HB1 LYS 84 -12.570 -31.684 10.265 1.00 38.39 ATOM 1334 HB2 LYS 84 -12.579 -30.425 11.491 1.00 64.40 ATOM 1335 CG LYS 84 -11.768 -29.811 9.611 1.00 50.34 ATOM 1336 HG1 LYS 84 -10.981 -29.451 10.261 1.00 38.39 ATOM 1337 HG2 LYS 84 -12.286 -28.968 9.176 1.00 52.31 ATOM 1338 CD LYS 84 -11.137 -30.639 8.482 1.00 53.20 ATOM 1339 HD1 LYS 84 -10.570 -31.449 8.921 1.00 38.39 ATOM 1340 HD2 LYS 84 -10.472 -30.005 7.915 1.00 72.30 ATOM 1341 CE LYS 84 -12.180 -31.225 7.532 1.00 64.42 ATOM 1342 HE1 LYS 84 -12.599 -30.425 6.937 1.00 38.39 ATOM 1343 HE2 LYS 84 -12.965 -31.685 8.114 1.00 60.30 ATOM 1344 NZ LYS 84 -11.598 -32.252 6.621 1.00 42.24 ATOM 1345 HZ1 LYS 84 -11.198 -33.037 7.177 1.00 52.52 ATOM 1346 HZ2 LYS 84 -10.840 -31.837 6.043 1.00 23.22 ATOM 1347 HZ3 LYS 84 -12.336 -32.631 5.989 1.00 24.12 ATOM 1348 C LYS 84 -15.104 -31.592 10.368 1.00 74.33 ATOM 1349 O LYS 84 -14.757 -32.473 11.158 1.00 41.21 ATOM 1350 N ASP 85 -16.241 -31.644 9.684 1.00 24.11 ATOM 1351 HN ASP 85 -16.515 -30.855 9.163 1.00 38.39 ATOM 1352 CA ASP 85 -17.116 -32.819 9.701 1.00 60.12 ATOM 1353 HA ASP 85 -16.987 -33.321 10.651 1.00 34.04 ATOM 1354 CB ASP 85 -18.578 -32.373 9.568 1.00 23.14 ATOM 1355 HB1 ASP 85 -18.817 -31.701 10.382 1.00 38.39 ATOM 1356 HB2 ASP 85 -19.221 -33.241 9.629 1.00 21.22 ATOM 1357 CG ASP 85 -18.855 -31.654 8.256 1.00 14.50 ATOM 1358 OD1 ASP 85 -19.519 -32.241 7.380 1.00 15.03 ATOM 1359 OD2 ASP 85 -18.399 -30.503 8.092 1.00 34.55 ATOM 1360 C ASP 85 -16.744 -33.794 8.568 1.00 4.15 ATOM 1361 O ASP 85 -16.926 -35.009 8.682 1.00 42.32 ATOM 1362 N SER 86 -16.213 -33.243 7.475 1.00 14.34 ATOM 1363 HN SER 86 -16.101 -32.269 7.447 1.00 38.39 ATOM 1364 HA SER 86 -15.878 -35.088 6.578 1.00 54.12 ATOM 1365 CB SER 86 -16.719 -33.764 5.118 1.00 71.11 ATOM 1366 HB1 SER 86 -16.682 -32.712 4.875 1.00 38.39 ATOM 1367 HB2 SER 86 -17.731 -34.035 5.380 1.00 12.34 ATOM 1368 OG SER 86 -16.330 -34.511 3.973 1.00 34.32 ATOM 1369 HG SER 86 -16.828 -35.340 3.948 1.00 72.32 ATOM 1370 CA SER 86 -15.794 -34.042 6.311 1.00 53.51 ATOM 1371 C SER 86 -14.330 -33.748 5.931 1.00 33.42 ATOM 1372 OT1 SER 86 -13.435 -34.514 6.350 1.00 38.39 ATOM 1373 OT2 SER 86 -14.071 -32.738 5.238 1.00 38.39 ATOM 1374 OH2 TIP3 1 -22.984 -33.583 9.333 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -23.552 -34.003 8.662 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -22.080 -33.914 9.116 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.930 -30.114 7.174 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.718 -29.164 7.307 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.879 -30.187 7.447 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -12.602 -41.663 6.674 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -12.002 -40.930 6.394 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -12.386 -42.382 6.077 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.649 -40.659 1.736 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.701 -40.382 1.689 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.850 -40.966 0.825 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -16.995 -40.194 1.869 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -16.747 -40.304 2.810 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.217 -39.761 1.467 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -21.917 -39.408 5.065 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -22.588 -40.098 5.049 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -21.109 -39.865 5.412 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -14.660 -40.235 7.691 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -14.001 -40.825 7.254 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -14.408 -40.260 8.632 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.087 -35.861 1.074 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -18.052 -36.076 1.112 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.723 -36.262 1.893 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -20.765 -34.535 8.141 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -20.204 -35.334 8.109 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -20.190 -33.817 7.773 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.519 -40.540 4.532 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.725 -40.292 5.455 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.133 -41.275 4.342 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -22.123 -31.313 7.757 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -22.421 -32.064 8.289 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -21.233 -31.585 7.438 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -14.926 -30.297 4.676 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -14.539 -31.186 4.861 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -15.401 -30.072 5.503 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -19.955 -37.603 -1.344 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -19.139 -37.658 -1.873 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -20.401 -38.442 -1.509 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -21.475 -33.021 4.675 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -22.264 -33.304 5.163 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -21.188 -33.829 4.198 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -23.047 -34.648 6.629 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -23.090 -35.621 6.554 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -22.175 -34.485 7.037 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -23.354 -32.335 13.951 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -22.932 -32.276 14.817 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -23.845 -31.493 13.867 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -17.332 -32.776 -2.890 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.398 -33.084 -1.961 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -18.211 -32.920 -3.251 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -19.369 -24.446 1.961 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.246 -24.633 1.609 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.122 -25.272 2.441 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -24.893 -31.499 9.410 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -24.261 -32.216 9.593 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -24.625 -31.162 8.546 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -15.522 -31.435 0.026 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -15.261 -31.634 0.953 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -16.225 -32.085 -0.162 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -13.712 -40.870 10.289 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -13.426 -41.769 10.093 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -14.681 -40.960 10.480 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -17.087 -37.185 7.100 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -16.231 -37.363 6.661 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -16.899 -36.431 7.701 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -10.573 -29.098 -3.728 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -11.480 -29.147 -3.346 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -10.696 -29.334 -4.654 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.145 -40.029 -3.077 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.346 -40.060 -4.016 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -18.465 -39.327 -2.999 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.565 -39.007 11.538 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -21.219 -38.305 11.548 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.750 -38.581 11.883 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -19.705 -41.529 -0.868 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -19.512 -40.953 -1.640 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -19.525 -42.416 -1.187 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -18.659 -42.195 3.797 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -18.715 -43.103 3.482 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -19.086 -41.664 3.083 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.358 -39.969 7.095 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.426 -39.014 7.299 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -16.498 -40.234 7.482 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -19.744 -40.776 5.894 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.350 -41.376 5.232 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.986 -40.508 6.454 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -19.725 -36.447 1.088 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -19.916 -36.774 0.178 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.142 -37.121 1.675 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.561 -37.788 -2.842 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -17.357 -37.167 -3.550 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -16.871 -37.609 -2.160 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -17.486 -33.477 -0.232 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.215 -34.312 0.214 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -18.275 -33.199 0.249 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -19.633 -34.970 13.381 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -20.457 -34.858 12.869 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -19.256 -34.076 13.416 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.657 -37.993 4.096 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -12.712 -38.038 3.123 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.302 -37.097 4.271 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.261 -29.219 -3.132 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.873 -29.994 -3.074 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.807 -28.517 -3.506 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -20.826 -35.340 3.371 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -20.442 -35.429 2.482 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -21.142 -36.229 3.581 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -20.854 -38.332 2.724 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -20.489 -39.168 2.364 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -21.288 -38.603 3.558 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -19.661 -30.953 4.968 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.347 -31.588 4.661 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.422 -31.286 5.865 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -15.141 -31.116 -2.660 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.863 -31.677 -3.017 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -15.234 -31.203 -1.689 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.147 -32.510 2.511 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -15.722 -33.143 2.989 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -14.748 -31.975 3.217 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -18.329 -42.325 12.027 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -18.378 -42.891 12.798 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -19.270 -42.123 11.818 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -17.297 -38.461 10.057 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -16.462 -37.969 10.125 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -17.811 -38.166 10.832 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -16.365 -41.023 10.618 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -16.849 -40.243 10.277 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -17.060 -41.559 11.065 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -25.775 -29.802 11.358 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -25.717 -30.336 12.158 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -25.551 -30.429 10.632 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -19.903 -32.033 12.799 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -20.035 -31.197 12.303 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -20.659 -32.592 12.531 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -19.634 -37.192 8.134 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -18.799 -37.169 7.618 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -19.438 -37.792 8.868 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -21.930 -33.775 12.119 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -22.401 -33.735 11.267 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -22.549 -33.349 12.758 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.432 -37.524 12.437 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -17.571 -37.756 12.849 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.667 -36.666 12.840 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -20.923 -41.711 11.555 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -21.476 -41.847 10.783 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -20.808 -40.734 11.600 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -12.718 -37.096 1.449 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -11.838 -36.689 1.304 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.273 -36.350 1.772 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -16.149 -37.261 3.263 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -15.807 -37.866 2.572 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -16.104 -37.787 4.079 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -15.712 -36.844 -1.061 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -14.971 -36.233 -1.151 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -16.252 -36.461 -0.331 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -12.051 -35.594 9.734 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -12.703 -35.997 9.120 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -12.592 -35.304 10.501 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -15.007 -38.549 1.035 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -15.277 -38.216 0.158 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -14.075 -38.255 1.125 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -13.930 -36.577 8.064 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.154 -37.262 7.404 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -13.752 -35.771 7.517 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -22.217 -37.299 6.863 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -22.108 -37.991 6.182 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -21.358 -37.283 7.327 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -12.536 -25.757 3.094 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -12.528 -26.353 2.322 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -12.968 -26.284 3.797 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -21.773 -28.617 7.228 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -21.218 -28.464 8.013 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -22.032 -29.561 7.301 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -24.567 -23.228 8.752 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -24.092 -22.951 7.963 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -24.422 -22.499 9.385 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -18.229 -28.062 6.640 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -18.152 -28.328 5.696 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -18.446 -28.898 7.104 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -19.806 -28.535 9.222 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -19.219 -27.825 8.934 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -19.372 -29.355 8.880 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -8.422 -30.451 -2.520 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -8.333 -31.198 -3.114 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -9.179 -29.946 -2.877 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -14.207 -29.201 20.397 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -13.509 -28.549 20.155 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -14.622 -29.437 19.535 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -15.773 -26.459 26.833 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -16.514 -25.962 27.234 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -15.911 -26.360 25.880 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.405 -27.251 22.008 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -14.773 -27.925 21.699 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -16.261 -27.538 21.624 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -17.540 -28.006 20.401 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -17.516 -28.077 19.428 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -18.488 -28.079 20.620 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -19.943 -35.781 16.076 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -20.705 -36.352 15.978 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -19.744 -35.487 15.170 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -11.068 -34.414 26.936 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -10.711 -34.628 26.051 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -10.270 -34.291 27.485 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -19.139 -31.434 29.096 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -18.533 -31.871 28.488 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -19.122 -30.492 28.819 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -19.876 -30.455 21.216 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -19.803 -30.971 20.407 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.141 -29.562 20.910 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -20.110 -29.140 15.649 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -19.528 -28.661 16.252 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.507 -29.528 14.993 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.282 -25.870 16.827 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -19.110 -24.950 16.550 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -20.252 -25.965 16.734 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -20.330 -27.883 20.363 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -20.257 -26.917 20.534 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -21.003 -27.945 19.647 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -16.619 -32.941 29.910 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -16.260 -32.042 30.097 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -17.543 -32.887 30.185 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.816 -38.396 12.958 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -15.537 -39.318 12.996 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.363 -38.041 12.169 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -13.987 -32.089 24.012 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -14.239 -32.945 23.655 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -14.492 -31.443 23.467 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -18.370 -29.718 23.381 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -18.851 -30.093 22.608 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -19.005 -29.099 23.776 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -17.657 -27.979 17.552 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.234 -27.190 17.428 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -17.213 -28.090 16.681 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -20.386 -28.514 25.069 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -20.714 -28.149 25.930 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -20.556 -29.462 25.137 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -15.387 -29.612 17.989 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.196 -29.070 18.023 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -15.394 -29.989 17.103 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -15.501 -30.306 22.583 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -16.410 -29.963 22.513 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -15.057 -29.981 21.768 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -25.005 -27.740 19.187 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -24.969 -26.985 19.826 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -25.599 -28.373 19.603 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -16.412 -29.904 25.297 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -15.665 -29.993 24.684 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -17.197 -29.898 24.709 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -18.220 -29.963 13.681 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -18.771 -29.607 12.949 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.409 -30.920 13.670 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.382 -28.655 15.204 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -17.025 -29.140 14.638 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.596 -28.566 14.647 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -24.333 -29.756 14.259 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -23.812 -29.738 15.098 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -24.811 -28.900 14.258 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -22.699 -29.612 16.430 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -21.790 -29.528 16.062 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -22.652 -29.138 17.278 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -22.683 -28.645 12.332 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -23.168 -29.126 13.030 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -23.375 -28.135 11.870 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -22.272 -27.704 18.460 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -22.155 -27.016 17.775 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -23.228 -27.674 18.671 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -20.811 -30.396 31.035 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -21.499 -31.011 31.305 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -20.262 -30.909 30.405 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -20.155 -29.449 11.816 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -21.075 -29.187 12.064 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -20.069 -29.153 10.883 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -16.249 -28.934 27.840 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -16.375 -29.379 26.962 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -16.008 -28.006 27.601 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.814 -34.902 11.682 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -13.567 -35.023 12.629 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.181 -33.993 11.642 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -15.966 -30.330 30.228 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -16.113 -29.761 29.446 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -16.465 -29.886 30.947 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.121 -35.701 14.208 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -13.818 -36.200 14.649 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -12.650 -35.240 14.947 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -11.228 -35.112 18.979 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -11.091 -35.991 19.380 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -10.477 -34.590 19.291 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -14.752 -37.214 10.628 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -14.581 -37.055 9.672 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -14.562 -36.343 11.051 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -12.345 -38.620 11.173 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -12.640 -39.508 10.882 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -13.109 -38.047 10.987 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -14.919 -32.876 27.702 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -15.628 -32.967 28.367 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -14.239 -33.512 27.993 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -11.064 -32.430 29.073 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -11.344 -32.425 28.144 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -10.218 -32.922 29.061 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -8.758 -33.768 28.274 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -8.169 -34.445 27.847 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -8.161 -32.992 28.416 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.889 -28.762 28.618 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.916 -28.440 29.548 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.949 -28.670 28.358 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.748 -24.052 25.477 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -21.021 -24.881 25.016 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -20.755 -24.289 26.419 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -18.460 -26.352 25.280 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.397 -26.067 26.215 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -18.997 -27.161 25.313 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -13.521 -30.988 38.752 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -13.489 -31.918 38.449 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -13.023 -30.997 39.598 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -15.045 -29.990 36.659 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -15.374 -30.856 36.351 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.727 -30.167 37.568 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.695 -31.787 33.868 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -11.762 -31.968 33.639 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -13.104 -32.675 33.918 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -15.281 -27.190 32.411 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -14.630 -27.804 31.997 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -15.034 -27.194 33.367 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -14.713 -34.545 31.216 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.476 -34.076 30.824 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.113 -34.694 30.459 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.489 -31.190 33.568 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -15.613 -31.665 34.408 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.527 -31.218 33.421 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -15.079 -32.711 35.874 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -14.835 -33.329 35.153 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.499 -32.975 36.617 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -13.761 -29.205 31.424 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -14.387 -29.847 31.039 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -12.906 -29.687 31.446 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.064 -29.268 32.533 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -16.641 -30.038 32.989 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -16.456 -28.523 32.714 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -12.999 -34.452 28.978 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.420 -33.755 29.337 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -12.494 -34.812 28.221 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -9.603 -25.838 43.687 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -9.233 -26.743 43.766 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -10.135 -25.730 44.482 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -13.240 -33.568 37.768 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -12.260 -33.537 37.731 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -13.432 -34.469 38.078 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -12.395 -36.250 38.771 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -12.456 -36.427 39.715 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -12.451 -37.140 38.355 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -11.663 -31.112 40.772 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -11.078 -31.853 41.019 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -11.361 -30.372 41.345 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.974 -34.249 33.840 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.534 -35.099 33.933 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -14.327 -34.262 32.916 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -10.818 -26.687 40.645 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -11.269 -26.613 39.772 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -10.541 -25.771 40.848 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -14.580 -27.659 34.997 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -14.805 -28.388 35.609 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -14.147 -26.993 35.564 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.576 -12.223 -15.821 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -14.755 -11.691 -15.666 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.400 -13.062 -15.378 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -18.065 -11.348 -13.542 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -18.524 -10.535 -13.781 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -17.998 -11.308 -12.558 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -15.778 -19.102 -12.925 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.862 -19.399 -12.785 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -16.298 -19.609 -12.267 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -10.642 -20.855 -10.075 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -10.601 -20.687 -9.108 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -10.675 -21.816 -10.145 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -17.906 -10.606 -18.879 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -17.733 -11.571 -18.846 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -17.750 -10.309 -17.964 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -13.557 -10.502 -15.438 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -13.794 -9.557 -15.406 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -12.693 -10.519 -15.896 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.133 -9.214 -18.698 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -15.692 -9.239 -19.505 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.693 -9.616 -18.009 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.865 -13.895 -12.497 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.403 -14.765 -12.461 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -16.629 -14.057 -13.086 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -17.494 -11.259 -10.910 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -16.789 -10.819 -10.380 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.054 -11.697 -10.237 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.016 -13.082 -18.017 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -17.348 -13.931 -17.689 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.446 -12.754 -17.291 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.589 -5.817 -14.828 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.419 -5.335 -14.840 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -18.764 -6.613 -15.378 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -18.026 -16.004 -7.956 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.676 -15.498 -8.731 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -18.029 -16.921 -8.258 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -19.075 -19.925 -9.110 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.017 -20.007 -8.128 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -20.013 -19.803 -9.279 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -18.026 -8.064 -6.446 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -17.825 -7.815 -5.523 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -18.820 -7.557 -6.659 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -18.428 -12.476 -8.662 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -18.960 -12.992 -8.027 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -17.954 -11.824 -8.103 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -17.054 -8.801 -20.705 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -17.542 -9.459 -20.156 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -17.504 -8.824 -21.557 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -14.713 -15.014 -18.024 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.223 -14.674 -18.770 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -15.359 -15.039 -17.283 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -18.006 -13.989 -14.200 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -18.016 -13.003 -14.142 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.893 -14.249 -13.924 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -13.044 -8.275 -6.989 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -12.153 -8.638 -7.187 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -13.595 -9.074 -6.800 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.041 -20.527 -10.833 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -17.775 -20.195 -10.261 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -17.186 -21.478 -10.871 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.588 -15.326 -16.097 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -16.508 -16.267 -15.818 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.103 -14.906 -15.373 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -17.280 -10.660 -6.899 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.807 -11.115 -6.208 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -17.517 -9.710 -6.792 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.248 -14.545 -10.112 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.704 -14.253 -10.866 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -17.603 -13.716 -9.738 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -19.651 -14.158 -6.719 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -20.490 -14.624 -6.633 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -19.036 -14.836 -7.093 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -15.777 -16.210 -6.285 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -15.869 -15.787 -5.409 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -16.600 -15.971 -6.754 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -12.349 -16.324 -7.739 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -11.674 -17.035 -7.791 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -13.104 -16.670 -8.262 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -19.237 -20.215 -6.404 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -19.593 -21.045 -6.079 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -18.948 -19.747 -5.592 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -12.108 -14.204 -17.501 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -12.081 -13.462 -18.131 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -12.982 -14.614 -17.655 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -14.047 -17.567 -17.171 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.689 -17.666 -16.446 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -14.214 -16.670 -17.520 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -16.255 -17.998 -15.412 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -16.023 -18.343 -14.520 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -16.698 -18.739 -15.842 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -14.875 -16.424 -12.507 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -14.099 -16.787 -13.000 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -15.523 -17.151 -12.528 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -13.626 -16.970 -10.097 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -14.157 -16.605 -10.834 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -13.968 -17.882 -9.988 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -9.625 -23.674 -4.895 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -9.013 -24.358 -5.193 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -10.044 -24.060 -4.092 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -14.643 -19.523 -9.902 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -14.734 -19.247 -8.958 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -15.528 -19.873 -10.137 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.067 -8.109 -15.349 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -14.444 -7.498 -15.781 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -15.548 -7.538 -14.710 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -17.066 -6.699 -8.712 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.543 -5.994 -8.282 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -17.289 -7.306 -7.986 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -16.082 -6.056 -13.846 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.000 -5.851 -14.152 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -16.193 -6.283 -12.890 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -15.539 -10.397 -9.222 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.682 -10.825 -9.023 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.998 -10.379 -8.364 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -12.555 -8.491 -18.044 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -12.412 -7.769 -18.700 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -13.446 -8.838 -18.266 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -16.510 -19.190 2.935 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.576 -19.286 3.208 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -17.005 -19.652 3.624 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -13.769 -13.307 3.320 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -13.992 -14.246 3.519 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -13.938 -12.837 4.167 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -18.705 -21.183 5.943 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -18.467 -22.099 5.674 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -19.128 -20.810 5.145 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.261 -22.194 0.799 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -18.715 -23.010 1.113 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -17.326 -22.374 0.946 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -15.562 -27.381 6.966 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -16.519 -27.426 6.763 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -15.515 -26.803 7.761 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -14.195 -15.960 3.729 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -14.787 -16.374 4.395 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -13.326 -16.387 3.888 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -20.769 -28.309 4.675 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -21.218 -28.225 5.544 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -20.468 -29.237 4.655 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -14.937 -12.894 0.911 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -15.668 -12.291 1.086 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -14.468 -12.961 1.776 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -13.285 -15.170 0.221 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -13.957 -14.573 0.598 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -13.522 -16.053 0.579 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -12.553 -20.996 9.475 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -12.995 -20.159 9.223 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -13.054 -21.671 9.012 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -14.268 -13.695 8.064 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -14.493 -13.284 8.929 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -14.983 -14.354 7.920 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -17.422 -16.828 -1.905 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -17.134 -17.286 -1.089 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -18.387 -16.980 -1.933 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -14.541 -10.448 -6.432 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -15.481 -10.690 -6.335 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -14.111 -10.832 -5.647 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -18.564 -25.327 6.881 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -18.538 -26.299 6.741 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -19.079 -25.217 7.684 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -15.524 -18.189 -3.656 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -16.426 -18.362 -3.346 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.487 -17.218 -3.737 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -16.685 -22.719 15.562 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -16.381 -23.539 15.131 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -17.637 -22.878 15.733 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -19.261 -21.341 3.274 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -19.121 -22.241 3.624 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -19.017 -21.410 2.336 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -16.294 -19.875 6.053 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.215 -20.211 6.054 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.818 -20.495 6.634 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.395 -23.645 4.758 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.428 -24.199 5.575 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.351 -24.293 4.039 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -12.503 -9.737 12.454 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -12.763 -9.011 11.848 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -11.534 -9.689 12.471 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -19.548 -22.325 8.276 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -19.292 -21.808 7.483 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -18.706 -22.456 8.758 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -18.733 -19.404 -3.758 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -18.483 -19.924 -2.975 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -19.299 -18.697 -3.398 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -19.981 -17.877 -1.792 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -19.573 -18.665 -1.366 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -20.840 -17.794 -1.367 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -20.725 -21.379 14.325 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -20.320 -20.636 13.839 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -21.480 -21.654 13.759 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.057 -17.179 9.574 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -15.275 -17.592 9.167 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -16.290 -16.455 8.959 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -11.356 -13.914 2.085 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -11.719 -14.410 1.332 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -12.147 -13.606 2.571 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -16.639 -18.345 0.346 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -16.870 -18.630 1.260 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.719 -18.029 0.428 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -15.172 -17.401 5.825 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -15.648 -18.266 5.826 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -14.336 -17.591 6.307 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -15.878 -15.394 -3.634 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.570 -14.599 -3.158 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.535 -15.800 -3.020 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -16.669 -13.952 12.115 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.556 -14.062 11.698 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -16.868 -13.613 13.016 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -12.648 -10.960 -4.429 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -12.087 -10.976 -3.626 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -12.024 -11.153 -5.158 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.637 -13.636 -1.740 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.032 -14.345 -1.462 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.932 -13.236 -0.894 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -17.479 -22.967 10.014 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -18.178 -23.367 10.562 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.735 -22.843 10.628 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.255 -21.856 7.842 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -15.594 -21.277 8.558 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -15.750 -22.681 7.952 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -12.084 -17.516 4.460 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -12.290 -17.617 5.427 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -11.135 -17.362 4.435 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -14.824 -10.409 7.928 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.724 -10.863 7.069 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -15.055 -11.121 8.547 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -19.143 -14.560 11.164 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -19.279 -15.234 11.872 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -20.025 -14.383 10.834 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -15.096 -11.260 -3.192 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.950 -12.092 -2.699 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -14.229 -11.073 -3.607 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -19.004 -11.945 -5.181 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -19.893 -11.793 -4.842 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -19.069 -12.808 -5.647 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -16.244 -15.484 7.382 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.890 -16.165 6.761 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.035 -15.153 6.943 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.297 -18.862 14.254 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -18.323 -18.853 14.177 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -19.462 -19.097 15.185 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -22.818 -22.230 12.681 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -22.773 -23.081 12.214 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -23.156 -21.609 12.010 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -23.212 -21.154 10.093 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -22.824 -20.369 9.691 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -22.517 -21.846 9.992 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -16.687 -20.655 12.292 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.589 -20.397 11.353 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -16.237 -21.515 12.346 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.011 -19.971 9.716 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.554 -19.163 9.716 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.156 -19.681 9.314 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -24.604 -26.435 16.824 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -25.040 -26.828 16.047 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -24.955 -26.945 17.582 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -21.514 -23.240 9.844 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -20.914 -22.914 9.130 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -20.905 -23.684 10.475 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -25.093 -25.881 9.020 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -25.043 -26.188 8.110 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -25.032 -24.901 8.948 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -14.088 -12.165 5.802 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -13.148 -11.864 5.815 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -14.161 -12.757 6.581 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -14.183 -17.539 1.451 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -14.396 -16.944 2.199 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -13.993 -18.398 1.879 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -13.760 -19.469 3.492 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -13.111 -18.783 3.753 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -13.712 -20.126 4.214 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -14.430 -20.057 -5.264 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.883 -19.469 -4.611 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.851 -20.914 -5.143 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -18.471 -19.993 -0.935 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -17.761 -19.474 -0.495 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.550 -20.801 -0.384 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -13.153 -20.631 6.014 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -13.200 -19.874 6.630 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -13.752 -21.288 6.404 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -11.890 -24.491 0.562 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -12.051 -25.438 0.367 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -12.054 -24.423 1.522 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -11.318 -21.459 -4.925 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -11.330 -21.329 -3.951 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -10.881 -22.325 -5.043 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -15.161 -10.452 12.376 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -14.186 -10.441 12.377 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -15.409 -9.520 12.499 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -15.248 -12.433 10.344 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -15.271 -11.636 10.909 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.725 -13.109 10.876 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -14.549 -7.766 8.603 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.618 -8.731 8.403 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -15.330 -7.385 8.186 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -18.916 -26.681 3.451 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -19.703 -27.098 3.871 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -18.220 -27.359 3.540 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -13.823 -27.616 4.808 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.408 -27.386 5.558 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -14.134 -28.495 4.528 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -9.993 -22.516 0.805 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -10.782 -23.061 0.584 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -9.599 -22.983 1.577 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -17.648 -29.154 4.187 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.840 -29.620 3.918 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -18.311 -29.870 4.308 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -11.301 -8.755 -1.285 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -11.339 -8.447 -0.374 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -12.134 -8.406 -1.691 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -24.911 -27.259 11.317 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -25.128 -26.843 10.448 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -25.344 -28.149 11.273 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -16.783 -19.775 21.861 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -16.001 -20.019 21.303 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -17.038 -18.902 21.537 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -19.002 -21.212 22.820 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.291 -20.577 22.599 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.979 -21.267 23.799 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.960 -13.931 17.261 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -16.051 -14.871 17.524 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -16.608 -13.462 17.826 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -19.144 -21.825 25.522 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -18.183 -21.975 25.680 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -19.527 -22.730 25.492 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -17.242 -16.194 15.215 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -17.093 -16.315 16.179 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -16.989 -17.056 14.826 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -14.437 -6.764 21.421 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -13.832 -6.298 22.003 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -13.958 -7.588 21.188 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -18.293 -25.121 22.792 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -18.350 -25.532 23.684 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -19.136 -25.356 22.367 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -21.552 -26.197 23.980 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -21.156 -27.048 24.248 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -22.250 -26.442 23.364 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -14.098 -11.331 21.442 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -13.695 -10.447 21.346 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -13.884 -11.778 20.604 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -13.543 -11.697 18.684 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -14.344 -11.177 18.469 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -12.812 -11.040 18.653 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.088 -14.847 28.772 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.806 -15.500 28.673 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.292 -15.318 28.451 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -18.443 -18.528 18.247 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -19.163 -18.871 17.683 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.025 -19.331 18.611 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -15.851 -20.208 16.376 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.992 -19.636 15.599 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -16.043 -21.116 16.043 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -16.539 -16.601 17.808 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.321 -17.143 18.065 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -15.773 -17.164 18.047 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -16.514 -18.599 13.984 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -16.135 -17.917 13.380 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -16.573 -19.410 13.417 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -18.592 -11.834 21.091 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -17.786 -11.909 21.655 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -19.215 -11.350 21.639 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -15.964 -10.759 17.684 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.779 -11.153 16.806 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -16.704 -11.298 18.037 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -17.944 -12.517 18.554 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -18.804 -12.823 18.243 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -18.103 -12.273 19.500 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -21.073 -27.606 27.499 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -20.315 -28.039 27.954 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -21.426 -26.997 28.156 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -18.137 -25.584 27.951 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -17.854 -25.747 28.873 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -18.819 -24.881 28.030 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -15.760 -16.542 12.290 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -16.093 -15.618 12.259 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -15.833 -16.849 11.361 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -17.105 -20.905 18.859 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -16.264 -20.820 19.369 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.825 -20.809 17.926 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -20.087 -23.599 28.285 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -19.824 -23.417 29.213 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -20.422 -22.739 27.963 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -15.902 -22.074 23.010 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -15.175 -22.173 22.347 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -16.328 -21.230 22.765 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -23.625 -24.747 14.098 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -23.537 -24.818 13.124 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -23.687 -23.796 14.259 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -21.571 -18.410 26.984 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -21.149 -19.234 27.302 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -20.932 -17.722 27.186 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -25.143 -23.066 21.811 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -25.936 -22.536 21.681 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -24.723 -22.675 22.617 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -20.635 -22.305 18.395 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -19.960 -22.373 19.104 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -21.420 -22.728 18.775 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -22.064 -25.653 16.425 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -23.009 -25.828 16.646 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -22.103 -25.281 15.531 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -23.814 -21.789 23.811 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -23.705 -21.290 24.645 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -22.903 -22.064 23.577 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -23.363 -20.325 26.172 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -24.206 -20.123 26.592 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -22.845 -19.495 26.262 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -14.540 -18.491 18.280 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.455 -19.115 19.036 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.852 -19.056 17.543 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.245 -17.803 29.640 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.164 -17.621 29.345 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.688 -17.335 28.983 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -16.450 -21.879 25.626 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.580 -21.545 25.894 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -16.327 -22.127 24.681 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.440 -19.012 26.663 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -17.038 -19.769 26.576 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.656 -19.271 26.147 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.474 -15.227 14.694 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -14.492 -15.604 13.799 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.376 -15.366 15.025 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.279 -15.873 17.959 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.663 -16.763 18.084 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -12.596 -15.806 18.655 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -21.318 -22.707 23.135 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -20.538 -22.129 22.991 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -21.086 -23.225 23.936 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -18.746 -22.558 20.389 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -18.134 -21.963 19.895 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -18.826 -22.137 21.274 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -20.935 -21.060 27.413 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -21.817 -21.104 26.992 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -20.306 -21.207 26.670 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -20.226 -25.148 20.717 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -21.117 -24.742 20.739 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -19.629 -24.399 20.540 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -25.119 -27.092 14.111 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -24.629 -26.262 14.292 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -25.196 -27.112 13.135 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.075 -8.952 20.407 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -13.754 -8.785 19.717 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.286 -9.227 19.899 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -17.184 -13.489 14.772 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.637 -13.293 15.554 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -17.409 -14.434 14.873 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -19.363 -16.297 13.220 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -18.747 -16.056 13.931 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -19.564 -17.238 13.392 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -15.727 -17.210 28.604 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -16.511 -17.245 29.164 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -15.958 -17.784 27.832 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -20.169 -20.081 16.686 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -20.517 -20.510 15.876 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -20.383 -20.716 17.399 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -19.252 -22.682 30.731 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -19.157 -22.965 31.674 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -19.578 -21.777 30.790 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -13.585 -19.711 31.552 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -13.894 -20.537 31.108 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -13.420 -19.089 30.809 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -17.230 -26.219 30.648 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -17.983 -26.778 30.933 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -16.492 -26.493 31.241 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -18.713 -23.203 33.320 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -18.703 -24.062 33.756 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -18.451 -22.570 34.026 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -11.368 -10.015 18.478 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -11.187 -9.732 17.555 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -10.474 -10.059 18.894 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -13.608 -15.362 32.038 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -13.120 -14.518 32.193 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -14.083 -15.208 31.211 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -16.407 -11.893 22.699 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -16.067 -12.443 23.407 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -15.598 -11.593 22.218 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.891 -8.405 18.465 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.339 -9.205 18.103 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -15.627 -7.867 18.838 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -22.545 -23.674 20.925 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -23.464 -23.357 21.034 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -22.080 -23.332 21.725 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -24.676 -25.639 20.853 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -23.777 -25.325 20.670 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -25.118 -24.866 21.256 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -23.221 -24.904 11.421 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -23.817 -25.637 11.158 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -22.911 -24.533 10.572 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -19.384 -23.155 16.037 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -19.806 -22.616 15.332 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -19.849 -22.883 16.856 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -19.150 -28.192 31.241 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -19.902 -28.826 31.284 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -18.491 -28.564 31.875 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -13.044 -23.424 34.116 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -13.964 -23.234 33.829 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -12.561 -22.593 33.924 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.556 -22.609 33.339 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -15.921 -22.914 32.482 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -16.331 -22.553 33.920 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -11.993 -20.883 33.473 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -12.500 -20.493 32.728 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -12.267 -20.354 34.251 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -13.982 -17.858 33.580 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -13.796 -18.388 32.777 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -13.940 -16.932 33.268 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -9.348 -15.360 34.834 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -9.396 -14.574 34.253 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -9.062 -15.003 35.700 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -8.565 -14.620 37.410 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -7.738 -14.603 37.903 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -9.234 -14.821 38.072 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -12.969 -19.427 35.637 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -13.157 -18.670 35.041 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -13.786 -19.538 36.140 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -14.233 -22.039 30.344 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -13.642 -22.786 30.474 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -15.130 -22.432 30.403 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -16.554 -23.483 30.851 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -16.681 -24.451 30.763 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -17.448 -23.114 30.708 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -17.622 -21.589 35.210 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.018 -21.298 36.039 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -16.974 -20.876 34.991 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -15.680 -19.855 34.467 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -15.253 -19.018 34.191 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -15.264 -20.530 33.906 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -11.560 -26.301 38.067 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -12.232 -26.300 37.359 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -11.062 -25.465 37.922 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -13.434 -25.340 36.181 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -13.481 -24.652 36.851 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -13.399 -24.847 35.336 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -10.607 -4.391 -11.222 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -11.540 -4.301 -11.524 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -10.082 -3.956 -11.931 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -13.260 -4.254 -11.862 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -13.880 -3.751 -12.404 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -13.565 -4.095 -10.936 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -13.008 -6.739 -13.068 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -13.201 -5.901 -12.599 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -13.151 -6.523 -14.007 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -12.565 -5.875 -8.036 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -11.831 -5.524 -7.491 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -12.727 -6.772 -7.665 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -11.573 -0.845 -10.587 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -12.529 -0.764 -10.508 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -11.420 -0.949 -11.533 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -16.191 -6.905 -11.296 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -15.307 -7.011 -10.891 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -16.795 -6.835 -10.524 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -15.509 -4.966 -7.210 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -16.150 -4.970 -6.462 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -14.691 -5.297 -6.820 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -13.879 -7.421 -9.960 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -13.288 -6.806 -9.483 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -14.239 -7.992 -9.262 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -17.156 -5.194 -5.062 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -17.572 -4.486 -4.564 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -17.327 -5.998 -4.528 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -13.846 -3.816 -9.229 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -14.711 -3.795 -8.782 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -13.396 -4.596 -8.834 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -8.599 -2.102 -3.073 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -8.536 -2.847 -3.713 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -9.533 -1.871 -3.073 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -13.970 -5.588 -15.530 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -14.274 -5.108 -16.340 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -14.745 -5.546 -14.923 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -9.521 -1.030 -8.754 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -9.756 -1.958 -8.546 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -10.239 -0.736 -9.357 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -14.598 -4.556 -17.917 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -14.329 -3.832 -18.495 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -15.068 -5.178 -18.512 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -10.780 -3.483 -8.622 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -11.720 -3.240 -8.660 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -10.604 -3.889 -9.500 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -18.955 -8.043 -16.383 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -19.471 -8.301 -17.153 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -18.216 -8.681 -16.364 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.579 -5.274 -16.953 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -11.845 -5.019 -17.857 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -12.429 -5.451 -16.495 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -16.814 -9.859 -16.454 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -16.173 -9.226 -16.049 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -16.539 -10.736 -16.098 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -15.500 -6.593 -19.566 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -16.214 -6.881 -20.159 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -15.295 -7.391 -19.042 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -17.909 -7.436 -3.697 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -18.433 -7.312 -2.897 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -17.666 -8.396 -3.678 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -13.460 -7.781 -2.563 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -14.257 -8.237 -2.852 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -13.170 -7.275 -3.355 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -17.519 -10.086 -3.675 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -16.649 -10.485 -3.445 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -18.011 -10.817 -4.094 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -10.499 -7.883 11.675 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -9.898 -7.159 11.379 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -11.383 -7.603 11.357 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -11.933 -6.972 8.021 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -12.861 -7.279 8.009 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -11.844 -6.525 8.871 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -12.429 -6.630 -4.831 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -12.684 -7.216 -5.575 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -11.926 -5.905 -5.258 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -13.145 -7.503 10.954 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -13.685 -7.550 10.133 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -13.806 -7.341 11.665 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -14.818 -7.642 13.146 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -15.400 -6.929 13.493 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -14.409 -8.025 13.947 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -14.994 -11.598 15.198 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -14.544 -10.728 15.109 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -15.518 -11.679 14.378 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -13.455 -9.347 14.959 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -13.089 -9.539 14.069 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -12.662 -9.200 15.514 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -9.262 -9.285 13.625 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -9.653 -8.782 12.873 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -8.384 -9.574 13.289 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -16.625 -6.790 19.811 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -17.393 -6.697 20.378 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -15.860 -6.713 20.427 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -12.863 -6.660 17.750 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -13.313 -5.872 18.068 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -13.518 -7.380 17.887 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -16.366 -5.691 14.344 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -16.784 -5.925 15.179 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -16.611 -4.770 14.206 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -9.597 -35.242 5.805 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -9.466 -36.092 6.272 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -10.389 -35.393 5.256 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -2.025 -35.048 9.266 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -2.052 -35.166 10.223 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -2.692 -34.348 9.091 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -14.736 -38.113 5.928 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -14.725 -38.985 6.382 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -14.017 -38.182 5.260 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -14.039 -35.037 2.615 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -14.834 -35.207 3.159 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -14.143 -34.108 2.331 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -6.506 -33.544 5.086 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -6.791 -34.218 4.421 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -5.920 -32.958 4.589 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -11.921 -35.352 4.310 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -12.573 -35.160 3.600 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -12.394 -35.087 5.142 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -7.124 -35.058 2.924 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -7.618 -34.468 2.319 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -7.356 -35.943 2.633 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -6.112 -34.895 7.609 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -6.857 -35.269 8.133 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -6.519 -34.646 6.758 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -10.599 -35.314 1.761 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -10.760 -35.315 2.720 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -9.965 -34.584 1.626 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 4.099 -29.925 9.384 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 3.662 -30.797 9.286 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 3.601 -29.337 8.751 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 2.405 -27.087 2.934 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 2.389 -27.291 3.897 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 3.349 -27.152 2.694 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 2.205 -31.108 6.509 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 2.261 -30.924 5.551 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.327 -30.218 6.927 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 2.858 -32.300 8.870 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 2.524 -31.855 8.057 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 2.260 -33.064 8.985 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -5.178 -31.831 6.833 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -5.674 -32.631 6.591 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -4.636 -32.110 7.596 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -6.308 -30.056 5.078 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -6.711 -29.451 5.712 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.753 -30.650 5.637 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -6.985 -38.590 7.598 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -6.817 -38.524 8.559 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -6.109 -38.546 7.204 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 2.330 -30.043 3.909 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.531 -29.334 4.576 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 2.541 -29.630 3.062 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -7.797 -36.042 9.454 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -8.647 -36.533 9.466 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -7.141 -36.698 9.776 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -5.444 -28.769 2.734 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -4.554 -28.393 2.890 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -5.681 -29.179 3.588 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -2.405 -25.345 2.197 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -1.453 -25.225 2.333 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -2.621 -26.154 2.706 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 3.750 -24.232 0.074 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 4.375 -23.539 -0.191 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 3.962 -24.394 1.022 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -2.037 -38.193 13.714 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -1.686 -37.784 14.546 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -1.858 -39.133 13.823 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -9.513 -37.793 6.950 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -8.591 -38.128 7.053 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -9.845 -37.724 7.871 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -8.653 -33.851 10.849 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -8.163 -34.532 10.343 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -8.790 -34.262 11.726 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 2.147 -33.872 6.277 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 2.996 -33.978 5.804 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 2.001 -32.904 6.287 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -4.234 -33.465 8.971 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -4.419 -33.478 9.935 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -4.984 -33.958 8.574 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -9.110 -32.562 5.651 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -8.156 -32.502 5.475 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -9.268 -33.532 5.753 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.406 -33.758 8.689 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -9.700 -33.611 9.353 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.937 -34.493 9.067 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -4.542 -38.137 12.492 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -4.950 -38.407 13.339 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -3.585 -38.119 12.689 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 3.170 -35.378 10.640 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 3.810 -35.839 10.087 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 2.439 -35.148 10.022 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -7.228 -31.163 2.581 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -7.131 -30.846 3.496 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -6.687 -30.547 2.061 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -7.298 -28.262 -1.227 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -7.527 -29.149 -1.572 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -7.781 -27.648 -1.816 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 0.185 -31.225 2.638 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 0.302 -32.150 2.855 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 0.853 -30.764 3.182 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -6.163 -26.865 0.849 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -5.960 -27.569 1.501 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -6.591 -27.348 0.104 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -8.599 -33.281 1.429 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -8.176 -32.539 1.927 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -8.658 -32.950 0.525 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -8.118 -32.756 14.115 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -8.377 -32.168 13.395 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -8.405 -33.652 13.810 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -4.157 -33.757 11.739 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -4.760 -33.479 12.460 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -3.691 -34.543 12.109 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -2.090 -32.520 13.193 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -2.248 -33.149 13.928 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -2.701 -32.817 12.493 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -5.334 -38.048 15.173 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -4.850 -37.568 15.871 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -5.873 -37.360 14.744 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -5.930 -37.928 10.120 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -5.517 -38.107 10.994 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -5.185 -37.605 9.566 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -2.712 -35.594 13.089 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -2.426 -36.526 13.185 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -2.562 -35.207 13.979 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -4.180 -36.758 8.391 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -3.329 -36.292 8.486 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -4.776 -36.091 7.991 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -0.983 -37.053 15.943 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -1.125 -37.203 16.905 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -0.144 -36.546 15.902 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 1.279 -34.628 8.765 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 0.314 -34.751 8.765 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 1.507 -34.524 7.809 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -4.649 -24.594 0.694 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -5.217 -25.406 0.733 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -3.863 -24.830 1.243 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -12.296 -27.212 0.708 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -11.530 -27.794 0.780 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -13.012 -27.801 0.368 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -13.836 -29.137 -0.416 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -14.485 -29.849 -0.266 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -13.542 -29.269 -1.335 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 3.317 -30.172 15.124 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 3.247 -31.091 15.451 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 4.226 -30.117 14.761 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 6.079 -31.268 4.779 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 6.725 -31.390 5.507 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 6.021 -30.305 4.675 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 5.326 -33.104 7.857 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 4.991 -33.394 6.987 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 4.529 -32.785 8.325 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -10.149 -37.499 9.607 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -10.760 -36.737 9.718 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -10.521 -38.182 10.190 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -11.143 -39.643 5.670 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -10.525 -39.004 6.082 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -11.664 -39.101 5.043 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 7.533 -21.460 3.400 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 8.218 -20.776 3.243 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 7.414 -21.468 4.376 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -9.017 -26.900 -2.915 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -9.615 -27.627 -3.176 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -9.614 -26.148 -2.741 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 5.241 -26.839 -3.021 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 4.401 -26.637 -2.551 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 4.972 -26.972 -3.935 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -6.116 -34.064 21.191 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -6.433 -33.282 21.706 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -5.688 -33.672 20.399 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -7.418 -29.627 23.914 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -7.044 -30.192 24.608 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -6.949 -28.760 24.033 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -10.070 -37.394 20.077 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -9.774 -38.151 19.564 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -9.289 -36.797 20.102 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -9.873 -35.757 22.444 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -9.305 -35.379 21.751 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -10.302 -36.511 22.011 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -3.421 -37.536 24.391 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -4.040 -38.290 24.501 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.795 -37.026 23.641 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -5.143 -33.402 18.719 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -4.831 -32.921 17.916 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -5.846 -33.997 18.381 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -2.630 -30.566 26.021 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -3.582 -30.747 26.185 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -2.406 -31.144 25.254 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 2.331 -29.573 25.688 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 1.493 -30.081 25.753 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 3.028 -30.245 25.836 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 4.981 -32.753 28.456 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 4.636 -32.083 27.842 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 5.243 -33.497 27.870 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -0.941 -33.283 17.644 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -0.006 -33.052 17.727 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -1.363 -32.464 17.279 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -2.419 -34.211 15.430 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -3.039 -33.532 15.812 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -1.680 -34.238 16.068 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 3.262 -34.882 17.643 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 2.638 -34.914 18.404 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 4.088 -34.504 18.028 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -5.833 -38.837 29.320 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -5.223 -39.399 28.812 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -5.482 -37.930 29.190 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -7.020 -35.127 17.676 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -6.443 -35.581 17.038 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -7.743 -34.750 17.126 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -1.969 -34.869 25.604 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -2.068 -35.449 24.835 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -1.765 -33.991 25.213 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 0.794 -32.831 15.030 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 0.625 -33.769 15.238 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 1.724 -32.694 15.306 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -7.114 -32.032 22.653 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -7.202 -31.065 22.758 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -7.205 -32.376 23.567 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -8.234 -35.374 20.142 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -7.505 -34.971 20.668 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -7.905 -35.333 19.218 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 5.537 -30.933 11.573 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 5.178 -31.829 11.786 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 4.962 -30.616 10.845 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 6.549 -29.528 30.850 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 7.102 -28.721 30.964 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 5.666 -29.186 30.670 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 1.325 -35.525 15.748 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 2.029 -35.467 16.430 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 1.815 -35.516 14.897 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -6.494 -35.406 24.676 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -5.919 -34.627 24.854 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -6.030 -35.879 23.963 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -4.245 -35.976 16.739 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -3.624 -35.536 16.131 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -3.848 -35.847 17.616 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -2.764 -34.789 18.988 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -3.583 -34.250 19.066 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -2.144 -34.211 18.484 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -4.523 -35.777 22.619 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -5.129 -35.300 22.013 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -3.739 -35.177 22.690 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -2.735 -37.166 26.964 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -2.988 -37.360 26.030 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -2.255 -36.316 26.901 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -0.802 -35.005 20.978 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -1.260 -34.734 21.804 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -1.493 -34.925 20.292 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -5.112 -39.501 25.310 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -4.666 -39.669 26.165 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -6.014 -39.797 25.453 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 4.362 -31.450 25.891 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 4.111 -32.237 25.358 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 5.281 -31.285 25.650 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -4.828 -32.081 30.042 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -5.065 -31.768 30.941 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -5.671 -32.018 29.535 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -4.428 -33.682 25.061 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -3.981 -33.543 24.202 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -3.756 -34.135 25.603 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.670 -29.713 25.476 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.107 -29.605 24.682 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -9.019 -29.820 26.211 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -4.702 -36.434 28.719 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -3.949 -36.618 28.118 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -4.326 -35.824 29.395 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 8.161 -31.534 29.885 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 7.641 -30.787 30.254 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 7.532 -32.007 29.330 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 5.095 -29.282 18.527 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 4.565 -29.235 19.336 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 5.955 -28.938 18.790 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 0.050 -31.138 25.953 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -0.758 -30.680 26.259 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -0.278 -31.740 25.249 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -10.899 -36.899 12.919 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -11.647 -36.476 13.381 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -11.320 -37.570 12.350 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 3.363 -32.712 16.026 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 3.267 -33.572 16.490 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 4.225 -32.365 16.349 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -11.772 -34.638 16.320 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -11.820 -34.851 17.275 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -10.857 -34.324 16.197 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -3.711 -39.653 27.668 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -2.930 -40.193 27.827 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -3.350 -38.750 27.511 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -1.324 -37.130 18.682 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -0.766 -37.122 19.467 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -1.965 -36.410 18.838 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -9.085 -33.681 16.541 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -9.123 -32.995 17.240 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -8.771 -33.199 15.748 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -11.483 -30.762 31.226 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -10.992 -31.271 31.895 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -11.401 -31.299 30.410 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -5.411 -33.380 14.214 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -4.981 -33.025 15.028 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -6.336 -33.057 14.273 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -5.038 -31.571 26.753 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -5.955 -31.549 27.075 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -5.023 -32.323 26.120 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 1.321 -31.798 28.407 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 0.780 -31.607 27.614 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.800 -32.600 28.178 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -7.630 -32.357 25.326 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -8.307 -33.054 25.403 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.791 -31.776 26.093 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -8.743 -35.219 13.206 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -9.464 -35.892 13.161 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -7.923 -35.750 13.292 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -6.954 -35.513 27.410 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -6.743 -35.657 26.466 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -6.178 -35.878 27.887 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -6.110 -35.984 13.508 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -5.419 -36.382 12.947 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -5.753 -35.101 13.742 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -3.638 -34.601 30.434 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -2.672 -34.435 30.361 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -4.042 -33.725 30.265 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 2.225 -35.095 13.196 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 2.630 -35.406 12.359 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 1.380 -34.721 12.924 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -2.527 -31.765 28.576 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -2.638 -31.371 27.691 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -3.440 -31.834 28.924 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -1.112 -33.638 29.921 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -0.198 -33.352 29.845 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -1.616 -32.972 29.398 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 4.573 -32.733 31.180 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 4.766 -32.676 30.215 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 4.411 -33.669 31.333 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 5.326 -33.403 18.684 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 5.539 -32.717 18.017 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 5.901 -33.184 19.440 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 3.898 -33.694 24.310 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 3.003 -33.777 23.956 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 4.484 -33.877 23.534 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 1.699 -34.790 19.869 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 2.217 -34.786 20.675 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 0.768 -34.857 20.182 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -9.197 -34.711 24.879 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -9.569 -35.045 24.031 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -8.266 -35.023 24.866 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -7.730 -31.004 43.501 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -8.008 -31.907 43.782 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -6.764 -31.026 43.562 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.477 -34.831 36.473 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -7.779 -34.329 36.936 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -8.272 -34.695 35.524 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -12.569 -38.860 37.948 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -13.355 -39.258 37.560 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -11.945 -39.591 38.026 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.561 -29.090 41.828 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -1.869 -29.085 42.496 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -3.339 -29.458 42.287 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -9.038 -32.168 38.644 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -9.638 -32.914 38.406 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -8.203 -32.372 38.165 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -4.593 -32.167 41.293 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -4.334 -32.971 41.753 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -4.637 -31.490 41.995 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -0.802 -28.709 33.305 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -1.092 -28.395 34.170 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -1.283 -29.534 33.177 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -10.608 -34.301 38.007 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -9.907 -34.650 37.402 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -11.105 -35.099 38.284 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 2.000 -29.530 29.848 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 1.766 -30.354 29.365 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 2.426 -29.849 30.672 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -10.323 -29.047 41.897 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -9.845 -28.785 42.704 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -10.636 -28.194 41.516 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 2.599 -23.092 32.136 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 2.809 -23.048 33.077 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 3.372 -22.698 31.698 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.926 -28.202 39.670 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -4.374 -29.048 39.469 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -3.247 -28.444 40.343 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -8.415 -33.638 43.680 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -8.848 -33.422 42.826 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -8.717 -34.528 43.879 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -5.221 -29.788 36.622 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -5.294 -30.042 37.565 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -4.778 -28.910 36.644 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 3.250 -30.488 32.116 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 3.945 -30.321 32.779 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 3.514 -31.342 31.713 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -5.389 -30.515 39.289 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -4.993 -31.211 39.862 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.184 -30.224 39.785 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -10.012 -32.402 33.057 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -9.624 -33.031 33.690 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -9.298 -32.269 32.394 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -6.722 -32.848 37.354 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -5.930 -32.665 37.876 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -6.513 -32.481 36.466 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -5.742 -30.853 32.334 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -6.585 -31.345 32.207 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -6.024 -29.963 32.629 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 11.088 -27.168 28.451 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 12.028 -27.416 28.346 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 10.996 -26.971 29.398 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -8.470 -28.373 43.861 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -8.338 -29.343 43.945 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -7.559 -28.007 43.874 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -6.014 -31.707 34.951 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -5.685 -30.949 35.496 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -5.645 -31.538 34.061 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -7.593 -33.786 34.125 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -7.071 -33.036 34.476 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -6.981 -34.221 33.489 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -4.009 -27.414 37.066 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -3.804 -27.599 38.008 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -4.028 -26.456 37.012 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -5.763 -34.609 32.247 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -6.440 -34.901 31.603 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -4.916 -34.734 31.775 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -7.878 -32.317 31.394 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -7.691 -32.073 30.460 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -7.818 -33.297 31.400 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -7.904 -35.034 30.633 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -8.238 -34.819 29.745 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -7.972 -36.018 30.683 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -7.996 -37.774 30.627 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -7.212 -38.168 30.182 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -8.520 -38.533 30.893 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -10.184 -29.693 38.778 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -9.714 -30.527 38.552 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -10.780 -29.952 39.507 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -8.526 -27.650 39.539 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -9.257 -27.195 40.007 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -8.961 -28.428 39.128 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -9.266 -32.420 41.387 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -9.105 -32.362 40.419 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -8.755 -31.683 41.757 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -0.694 -23.063 36.299 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -0.190 -23.687 36.871 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -1.313 -22.617 36.918 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -5.854 -27.403 43.725 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -5.415 -26.802 44.339 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -5.683 -27.004 42.835 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.111 -29.872 42.759 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.761 -29.768 42.025 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -5.256 -29.076 43.313 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.212 -26.412 41.293 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.883 -25.948 40.747 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -4.785 -27.040 40.667 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 1.935 -28.306 33.244 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 0.982 -28.508 33.273 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 2.342 -29.118 32.892 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -11.538 -18.545 -17.330 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -12.451 -18.183 -17.228 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -11.569 -19.031 -18.156 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -10.739 -14.806 -15.205 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -10.767 -15.786 -15.187 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -11.165 -14.571 -16.065 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -0.849 -5.763 -8.636 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -1.196 -5.580 -9.516 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -0.972 -4.926 -8.150 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -2.130 -9.608 -9.469 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -1.957 -10.110 -10.297 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -1.744 -10.175 -8.766 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -10.589 -17.559 -15.008 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -10.832 -17.948 -15.886 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -9.724 -17.964 -14.798 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -8.087 -18.479 -14.133 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -8.348 -18.788 -13.230 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -7.457 -19.142 -14.435 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -6.868 -15.429 -8.647 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -6.262 -14.722 -8.935 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -6.387 -15.874 -7.917 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -12.809 -20.007 -11.822 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -11.995 -20.307 -11.382 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -13.447 -19.885 -11.084 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -12.239 -12.038 -19.271 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -13.055 -11.552 -19.450 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -11.813 -12.115 -20.133 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -8.018 -15.703 -14.195 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -8.286 -15.512 -15.101 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -7.894 -16.673 -14.181 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -5.105 -13.283 -9.179 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -4.493 -13.319 -9.957 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -4.520 -13.495 -8.414 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -8.196 -17.633 -9.548 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -7.670 -16.820 -9.362 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -8.942 -17.584 -8.919 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 2.554 -11.248 -7.249 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 2.006 -11.998 -6.929 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 2.435 -11.264 -8.206 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -8.410 -10.386 -12.220 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -8.929 -10.662 -13.005 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.171 -9.470 -12.411 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -8.830 -19.271 -11.619 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -8.531 -18.634 -10.934 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -9.502 -19.813 -11.164 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -3.866 -21.357 -4.707 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -4.119 -22.188 -4.267 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -2.925 -21.468 -4.897 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -10.133 -17.860 -7.608 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.412 -17.649 -6.966 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -10.210 -18.840 -7.567 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 1.650 -5.016 -6.663 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 1.781 -5.836 -7.182 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 0.796 -4.677 -6.967 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -3.096 -13.581 -7.321 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.683 -13.856 -6.478 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -2.462 -12.945 -7.694 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -0.745 -14.706 -10.699 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -0.455 -15.379 -11.325 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -0.256 -14.903 -9.893 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -0.432 -10.467 -5.255 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 0.340 -9.891 -5.473 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -0.082 -11.094 -4.581 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.020 -13.157 -10.887 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -2.313 -13.832 -10.794 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -2.545 -12.361 -11.192 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -1.134 -11.483 -7.680 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -0.411 -12.133 -7.773 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -0.976 -11.080 -6.796 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 1.550 -8.894 -6.140 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 1.605 -8.258 -6.889 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 2.083 -9.658 -6.439 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -10.175 -20.560 -7.312 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -10.690 -20.891 -6.542 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -9.258 -20.791 -7.100 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -10.935 -12.691 -13.463 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -10.941 -13.402 -14.141 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -10.614 -11.905 -13.945 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.278 -13.840 -5.194 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -1.015 -14.710 -4.828 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -0.987 -13.200 -4.511 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 0.775 -13.387 -6.937 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 1.317 -14.188 -6.753 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -0.010 -13.500 -6.358 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -8.173 -17.129 -5.924 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -8.444 -16.391 -5.342 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -7.233 -16.929 -6.144 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -0.035 -15.755 -3.656 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -0.340 -16.545 -3.150 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 0.254 -15.136 -2.970 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -5.276 -19.303 -6.101 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -4.834 -20.063 -5.671 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -5.737 -19.695 -6.868 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.962 -19.881 -8.446 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -6.980 -20.509 -9.174 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -7.351 -19.066 -8.822 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -1.354 -23.355 -3.518 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -0.780 -24.142 -3.383 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -0.895 -22.647 -3.029 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.999 -18.688 -3.696 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -7.942 -18.362 -4.616 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -8.058 -19.669 -3.791 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -5.547 -16.645 -6.509 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -5.379 -17.612 -6.363 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -4.669 -16.245 -6.467 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -8.289 -21.386 -3.929 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -8.699 -22.078 -4.477 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -8.311 -21.757 -3.027 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -3.973 -23.790 -3.164 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -4.165 -24.714 -3.376 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -2.999 -23.700 -3.340 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -11.242 -7.824 -15.666 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -11.716 -8.095 -16.476 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -11.019 -6.895 -15.826 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 3.310 -6.465 -10.172 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 3.415 -5.580 -10.591 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 4.139 -6.910 -10.357 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -14.660 -18.396 -7.459 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -14.630 -19.015 -6.703 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -15.076 -17.583 -7.088 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -12.876 -17.880 -13.538 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -12.099 -17.811 -14.134 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -12.720 -18.707 -13.035 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.875 -7.613 -8.591 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -4.544 -7.809 -9.262 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -3.130 -8.212 -8.814 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -2.388 -5.390 -13.095 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -1.477 -5.120 -12.941 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -2.495 -6.203 -12.550 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 4.783 -10.046 -6.085 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 5.146 -9.570 -6.836 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 4.056 -10.580 -6.464 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -7.609 -11.923 -9.978 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -6.825 -12.497 -10.045 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -7.717 -11.553 -10.879 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -2.717 -7.685 -11.606 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -3.084 -8.383 -12.185 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -2.314 -8.176 -10.868 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -11.252 -10.697 -17.016 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -11.490 -9.860 -17.463 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -11.423 -11.382 -17.690 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -6.107 -23.359 -1.338 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -5.552 -23.431 -2.138 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -5.701 -23.996 -0.708 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.395 -9.328 -3.468 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 4.634 -9.660 -4.361 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 3.925 -8.491 -3.644 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -2.156 -6.855 6.137 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -1.484 -7.559 6.268 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -1.627 -6.058 5.926 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 0.151 -9.273 0.574 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 0.174 -10.083 1.118 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -0.268 -8.617 1.148 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.731 -19.704 -0.183 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -1.431 -20.357 -0.842 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -1.323 -20.015 0.655 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -0.483 -8.319 3.562 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.220 -7.646 3.495 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.531 -8.516 4.521 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 0.404 -25.135 -2.413 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 0.427 -24.754 -1.513 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 1.276 -25.552 -2.514 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -3.260 -11.249 2.041 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -3.423 -11.006 1.116 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -3.923 -10.741 2.535 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -7.719 -10.711 3.472 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -8.140 -11.361 2.862 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -7.766 -11.145 4.352 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -1.936 -10.954 -1.427 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -1.191 -10.697 -0.859 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -2.719 -10.533 -0.998 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -0.570 -11.023 2.643 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -1.517 -11.239 2.482 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -0.599 -10.181 3.137 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -0.636 -17.752 -1.909 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -1.178 -18.169 -1.219 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 0.158 -18.319 -1.959 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -0.235 -21.130 1.617 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -0.566 -21.999 1.877 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 0.732 -21.275 1.479 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -3.115 -22.565 -0.773 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -3.475 -22.947 -1.594 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -3.493 -23.123 -0.067 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -8.318 -20.247 0.299 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -9.098 -20.794 0.492 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -7.573 -20.767 0.644 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 2.494 -21.525 1.207 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 2.908 -21.380 0.335 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 3.246 -21.519 1.829 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 4.875 -21.081 2.737 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 4.555 -21.533 3.557 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 5.850 -21.183 2.779 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 3.641 -10.659 1.558 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 3.431 -10.392 0.633 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 4.446 -11.184 1.471 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -4.064 -9.637 -0.358 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -4.147 -8.817 -0.878 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -4.658 -9.496 0.409 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 1.752 -12.429 -1.249 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 2.160 -13.065 -0.628 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 2.319 -11.634 -1.184 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 3.270 -10.072 -1.090 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 3.813 -10.001 -1.911 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 2.765 -9.235 -1.072 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 2.892 -13.940 0.901 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 2.457 -13.425 1.610 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 3.745 -14.219 1.299 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 0.786 -24.834 2.604 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 1.227 -24.381 3.362 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 1.207 -25.720 2.587 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -6.552 -8.505 -2.929 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -5.755 -8.098 -2.521 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -7.238 -8.407 -2.255 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -3.003 -27.692 3.642 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -2.254 -28.301 3.657 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -3.206 -27.538 4.593 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -5.781 -19.843 2.729 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -6.026 -20.265 3.565 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -5.852 -20.565 2.069 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 4.530 -11.596 5.076 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 5.117 -12.376 4.953 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 3.637 -11.961 5.007 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -0.175 -12.232 -3.176 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 0.607 -12.374 -2.588 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -0.876 -11.927 -2.564 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -4.180 -13.441 -1.615 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -3.509 -12.749 -1.635 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -3.962 -13.967 -0.823 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 6.296 -14.964 -4.625 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 6.928 -14.719 -5.309 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 5.836 -14.141 -4.419 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.915 -12.698 1.925 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.779 -12.963 1.001 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -9.778 -13.106 2.160 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.489 -11.514 5.744 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -10.969 -11.362 4.947 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -10.916 -11.201 6.469 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 3.611 -8.474 9.076 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 3.268 -8.482 8.168 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 3.158 -9.240 9.512 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 9.066 -12.557 7.230 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 8.776 -13.319 7.781 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 8.556 -11.803 7.584 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 1.902 -12.300 2.863 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 0.997 -11.925 2.836 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 2.467 -11.592 2.487 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 1.745 -15.647 -5.816 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 2.521 -16.148 -5.552 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 1.103 -15.796 -5.089 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 1.169 -19.776 -1.357 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 1.173 -19.477 -0.422 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 0.612 -20.584 -1.351 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -0.498 -21.962 -1.291 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 0.081 -22.610 -0.825 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -1.411 -22.248 -1.056 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 2.948 -26.190 -1.663 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 3.273 -25.463 -1.081 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 2.475 -26.779 -1.063 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -11.071 -21.145 -2.183 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.226 -21.586 -1.977 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -11.458 -20.957 -1.319 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 3.955 -9.148 3.914 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 4.301 -9.933 4.388 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 3.734 -9.492 3.023 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -7.545 -7.336 8.655 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -8.360 -7.666 8.215 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -6.969 -7.066 7.910 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -6.055 -7.111 6.338 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -6.779 -7.525 5.817 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -5.529 -6.625 5.668 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -4.309 -6.020 4.447 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -3.772 -5.410 3.898 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -3.649 -6.460 5.022 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 2.747 -7.952 6.149 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 3.274 -8.420 5.465 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 3.346 -7.239 6.470 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 0.130 -9.680 8.992 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -0.529 -9.692 9.696 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.935 -10.061 9.413 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -9.809 -10.730 7.816 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -9.650 -9.783 7.576 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -10.211 -10.684 8.693 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -7.898 -11.627 6.051 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -8.621 -11.332 6.643 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -7.093 -11.204 6.435 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -6.108 -10.187 7.475 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -5.755 -9.401 7.037 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -5.898 -10.050 8.415 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -10.572 -24.611 -2.480 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -9.907 -24.007 -2.085 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -11.291 -24.628 -1.828 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 0.916 -23.933 0.035 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 0.728 -24.252 0.949 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 1.892 -23.839 0.016 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -11.133 -11.340 -2.121 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -11.044 -10.400 -1.839 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -11.441 -11.796 -1.327 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -8.763 -22.757 -1.569 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -7.833 -23.077 -1.497 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -9.060 -22.676 -0.633 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -6.199 -21.962 1.045 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -6.199 -22.245 0.108 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -5.781 -22.705 1.511 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -2.570 -9.653 -3.868 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -1.753 -9.948 -4.325 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -2.506 -10.060 -2.983 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -9.787 -14.544 27.889 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -9.768 -13.566 27.830 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -9.514 -14.735 28.819 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 2.752 -13.260 26.692 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 3.557 -13.726 26.980 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 2.887 -13.127 25.735 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 3.822 -16.669 24.714 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 2.889 -16.879 24.954 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 3.763 -16.416 23.774 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -8.452 -8.478 29.120 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -8.548 -7.590 29.478 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -7.874 -8.366 28.356 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -11.921 -16.265 27.775 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -11.150 -15.663 27.912 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -11.877 -16.493 26.839 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 6.595 -11.424 27.843 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 5.771 -11.299 28.375 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 7.301 -11.409 28.500 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -8.877 -9.784 19.499 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -8.217 -9.747 20.196 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -8.480 -9.262 18.763 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -13.111 -12.286 28.254 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -13.836 -11.931 27.727 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -13.418 -13.187 28.507 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.998 -9.230 27.831 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 3.298 -9.090 26.914 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 2.288 -9.908 27.754 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -9.355 -15.243 30.457 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -8.527 -15.762 30.601 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -10.064 -15.822 30.805 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 7.100 -13.632 26.210 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 6.940 -12.878 26.818 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 6.374 -14.264 26.421 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -9.975 -11.764 27.628 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -9.863 -11.308 28.476 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -10.934 -11.776 27.488 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -1.684 -13.032 28.409 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -1.274 -13.307 27.565 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -1.795 -13.872 28.908 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -11.378 -16.860 31.503 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -12.034 -16.249 31.900 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -11.903 -17.388 30.873 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -8.864 -10.717 30.611 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -9.835 -10.816 30.611 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.703 -9.914 30.069 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -4.012 -10.722 15.372 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -4.476 -10.197 16.048 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -3.625 -10.054 14.772 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -10.306 -6.694 16.779 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -9.827 -6.700 17.618 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -11.251 -6.580 17.043 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 10.120 -8.962 25.560 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 10.796 -9.647 25.557 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 9.524 -9.208 24.824 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 6.743 -9.190 26.130 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 7.318 -8.586 26.656 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.681 -10.000 26.678 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 0.136 -15.029 32.117 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 0.759 -15.061 32.883 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -0.143 -14.079 32.079 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.520 -17.235 18.303 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 5.907 -16.338 18.198 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 4.568 -17.065 18.503 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 9.162 -23.509 31.425 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 9.955 -23.106 31.817 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 9.429 -24.423 31.234 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -9.616 -7.000 34.656 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -9.402 -6.101 34.911 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -10.074 -7.362 35.416 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -3.400 -6.921 28.556 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -3.766 -7.366 27.765 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -3.085 -7.649 29.109 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 1.231 -11.310 27.759 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 0.335 -11.407 27.402 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 1.733 -12.068 27.367 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -3.719 -9.616 30.098 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -4.036 -10.127 30.887 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -4.429 -9.723 29.451 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -7.766 -11.694 25.897 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -8.539 -11.579 26.482 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -7.731 -12.662 25.738 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -5.088 -14.575 21.072 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -5.726 -14.524 21.794 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.590 -15.399 21.250 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -8.065 -14.438 25.745 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -8.038 -15.292 25.315 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -8.627 -14.583 26.534 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -6.644 -12.299 13.547 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -6.941 -12.716 12.718 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -6.582 -11.350 13.326 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 4.499 -10.861 29.482 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 3.792 -11.263 30.019 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 4.043 -10.152 28.983 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -1.677 -18.774 39.174 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -1.842 -19.333 39.938 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -2.335 -19.069 38.512 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -9.565 -21.498 34.570 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -9.028 -20.676 34.545 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -10.307 -21.320 33.952 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -4.891 -23.841 38.623 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -5.715 -24.240 38.978 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.148 -23.506 37.740 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -0.385 -17.160 37.389 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -0.766 -17.581 38.194 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 0.140 -17.884 36.970 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -5.550 -20.112 35.545 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -6.472 -19.968 35.243 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -5.493 -21.081 35.687 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -2.261 -15.370 33.494 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -2.792 -15.909 32.868 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -1.376 -15.333 33.083 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -9.292 -13.553 32.679 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -9.217 -14.076 31.852 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -8.501 -12.982 32.671 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -7.207 -29.461 41.066 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -7.898 -29.659 41.718 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -7.579 -28.716 40.543 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -3.457 -16.990 31.624 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -3.695 -17.596 30.881 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -3.836 -17.432 32.421 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 1.125 -14.988 36.730 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 0.558 -15.774 36.906 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 1.358 -14.667 37.605 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 5.844 -31.089 33.036 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 6.316 -30.508 32.417 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 5.545 -31.832 32.482 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -8.066 -19.210 34.772 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -8.412 -18.687 34.011 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -8.095 -18.590 35.512 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -7.129 -25.218 39.765 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -7.853 -24.802 40.281 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -7.528 -26.045 39.423 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -1.761 -15.373 29.978 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -2.470 -15.869 30.435 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -1.026 -15.367 30.617 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -5.407 -22.860 36.067 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -6.395 -22.929 36.116 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -5.157 -23.529 35.404 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -2.486 -17.179 35.640 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -2.361 -16.444 35.003 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -1.726 -17.092 36.257 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -10.423 -23.945 37.336 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -10.836 -23.051 37.336 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -10.518 -24.252 36.402 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -2.575 -22.052 38.033 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -2.879 -21.179 37.707 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -3.392 -22.497 38.325 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -8.047 -23.114 36.151 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -8.597 -22.594 35.523 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -8.696 -23.495 36.772 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -3.356 -19.477 37.091 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -2.994 -18.710 36.602 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -4.196 -19.681 36.623 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -4.129 -18.892 29.855 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -4.919 -19.444 29.854 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -3.403 -19.513 29.635 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -4.495 -11.025 32.264 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -5.421 -11.300 32.437 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -3.957 -11.658 32.783 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 4.125 -20.775 30.578 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.327 -20.652 30.018 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 4.642 -19.959 30.431 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.854 -12.711 33.807 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -2.890 -12.567 34.760 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.801 -13.692 33.714 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 1.755 -14.382 34.155 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 1.532 -14.639 35.082 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 2.098 -13.487 34.236 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -7.261 -11.490 32.645 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -7.742 -11.251 31.816 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -7.641 -10.908 33.313 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -9.181 -17.409 33.089 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -9.254 -16.677 33.750 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -9.992 -17.317 32.542 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -2.227 -24.715 34.696 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -3.168 -24.872 34.905 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -1.909 -24.139 35.421 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -11.609 -11.007 30.124 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -12.128 -11.524 29.463 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -12.189 -10.272 30.355 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -9.312 -24.461 41.344 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -9.359 -24.922 42.217 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -9.543 -23.548 41.547 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -1.289 -10.936 30.046 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -2.150 -10.474 30.006 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -1.387 -11.681 29.404 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 1.959 -11.666 30.401 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.694 -11.542 29.463 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 1.223 -11.292 30.904 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -7.231 -16.773 31.166 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -6.296 -16.910 31.356 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -7.692 -17.125 31.952 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -0.621 -12.463 32.162 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -0.849 -11.867 31.416 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -1.398 -12.413 32.752 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -4.402 -18.100 33.912 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -4.873 -18.826 34.360 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -3.768 -17.777 34.585 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 4.297 -16.201 31.644 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 3.703 -15.460 31.390 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 5.152 -15.778 31.799 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -11.981 -13.171 31.961 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -11.841 -12.399 31.389 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -11.112 -13.313 32.387 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 4.052 -18.208 33.496 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 4.036 -17.551 32.764 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 3.426 -17.857 34.142 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 0.857 -19.285 36.306 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 1.223 -19.550 35.434 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 0.693 -20.119 36.756 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 2.069 -20.277 34.084 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 2.108 -21.243 34.203 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 2.971 -20.028 33.825 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 1.713 -22.999 34.954 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 0.835 -22.879 35.382 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 2.185 -23.596 35.553 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -11.394 -21.503 36.650 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -10.716 -21.502 35.946 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -11.957 -20.734 36.440 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.488 -23.190 29.251 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.196 -22.846 28.385 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 4.565 -22.393 29.808 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -10.654 -24.647 34.755 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -10.169 -24.480 33.924 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -11.571 -24.374 34.550 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -3.149 -24.627 40.627 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -3.707 -25.246 41.127 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -3.733 -24.304 39.914 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -0.856 -23.707 39.507 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -1.528 -24.143 40.078 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -1.331 -22.950 39.121 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 0.902 -24.700 37.720 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 1.118 -25.613 37.930 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 0.403 -24.381 38.512 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -0.212 -24.089 33.059 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -0.830 -24.473 33.721 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 0.466 -23.640 33.598 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -2.778 -0.661 -18.781 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -3.498 -0.867 -19.385 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -3.222 -0.274 -17.999 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -6.816 -2.971 -15.912 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -7.236 -2.253 -15.390 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -7.543 -3.313 -16.469 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.776 -4.173 -17.471 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -8.004 -4.719 -17.734 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -9.477 -4.822 -17.286 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -2.726 2.665 -12.194 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -2.416 3.415 -11.658 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -1.960 2.441 -12.758 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 3.290 -2.241 -13.357 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 2.349 -2.281 -13.602 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 3.690 -1.683 -14.057 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -1.242 -0.753 -14.581 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -1.461 -1.139 -15.456 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -0.289 -0.963 -14.466 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.938 -4.031 -17.420 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -3.617 -3.769 -18.092 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -2.394 -4.684 -17.879 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -10.938 -3.070 -15.476 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -11.221 -3.900 -15.906 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -10.810 -2.452 -16.217 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -4.929 -3.558 -19.191 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -5.538 -4.161 -18.710 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -5.380 -3.380 -20.021 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 6.625 0.340 -7.560 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 7.606 0.398 -7.489 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 6.379 1.131 -8.097 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -7.725 0.648 -12.391 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.780 0.926 -12.483 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -8.209 1.480 -12.345 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -5.919 3.874 -7.365 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -5.902 3.067 -6.784 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -6.747 4.312 -7.135 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -1.711 -10.890 -11.849 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -0.930 -10.984 -12.406 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -2.395 -10.524 -12.452 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -4.934 -8.137 -15.179 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -5.842 -7.962 -14.899 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -4.522 -7.240 -15.237 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 4.031 1.958 -13.643 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 3.128 2.256 -13.378 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 4.449 2.766 -14.021 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 3.953 -0.279 -15.197 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 4.628 -0.092 -15.859 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 3.973 0.511 -14.601 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 2.258 1.840 -8.748 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 3.060 1.770 -9.299 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 1.580 2.182 -9.363 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -6.320 0.969 -17.131 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -5.516 0.492 -16.837 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -6.021 1.873 -17.259 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -2.760 -1.598 -12.396 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -2.311 -1.401 -13.246 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -2.761 -0.753 -11.930 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -4.352 4.668 -9.664 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -4.801 4.736 -8.809 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -4.786 3.912 -10.098 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -7.096 -0.155 -9.683 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.293 -0.021 -10.631 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -7.950 -0.462 -9.303 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 6.054 4.031 -6.641 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 6.005 3.737 -7.575 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 5.556 3.350 -6.152 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -1.774 4.868 -10.523 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -2.733 4.925 -10.292 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -1.463 5.804 -10.493 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -6.340 -5.385 -17.726 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -5.916 -6.261 -17.882 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -6.126 -5.178 -16.801 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -12.724 -6.424 -19.818 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -13.686 -6.403 -19.982 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -12.470 -5.483 -19.759 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -4.187 -2.413 -15.528 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -3.732 -2.995 -16.162 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -5.138 -2.651 -15.623 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -11.953 -3.774 -19.426 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -11.487 -3.121 -18.855 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -11.767 -3.472 -20.323 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -1.067 -1.891 -17.070 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -1.568 -2.725 -17.090 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -1.455 -1.364 -17.803 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.690 1.650 -5.886 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -4.749 1.384 -5.834 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.158 0.974 -5.352 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -3.822 0.104 -16.344 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -3.972 -0.809 -15.993 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -3.316 0.541 -15.649 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -5.108 -7.817 -17.940 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -5.042 -8.617 -18.471 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -4.921 -8.115 -17.030 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 1.578 2.627 -12.734 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 1.335 2.798 -11.804 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 0.736 2.363 -13.155 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -5.292 1.743 -12.274 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -5.526 2.077 -11.383 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -4.360 2.029 -12.397 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -8.900 0.180 -17.052 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -9.328 0.976 -17.386 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -7.933 0.380 -17.116 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -7.926 -1.662 -6.584 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -7.623 -1.026 -5.899 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -8.487 -1.128 -7.180 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -0.907 4.058 -7.964 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -1.245 4.457 -8.790 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -1.707 3.962 -7.402 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 6.068 2.579 -8.996 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 5.442 2.380 -9.725 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 6.950 2.616 -9.436 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -0.771 1.896 -14.007 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -0.653 2.250 -14.896 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -0.977 0.946 -14.151 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 0.336 3.102 -10.277 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 0.060 3.205 -9.347 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -0.289 3.669 -10.768 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 1.704 6.571 -8.113 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 0.875 6.985 -7.790 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 1.636 6.628 -9.075 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -8.164 -5.977 -13.211 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -8.980 -6.470 -12.976 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -8.489 -5.096 -13.484 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -3.258 3.969 -6.560 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -4.135 3.928 -6.993 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -3.385 4.614 -5.830 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 1.519 4.090 -6.747 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 1.972 4.848 -7.166 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 0.623 4.095 -7.157 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -6.686 -0.526 -4.452 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -7.282 -0.908 -3.776 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -5.825 -0.971 -4.290 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -5.359 -1.659 -7.737 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -6.115 -1.820 -7.145 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -5.657 -0.936 -8.310 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 1.250 3.597 -4.113 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 1.267 3.961 -5.027 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 2.139 3.814 -3.754 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 5.153 4.210 -14.729 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 5.174 5.053 -14.264 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 5.601 4.387 -15.563 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -8.161 -1.056 -14.530 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -8.498 -0.508 -15.266 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -8.015 -0.417 -13.799 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 5.142 1.570 -5.591 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 5.720 1.093 -6.222 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 5.389 1.200 -4.715 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 8.354 2.916 -5.560 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 8.344 3.363 -4.694 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 7.673 3.393 -6.077 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 1.343 -1.306 -15.195 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 2.208 -0.895 -15.396 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 0.944 -1.467 -16.066 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 4.258 1.529 -10.800 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 4.301 0.558 -10.898 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 4.151 1.854 -11.716 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -10.715 -4.853 -6.214 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -9.921 -4.694 -5.654 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -10.608 -4.224 -6.958 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 2.113 -2.537 -7.680 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 2.280 -3.447 -7.363 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 2.965 -2.255 -8.069 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -10.422 -7.017 -12.144 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -11.307 -7.095 -12.562 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -10.516 -6.267 -11.527 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -9.229 -3.375 -13.395 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -9.912 -3.369 -14.106 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -8.686 -2.586 -13.589 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 3.968 -4.106 -11.366 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 3.674 -3.663 -12.185 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 4.362 -3.398 -10.844 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -10.323 -2.015 -18.004 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -9.649 -2.723 -17.889 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -9.853 -1.194 -17.748 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.836 7.378 -10.038 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.820 7.587 -9.079 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.967 8.231 -10.463 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 1.525 -7.208 -8.263 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 2.165 -6.991 -8.985 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 0.672 -6.848 -8.584 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -3.784 -9.737 -13.252 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -4.432 -10.455 -13.251 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -4.051 -9.177 -14.015 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -10.034 -10.312 -14.592 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -10.244 -10.611 -15.504 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -10.321 -9.379 -14.584 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.917 -5.647 -15.345 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.574 -5.063 -16.046 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -3.331 -5.468 -14.575 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 3.639 7.591 -6.409 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 3.037 7.279 -7.111 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 3.181 7.357 -5.581 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 0.286 -2.582 6.737 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -0.433 -2.251 7.287 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 1.053 -2.654 7.363 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 3.883 4.301 3.911 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 4.054 3.562 4.545 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 4.147 5.090 4.395 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -0.476 -4.820 5.283 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -0.117 -4.075 5.817 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 0.319 -5.290 4.962 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 3.172 -4.168 4.625 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 3.872 -4.045 3.951 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 2.646 -3.340 4.577 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -7.863 -2.612 -0.456 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -8.121 -2.483 -1.396 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -8.071 -1.744 -0.032 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -1.687 2.558 -0.128 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -1.212 2.154 -0.894 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -2.264 3.223 -0.535 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 6.734 -7.225 5.688 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 7.694 -7.157 5.743 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 6.546 -8.165 5.935 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 4.478 -5.894 6.777 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 4.229 -5.149 6.200 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 5.342 -6.195 6.424 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -6.568 -6.559 2.767 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -5.884 -6.200 3.371 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -7.055 -5.758 2.447 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 2.919 6.082 -0.256 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 2.029 5.708 -0.378 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 3.364 5.442 0.320 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 0.753 4.247 -0.073 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 0.019 3.673 0.208 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 1.495 3.989 0.509 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -2.863 3.879 -2.746 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -1.980 4.290 -2.611 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -3.313 4.488 -3.363 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 2.889 -7.002 -3.406 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 2.485 -7.307 -2.563 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 3.383 -6.200 -3.157 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -0.886 1.289 2.259 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -1.236 1.801 1.505 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -0.254 1.906 2.695 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.846 4.369 -3.485 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 4.210 3.503 -3.234 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.584 4.996 -3.312 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -0.102 7.462 -3.732 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -0.404 6.730 -3.153 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 0.844 7.250 -3.903 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 3.871 7.989 -1.958 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 3.535 7.358 -1.274 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 3.932 8.832 -1.493 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -7.805 -4.329 1.727 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -8.414 -3.841 2.292 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.820 -3.835 0.879 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -0.003 -8.634 6.374 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 0.955 -8.443 6.320 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -0.103 -9.093 7.242 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 3.207 -3.931 10.747 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.324 -3.987 11.714 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 3.730 -4.683 10.399 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -3.760 -1.937 -0.159 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -4.548 -2.477 -0.372 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -4.108 -1.026 -0.070 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 1.557 -1.962 4.393 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 0.996 -2.069 5.193 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 0.918 -1.765 3.674 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -7.860 -7.181 -5.017 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -7.295 -7.538 -4.310 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -8.758 -7.157 -4.612 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -4.859 -6.252 0.695 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -4.025 -6.631 1.061 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -5.527 -6.443 1.383 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -1.268 -2.822 0.383 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -2.189 -2.478 0.294 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -0.868 -2.256 1.079 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -5.526 -3.983 -0.820 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.432 -3.616 -0.709 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.476 -4.707 -0.159 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -2.356 -4.348 3.341 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -1.713 -4.396 4.084 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -2.463 -3.401 3.179 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -4.516 -7.092 -1.815 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -4.363 -6.289 -2.329 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -4.637 -6.764 -0.892 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -0.683 1.632 -2.466 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -1.528 1.257 -2.773 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -0.254 1.946 -3.276 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 2.995 -1.922 -0.249 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 3.388 -2.758 0.079 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 3.436 -1.235 0.264 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -0.391 5.010 -2.445 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 0.019 4.835 -1.569 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 0.165 4.498 -3.073 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 1.023 3.000 3.167 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 1.233 3.462 3.988 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 1.740 3.256 2.561 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -4.186 -1.531 -3.809 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -3.894 -0.765 -3.285 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -3.862 -2.304 -3.305 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -4.110 0.863 -0.224 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -3.288 1.244 0.126 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -3.990 0.890 -1.197 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -2.945 1.446 -5.578 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -2.004 1.190 -5.608 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -2.966 2.335 -5.996 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -3.813 5.810 -4.585 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -4.631 6.229 -4.295 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -3.229 6.566 -4.826 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -8.501 -0.182 0.541 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -7.774 0.483 0.597 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -9.288 0.310 0.784 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 2.245 -2.582 8.583 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 2.865 -1.850 8.660 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 2.456 -3.157 9.357 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 1.975 -6.098 1.235 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 1.055 -5.751 1.194 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 2.117 -6.274 2.183 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 0.238 9.670 -5.453 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 0.216 9.059 -4.692 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 1.021 10.210 -5.301 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -0.648 -5.276 1.353 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -1.161 -5.028 2.149 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -0.755 -4.502 0.755 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -2.509 -7.296 1.623 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -2.126 -7.761 2.384 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -1.848 -6.612 1.404 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -2.328 8.014 -5.182 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -1.520 7.808 -4.654 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -2.362 8.980 -5.191 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 4.609 -5.978 9.556 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 4.639 -5.727 8.610 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 4.247 -6.887 9.545 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 4.264 2.301 5.676 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 4.606 2.040 6.534 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 3.943 1.460 5.278 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -6.570 1.705 0.726 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -5.719 1.365 0.376 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -6.333 2.521 1.173 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -8.380 -3.876 -5.128 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -8.285 -3.099 -5.727 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -7.489 -4.283 -5.128 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -7.915 -8.152 4.615 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -7.920 -9.052 4.227 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -7.606 -7.581 3.883 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -6.058 2.425 -9.745 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -6.367 1.511 -9.570 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -6.082 2.856 -8.871 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 2.507 6.765 -4.005 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 2.882 5.867 -3.907 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 2.982 7.296 -3.329 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -3.332 -3.760 -2.406 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -4.193 -3.868 -1.941 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -2.788 -3.254 -1.779 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -3.417 1.182 -2.918 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -3.346 2.148 -2.735 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -3.429 1.130 -3.900 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -4.010 -7.396 8.161 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -3.222 -7.222 7.606 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -4.763 -7.186 7.574 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 3.151 -6.062 15.646 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 4.057 -5.740 15.468 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 3.153 -6.979 15.303 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 2.487 -8.235 11.823 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 2.376 -9.144 11.456 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 2.503 -7.669 11.044 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -2.808 -8.530 11.004 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -2.678 -7.867 10.314 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -3.628 -8.981 10.748 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -3.121 -8.635 13.779 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -3.998 -8.209 13.708 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -2.783 -8.643 12.857 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 6.118 2.963 -2.117 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 6.813 3.466 -2.597 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 6.015 3.440 -1.285 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 3.090 3.620 1.425 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 3.505 3.986 2.244 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 3.335 2.666 1.439 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 6.103 0.455 -3.182 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 7.058 0.341 -3.140 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 5.939 1.290 -2.687 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 0.027 -1.234 2.203 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -0.424 -0.363 2.347 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 0.738 -1.028 1.579 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 3.521 -0.065 4.539 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 2.792 -0.714 4.643 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 4.188 -0.540 4.004 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 3.940 -11.188 13.666 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 3.137 -11.726 13.735 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 4.164 -11.221 12.708 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 5.143 -6.572 3.579 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 4.673 -7.420 3.473 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 5.804 -6.753 4.280 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 6.558 -5.519 11.501 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 6.820 -6.448 11.655 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 5.875 -5.577 10.803 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 2.072 -3.365 -2.356 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 2.869 -3.878 -2.579 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.371 -2.757 -1.644 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -9.634 -8.143 7.085 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -10.475 -7.654 7.267 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -9.438 -7.946 6.152 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 5.814 -9.452 10.449 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 5.174 -8.906 9.947 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.267 -10.207 10.786 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 6.271 -9.794 6.418 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 5.681 -10.455 6.008 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 6.612 -10.242 7.219 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -10.136 -7.508 -3.556 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -10.973 -7.223 -3.974 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -10.420 -7.974 -2.749 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -5.605 -9.415 2.040 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -5.842 -8.511 2.300 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -6.321 -9.966 2.416 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 1.650 -6.379 4.121 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 1.988 -7.012 4.788 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 2.228 -5.588 4.229 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 1.764 -7.733 -1.024 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 1.970 -7.138 -0.274 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 1.068 -8.329 -0.668 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -0.595 -2.748 -2.279 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 0.369 -2.900 -2.392 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -0.705 -2.625 -1.314 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -0.600 7.928 -7.388 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -1.377 7.667 -6.861 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -0.218 8.683 -6.885 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -8.768 -6.034 10.744 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -8.236 -5.261 10.951 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -8.286 -6.470 10.011 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -5.566 -8.791 9.948 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -4.905 -8.305 9.409 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -6.408 -8.325 9.764 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 3.220 -5.660 23.245 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 3.781 -5.542 24.035 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 3.778 -5.341 22.500 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -0.055 -1.143 26.917 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -0.578 -1.455 27.690 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -0.283 -0.213 26.839 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 0.756 -6.229 20.384 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 1.196 -5.355 20.517 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.491 -6.831 20.131 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 3.587 -3.229 27.837 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 2.961 -3.072 28.570 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 4.368 -3.633 28.275 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 1.897 -7.929 24.005 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 2.288 -7.167 23.525 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 2.625 -8.246 24.571 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -4.181 -8.492 26.389 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -4.875 -9.087 26.019 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -4.190 -7.716 25.780 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 0.868 -5.157 27.956 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 1.063 -4.583 28.731 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 1.109 -4.600 27.185 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 3.188 -3.985 13.607 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 2.585 -3.248 13.757 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 2.795 -4.723 14.111 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -1.037 -5.536 22.274 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.400 -5.058 22.851 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -0.509 -5.766 21.477 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -3.681 -4.862 22.326 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -2.734 -5.134 22.257 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -3.641 -3.951 22.636 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -4.956 -10.585 20.406 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -5.133 -10.595 21.352 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -4.343 -9.820 20.284 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -1.890 -4.666 28.047 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -2.459 -5.452 28.212 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -0.981 -5.005 28.146 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 2.905 -7.680 19.339 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 3.780 -8.102 19.391 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 3.086 -6.812 18.928 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -0.397 -7.350 26.818 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -0.512 -7.907 27.621 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 0.141 -6.599 27.132 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -1.215 -7.336 18.870 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -0.628 -6.840 19.483 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -0.607 -7.726 18.232 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -5.068 -6.152 20.391 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -5.743 -5.530 20.107 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -4.596 -5.682 21.115 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -1.211 -2.212 29.120 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -1.646 -2.998 28.722 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -1.170 -2.422 30.075 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -3.559 -8.363 19.835 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -2.687 -8.013 19.542 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -4.094 -7.555 20.014 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -5.609 -7.656 14.399 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -5.116 -7.568 15.240 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -6.490 -7.264 14.596 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 4.074 -5.628 26.009 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 3.801 -5.966 26.890 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 4.220 -4.681 26.158 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -6.110 -9.781 24.998 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -6.755 -9.414 24.387 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -6.576 -10.553 25.402 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -4.077 -6.434 24.637 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -4.285 -6.025 23.777 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -3.334 -5.890 24.984 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -2.038 -10.328 26.644 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -2.741 -9.651 26.602 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -2.435 -11.054 27.139 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 1.428 -3.112 29.683 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 1.124 -3.225 30.602 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 0.799 -2.473 29.305 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -0.734 -3.276 31.629 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -0.930 -3.045 32.543 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -1.365 -4.009 31.425 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -2.118 -7.852 31.489 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -2.727 -8.498 31.073 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -2.184 -8.038 32.434 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -2.560 -5.190 31.066 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -2.352 -6.137 31.208 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -3.171 -5.193 30.316 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 3.734 -8.441 14.223 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 3.244 -8.242 13.387 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 3.795 -9.421 14.230 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 0.744 -4.865 24.161 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 1.577 -5.141 23.715 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 1.042 -4.206 24.830 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 1.517 -3.185 26.102 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 0.989 -2.370 26.284 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 2.370 -3.026 26.569 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 3.743 -5.302 18.311 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 4.690 -5.436 18.103 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 3.297 -5.374 17.442 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 5.293 -4.905 29.099 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 6.052 -5.419 29.383 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 4.576 -5.569 28.996 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 5.473 -4.672 15.115 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 4.853 -4.242 14.491 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 6.337 -4.642 14.650 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -8.229 -7.114 15.013 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -8.982 -6.694 15.481 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -8.645 -7.825 14.485 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 4.232 -8.355 25.461 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 4.231 -7.376 25.548 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 5.151 -8.615 25.714 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -1.848 -5.084 25.305 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -0.957 -4.836 24.998 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -1.894 -4.732 26.219 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 4.949 -10.740 24.034 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 4.222 -11.361 24.239 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 4.637 -9.884 24.376 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 4.419 -4.683 20.939 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 5.362 -4.430 20.804 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 4.104 -4.907 20.036 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 -7.783 -8.438 17.429 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 -7.823 -7.965 16.576 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 -6.932 -8.925 17.393 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -10.860 -9.208 15.886 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -10.260 -9.413 15.137 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -10.589 -8.307 16.170 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -5.359 -9.724 17.722 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -4.729 -8.982 17.622 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -5.244 -10.011 18.651 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -6.667 -9.614 12.711 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -6.268 -9.423 11.843 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -6.240 -8.971 13.318 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -3.681 -7.815 16.446 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -3.130 -8.020 15.665 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -3.066 -7.400 17.069 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 -0.496 -8.393 29.313 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 -0.816 -8.029 30.158 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 -0.518 -9.359 29.446 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 3.228 -6.601 28.454 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 2.306 -6.279 28.435 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 3.140 -7.582 28.421 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 12.063 -29.150 11.112 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 12.190 -28.328 10.586 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 12.828 -29.689 10.893 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.065 -30.249 7.599 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 9.572 -30.335 8.433 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 9.578 -30.810 6.978 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.013 -27.680 7.168 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 10.123 -27.273 7.220 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.841 -28.643 7.270 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 4.704 -33.609 5.184 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 5.228 -34.163 4.599 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 5.009 -32.692 4.982 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 5.145 -27.102 2.561 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 5.011 -26.124 2.552 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 5.870 -27.249 1.919 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 7.569 -31.766 7.054 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 7.786 -31.312 7.888 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 6.845 -32.383 7.303 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 8.044 -30.591 9.532 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 7.526 -29.756 9.590 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 7.541 -31.217 10.079 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 9.502 -29.748 11.773 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 9.173 -30.037 10.905 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 10.445 -29.515 11.607 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 4.247 -33.248 12.152 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 3.846 -33.546 12.982 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 3.989 -33.933 11.505 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 7.385 -26.339 -1.442 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 6.598 -26.552 -2.001 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 8.096 -26.202 -2.079 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 7.353 -27.708 0.927 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 7.382 -27.122 0.136 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 7.504 -28.591 0.571 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 6.289 -28.569 10.167 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 6.306 -28.993 11.039 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 5.431 -28.855 9.782 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 12.570 -27.092 9.377 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 12.005 -27.277 8.595 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 13.221 -26.466 9.053 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 10.765 -25.743 4.661 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 11.045 -26.420 5.296 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 10.075 -26.183 4.133 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 8.511 -26.603 7.066 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 7.971 -27.119 6.453 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 8.454 -25.680 6.718 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 6.451 -28.252 4.686 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 7.299 -27.929 4.318 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 5.788 -27.990 4.012 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 7.240 -32.864 20.640 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 7.641 -32.283 21.333 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 7.973 -33.050 20.041 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 12.128 -30.655 28.393 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 12.489 -31.460 28.008 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.689 -30.962 29.225 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 5.605 -31.389 16.817 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 5.838 -31.027 15.937 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 5.390 -30.594 17.355 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.847 -31.617 20.657 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 11.249 -30.832 20.219 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.530 -32.290 20.602 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.892 -28.556 25.306 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 12.476 -28.287 26.031 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 11.086 -28.881 25.756 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 5.476 -34.545 26.436 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 4.894 -34.301 25.687 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 6.036 -35.243 26.083 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 5.476 -34.304 22.185 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 5.643 -35.138 21.735 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 6.044 -33.658 21.709 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.788 -31.522 22.423 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 9.135 -31.231 23.271 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 9.568 -31.496 21.820 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 12.285 -29.623 19.423 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 12.284 -28.803 19.954 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.227 -29.305 18.496 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 15.642 -29.016 26.211 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 15.660 -28.085 25.893 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 15.880 -29.535 25.430 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 12.462 -26.972 20.326 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 12.300 -26.556 19.462 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 13.377 -26.711 20.549 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 12.213 -28.169 17.063 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 12.133 -27.222 17.305 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 12.619 -28.156 16.192 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 8.313 -29.219 14.128 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 8.693 -29.386 13.228 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 9.080 -29.221 14.710 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 10.556 -25.853 30.863 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.260 -25.983 31.536 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.976 -25.264 30.196 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 5.524 -20.845 15.496 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 5.988 -21.500 16.066 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 5.650 -21.192 14.584 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 5.863 -30.303 14.236 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 6.796 -29.991 14.268 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 5.743 -30.594 13.304 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 10.804 -31.726 30.463 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.849 -31.653 30.227 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 10.798 -32.058 31.364 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.530 -28.401 27.805 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.065 -29.225 28.084 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 14.312 -28.727 27.303 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 17.784 -27.285 30.453 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 18.629 -27.715 30.602 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 17.658 -27.331 29.476 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 17.297 -27.416 27.786 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 16.847 -28.219 27.467 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 17.102 -26.752 27.104 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 12.593 -28.693 22.676 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 12.124 -27.927 22.315 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 12.323 -28.719 23.622 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 14.856 -29.085 21.304 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.560 -29.570 20.520 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 14.039 -29.017 21.864 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.088 -25.319 31.918 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.970 -25.707 31.760 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.203 -24.380 31.707 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 9.992 -29.268 27.145 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 10.547 -29.921 27.608 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.163 -28.430 27.624 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.819 -17.243 3.997 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.289 -16.850 3.271 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 8.725 -16.606 4.731 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 7.538 -19.707 0.334 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.139 -19.809 1.104 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 7.798 -18.848 -0.058 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 4.871 -19.120 0.835 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 4.783 -19.745 1.589 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 5.822 -19.158 0.607 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 11.937 -20.114 3.041 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.518 -20.799 2.690 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.833 -20.350 3.992 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 12.076 -17.362 3.060 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 12.199 -18.332 3.049 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 11.516 -17.185 2.268 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.743 -23.221 5.849 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 9.826 -23.397 6.130 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.980 -24.012 5.318 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 8.866 -13.482 4.563 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 9.128 -12.863 5.271 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 8.756 -14.338 5.030 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 11.444 -20.584 5.661 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 11.308 -21.552 5.808 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.559 -20.192 5.834 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.121 -15.590 6.172 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 7.702 -16.454 6.420 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 8.330 -15.176 7.036 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 4.956 -14.882 2.428 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 5.251 -14.430 3.242 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 5.745 -15.386 2.139 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 12.304 -14.687 2.220 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 12.344 -15.585 2.606 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 13.222 -14.467 2.038 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 11.469 -13.805 7.834 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 12.216 -13.340 7.449 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 10.692 -13.271 7.575 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 6.524 -21.988 5.881 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 6.290 -21.142 6.344 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 5.656 -22.307 5.522 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.073 -14.596 8.741 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.384 -14.129 9.259 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.065 -15.510 9.104 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.579 -14.819 -0.642 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 9.735 -14.079 -1.239 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 9.574 -14.410 0.254 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 6.149 -13.799 4.702 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 6.371 -14.485 5.354 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.023 -13.459 4.413 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 7.787 -17.179 9.537 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 7.354 -17.506 8.712 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 8.585 -17.728 9.617 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 8.446 -26.807 3.350 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 8.246 -27.119 2.444 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 8.208 -25.853 3.332 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 9.214 -19.091 6.019 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 9.367 -18.492 5.261 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 8.338 -18.805 6.373 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 10.681 -17.049 0.742 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.955 -17.571 0.376 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 10.668 -16.229 0.219 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 4.475 -24.491 2.731 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 3.702 -24.348 3.330 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 5.145 -23.874 3.066 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 3.739 -20.662 -1.113 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 4.052 -19.895 -0.588 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 2.903 -20.351 -1.517 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.290 -19.531 2.484 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.214 -18.686 2.974 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 10.243 -19.758 2.546 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 6.910 -14.825 18.002 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 7.591 -14.748 17.310 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 7.389 -14.614 18.831 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.960 -18.724 8.616 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 10.456 -17.872 8.603 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.813 -18.926 7.665 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 9.629 -14.093 1.989 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 10.597 -14.256 2.097 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 9.350 -13.739 2.862 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 6.601 -17.046 -2.868 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 6.196 -17.805 -3.299 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 6.463 -16.306 -3.501 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 7.619 -20.385 8.861 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.357 -19.785 8.662 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 6.904 -20.103 8.236 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 5.940 -13.312 9.856 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 5.269 -13.868 9.437 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 5.414 -12.677 10.408 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.004 -17.073 -0.544 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.581 -16.295 -0.707 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 7.435 -17.121 -1.351 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 7.678 -24.178 3.131 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.487 -24.337 2.175 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 7.688 -23.198 3.209 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 7.523 -15.932 1.947 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 7.574 -16.410 1.092 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.236 -15.260 1.889 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 6.421 -8.182 14.613 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 6.786 -8.134 13.701 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 5.446 -8.163 14.479 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 7.429 -8.058 12.076 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 6.832 -8.617 11.521 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 8.312 -8.382 11.870 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 11.479 -16.465 8.478 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 11.449 -15.490 8.332 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 11.759 -16.826 7.604 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 12.047 -19.992 9.880 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 12.204 -20.626 9.174 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 11.240 -19.514 9.596 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.262 -23.002 9.354 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 9.174 -22.811 9.583 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 7.887 -22.127 9.106 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 11.999 -17.652 5.992 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 12.066 -17.319 5.077 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 12.006 -18.618 5.895 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 7.517 -19.950 11.731 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 7.470 -20.158 10.775 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 8.416 -19.575 11.851 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 6.029 -21.861 13.072 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 6.480 -21.197 12.510 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 6.728 -22.536 13.249 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.120 -24.172 5.925 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 8.001 -24.287 4.960 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 7.521 -23.423 6.150 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 6.060 -22.024 -0.433 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 6.673 -21.306 -0.171 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 5.288 -21.552 -0.808 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.938 -11.201 13.861 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 9.569 -11.806 14.269 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.093 -11.293 12.917 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 7.042 -24.384 0.525 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 7.107 -24.967 -0.254 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 6.729 -23.525 0.160 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 7.431 -25.603 9.450 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 7.719 -24.664 9.503 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.030 -25.998 8.789 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.053 -23.544 13.683 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.637 -23.350 14.446 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.360 -24.395 13.359 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 7.336 -21.696 24.998 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 7.535 -21.340 24.111 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 6.589 -22.309 24.846 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 14.746 -14.359 23.538 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.862 -14.212 23.942 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 15.080 -13.474 23.374 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 6.275 -18.274 15.806 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 5.900 -19.189 15.777 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.020 -17.941 16.694 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.837 -17.788 22.397 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.637 -18.075 21.474 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.031 -17.347 22.688 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 16.230 -25.004 22.691 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 15.465 -24.620 23.177 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 16.999 -24.602 23.106 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 11.047 -23.567 19.431 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 10.714 -24.082 20.178 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 10.551 -22.717 19.486 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 6.825 -22.858 16.745 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 7.750 -22.922 16.435 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 6.678 -23.694 17.230 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 12.848 -18.661 20.775 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 13.398 -19.405 21.093 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 13.195 -17.883 21.264 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 12.200 -14.344 24.626 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 12.235 -15.303 24.819 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 11.255 -14.163 24.482 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 16.525 -28.372 23.376 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 15.893 -28.676 22.688 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 17.390 -28.523 22.985 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.330 -18.619 19.772 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 10.130 -17.666 19.709 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 11.261 -18.644 20.104 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.638 -16.547 22.331 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 13.036 -16.734 23.073 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 14.266 -15.883 22.697 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 7.687 -20.604 22.368 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 7.930 -19.700 22.646 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 7.133 -20.467 21.585 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 11.572 -18.359 16.767 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 12.420 -18.392 17.227 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 11.817 -18.247 15.816 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 4.852 -15.107 26.729 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 4.579 -15.641 25.952 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 4.353 -15.502 27.477 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.035 -8.793 20.983 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.686 -9.467 20.716 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 7.872 -8.985 21.927 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 10.139 -16.225 22.517 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.412 -16.870 22.626 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 9.962 -15.546 23.198 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 14.254 -25.851 28.574 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 14.168 -26.788 28.295 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 14.821 -25.889 29.376 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 15.960 -26.461 25.329 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 16.218 -26.920 24.500 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 15.348 -25.769 25.035 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.649 -21.223 19.944 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.076 -21.272 20.725 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.968 -20.289 19.941 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 17.172 -20.352 33.806 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 17.395 -19.456 34.080 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 17.699 -20.916 34.383 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 13.367 -18.667 11.844 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 12.907 -19.266 11.207 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 14.296 -18.908 11.764 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 13.898 -21.141 24.267 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.999 -20.831 23.341 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.068 -22.096 24.216 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 13.683 -22.699 19.930 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.180 -23.397 19.460 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 12.748 -22.917 19.756 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.984 -20.599 17.083 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 9.827 -20.779 18.028 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 10.568 -19.806 17.084 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 12.291 -17.819 14.236 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 12.716 -18.177 13.427 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 12.078 -16.897 14.006 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 14.167 -24.133 24.265 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 14.086 -23.982 25.236 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 13.237 -24.263 23.967 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 9.522 -18.257 12.396 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 10.268 -17.697 12.108 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 9.713 -18.451 13.338 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 6.762 -17.891 32.800 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 7.269 -18.078 33.593 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 5.843 -18.125 33.042 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 14.496 -20.715 21.601 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 15.390 -20.577 21.268 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 14.137 -21.443 21.035 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 12.257 -25.525 17.907 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 13.186 -25.206 17.948 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 11.740 -24.802 18.322 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.109 -15.840 19.854 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 9.523 -15.055 19.880 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 10.245 -16.066 20.809 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 4.272 -18.437 26.868 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 4.247 -17.842 26.094 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 5.064 -18.969 26.733 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 16.809 -21.479 29.620 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 17.695 -21.120 29.726 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 16.395 -21.364 30.502 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 12.382 -11.956 20.973 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.715 -11.650 20.107 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 12.566 -12.923 20.969 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 12.669 -14.638 20.506 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 13.123 -15.277 21.089 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 11.922 -15.138 20.145 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.738 -6.268 20.116 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.422 -6.051 20.760 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.422 -7.158 20.393 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 7.177 -12.342 23.847 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 7.133 -12.848 24.693 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 6.327 -11.846 23.823 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 9.006 -15.740 14.470 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.864 -15.474 14.077 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 9.226 -15.950 15.399 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 10.009 -16.097 17.065 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 10.481 -16.933 16.850 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 10.084 -16.029 18.039 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 8.907 -18.921 15.056 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 8.060 -18.742 15.504 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.326 -19.610 15.607 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 14.004 -23.674 26.907 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 14.243 -24.449 27.465 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 14.347 -22.903 27.408 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 13.876 -19.494 26.500 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 13.945 -19.933 25.619 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 14.182 -20.183 27.133 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.173 -11.898 18.731 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 11.110 -11.751 18.475 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 10.081 -11.413 19.577 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.508 -23.056 15.980 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.710 -22.130 16.253 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 10.238 -23.572 16.339 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 2.495 -14.306 30.793 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 1.656 -14.576 31.215 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 2.415 -13.328 30.705 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 8.445 -13.625 19.975 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 9.028 -13.015 19.469 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 8.379 -13.215 20.850 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 2.918 -15.767 28.560 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 2.206 -15.424 28.009 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 2.829 -15.271 29.402 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 11.503 -15.176 13.449 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 12.202 -14.516 13.414 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 11.508 -15.583 12.550 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 11.570 -16.697 11.236 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 11.533 -16.544 10.264 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 12.269 -17.376 11.344 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 12.435 -17.106 24.973 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 11.682 -17.705 25.076 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 13.185 -17.603 25.334 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 10.191 -18.782 29.075 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 10.603 -18.954 29.929 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 9.251 -18.620 29.292 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 15.350 -21.000 31.877 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 15.960 -20.836 32.632 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 14.849 -20.152 31.787 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 14.403 -21.418 28.391 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 15.333 -21.419 28.727 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 13.865 -21.581 29.186 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.423 -24.223 23.745 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 10.969 -23.379 23.660 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 10.726 -24.885 23.601 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 15.679 -25.658 30.945 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 16.376 -26.357 30.876 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 16.163 -24.871 31.217 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 12.815 -11.128 18.370 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 13.586 -11.156 17.797 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 12.627 -10.160 18.475 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 5.679 -8.214 19.085 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 6.399 -8.334 19.730 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.913 -7.387 18.615 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.164 -9.777 23.748 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 7.579 -9.404 24.444 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 7.883 -10.715 23.683 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 7.102 -18.757 19.967 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 6.437 -18.317 19.389 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 7.803 -19.026 19.358 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 9.358 -14.164 24.289 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 8.924 -13.430 23.823 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 8.830 -14.272 25.101 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 9.895 -10.991 21.358 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 9.787 -10.663 22.260 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 10.831 -11.321 21.333 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 15.187 -26.429 20.630 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 15.612 -25.947 21.381 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 15.267 -27.374 20.878 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 14.824 -24.801 18.509 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 14.979 -25.413 19.272 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 15.668 -24.789 18.042 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 9.050 -13.499 16.741 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 9.518 -12.899 17.365 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 9.592 -14.316 16.742 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 13.325 -22.588 30.910 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 12.569 -22.290 31.469 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 14.103 -22.122 31.293 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 11.170 -19.494 26.618 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 12.131 -19.315 26.650 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 10.838 -19.189 27.498 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 9.098 -20.576 31.495 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 8.496 -19.934 31.065 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 8.680 -21.441 31.331 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 14.041 -18.652 31.549 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 13.943 -18.450 30.589 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 13.684 -17.877 31.990 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 7.570 -18.576 30.272 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 7.391 -18.229 31.174 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 6.695 -18.538 29.830 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.239 -21.909 32.496 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 10.557 -21.289 32.144 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 11.295 -21.690 33.433 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 4.879 -18.219 29.641 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 4.474 -17.495 30.154 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 4.478 -18.137 28.751 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 13.766 -17.971 28.910 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 13.616 -17.076 28.586 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 13.938 -18.491 28.104 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 7.955 -27.177 31.204 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.863 -26.907 30.981 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 7.729 -26.635 31.967 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 12.103 -24.330 29.176 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 12.845 -24.929 28.931 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 12.518 -23.667 29.771 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 8.676 2.202 -9.662 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 9.489 2.468 -10.102 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 8.979 1.773 -8.834 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 6.111 6.657 -5.674 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 6.164 5.796 -6.135 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 5.365 7.119 -6.114 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 9.294 1.017 -7.251 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 9.040 1.699 -6.580 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 10.120 0.653 -6.915 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 4.526 -1.399 -8.563 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 4.519 -1.334 -9.541 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 5.201 -0.754 -8.288 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 4.733 -1.164 -11.309 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 5.578 -1.085 -11.772 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 4.115 -1.514 -11.993 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 5.251 -1.197 2.679 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 5.163 -2.179 2.666 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 6.203 -1.048 2.726 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 3.534 0.930 1.911 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 3.100 0.840 2.777 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 4.276 0.300 1.954 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 5.765 6.287 -3.064 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 5.902 6.595 -3.997 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 5.245 7.007 -2.649 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 5.066 -3.950 2.617 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 5.302 -4.850 2.940 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 4.762 -4.102 1.693 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 4.517 -4.837 -2.541 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 4.890 -3.954 -2.795 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 5.229 -5.459 -2.749 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 5.907 -1.945 -6.074 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 6.346 -1.184 -6.493 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 5.347 -2.309 -6.774 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 5.526 -2.411 -3.398 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 5.604 -1.479 -3.131 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 5.700 -2.394 -4.365 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 7.932 4.640 -3.370 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 8.710 5.200 -3.475 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 7.185 5.279 -3.305 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 3.973 -4.476 0.204 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 3.276 -5.115 0.471 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 4.190 -4.728 -0.717 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 7.152 -11.075 8.693 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 6.830 -10.386 9.314 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 6.793 -11.908 9.059 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 7.814 -4.621 13.702 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 8.375 -3.893 13.411 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 7.379 -4.938 12.869 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 12.248 -8.518 18.538 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 11.367 -8.200 18.226 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 12.767 -7.716 18.627 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 6.250 -6.009 17.397 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 5.933 -5.447 16.656 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 7.155 -6.258 17.127 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 1.831 -3.792 21.022 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 1.805 -2.832 21.010 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 2.781 -4.006 21.126 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 8.610 -7.633 27.380 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 9.265 -8.071 26.789 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 9.062 -6.843 27.688 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 6.967 -4.157 20.205 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 7.523 -4.958 20.113 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 7.425 -3.491 19.687 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 9.942 -7.326 17.801 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 9.469 -7.086 16.975 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 9.478 -6.825 18.495 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 8.357 -6.560 15.686 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 8.370 -5.830 15.035 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 7.744 -7.218 15.292 1.00 0.00 WAT1 END