REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1174.45, 64.6952, 75.3482, 42.6808, 405.535, -368.575, -1395.67, 1.25262, 0.283529 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.834569E-03,0.444663,1.29671,42.7363,3.211526E-03,0.219039 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 9 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -7.907 -0.778 1.184 1.00 32.01 ATOM 2 CB MET 1 -9.517 0.633 1.376 1.00 22.22 ATOM 3 HB1 MET 1 -10.251 -0.127 1.152 1.00 37.69 ATOM 4 HB2 MET 1 -9.820 1.561 0.908 1.00 42.31 ATOM 5 CG MET 1 -9.496 0.845 2.883 1.00 60.32 ATOM 6 HG1 MET 1 -8.715 1.554 3.123 1.00 37.69 ATOM 7 HG2 MET 1 -9.283 -0.097 3.364 1.00 24.43 ATOM 8 SD MET 1 -11.063 1.471 3.520 1.00 24.34 ATOM 9 CE MET 1 -10.658 1.710 5.252 1.00 11.41 ATOM 10 HE1 MET 1 -11.517 2.108 5.771 1.00 64.33 ATOM 11 HE2 MET 1 -9.833 2.404 5.339 1.00 13.21 ATOM 12 HE3 MET 1 -10.380 0.763 5.691 1.00 13.45 ATOM 13 C MET 1 -8.232 0.123 -0.734 1.00 65.32 ATOM 14 O MET 1 -7.871 -0.893 -1.332 1.00 31.03 ATOM 15 N MET 1 -7.095 1.152 1.221 1.00 65.12 ATOM 16 HT1 MET 1 -6.990 1.145 2.258 1.00 37.69 ATOM 17 HT2 MET 1 -7.329 2.120 0.921 1.00 37.69 ATOM 18 HT3 MET 1 -6.184 0.885 0.792 1.00 37.69 ATOM 19 CA MET 1 -8.160 0.199 0.799 1.00 72.45 ATOM 20 N GLY 2 -8.711 1.208 -1.347 1.00 11.51 ATOM 21 HN GLY 2 -9.079 1.935 -0.801 1.00 37.69 ATOM 22 CA GLY 2 -8.696 1.359 -2.800 1.00 13.30 ATOM 23 HA1 GLY 2 -7.684 1.590 -3.106 1.00 37.69 ATOM 24 HA2 GLY 2 -9.323 2.199 -3.057 1.00 75.22 ATOM 25 C GLY 2 -9.182 0.145 -3.595 1.00 41.43 ATOM 26 O GLY 2 -10.365 -0.206 -3.563 1.00 50.30 ATOM 27 N HIS 3 -8.251 -0.510 -4.291 1.00 53.41 ATOM 28 HN HIS 3 -7.307 -0.300 -4.123 1.00 37.69 ATOM 29 CA HIS 3 -8.587 -1.536 -5.287 1.00 21.02 ATOM 30 HA HIS 3 -9.454 -1.185 -5.829 1.00 43.43 ATOM 31 CB HIS 3 -7.429 -1.692 -6.284 1.00 22.14 ATOM 32 HB1 HIS 3 -7.688 -2.450 -7.011 1.00 37.69 ATOM 33 HB2 HIS 3 -6.544 -2.001 -5.750 1.00 3.21 ATOM 34 CG HIS 3 -7.101 -0.433 -7.028 1.00 44.23 ATOM 35 ND1 HIS 3 -7.627 -0.131 -8.263 1.00 55.03 ATOM 36 HD1 HIS 3 -8.257 -0.688 -8.770 1.00 11.31 ATOM 37 CD2 HIS 3 -6.291 0.605 -6.706 1.00 44.03 ATOM 38 HD2 HIS 3 -5.713 0.709 -5.798 1.00 32.14 ATOM 39 CE1 HIS 3 -7.158 1.032 -8.668 1.00 34.44 ATOM 40 HE1 HIS 3 -7.405 1.521 -9.600 1.00 51.13 ATOM 41 NE2 HIS 3 -6.347 1.501 -7.743 1.00 41.32 ATOM 42 HE2 HIS 3 -6.011 2.423 -7.709 1.00 37.69 ATOM 43 C HIS 3 -8.934 -2.904 -4.665 1.00 33.14 ATOM 44 O HIS 3 -8.177 -3.865 -4.798 1.00 1.54 ATOM 45 N HIS 4 -10.076 -2.976 -3.976 1.00 35.03 ATOM 46 HN HIS 4 -10.556 -2.143 -3.777 1.00 37.69 ATOM 47 CA HIS 4 -10.647 -4.252 -3.503 1.00 22.20 ATOM 48 HA HIS 4 -11.496 -4.014 -2.878 1.00 62.25 ATOM 49 CB HIS 4 -11.146 -5.064 -4.710 1.00 73.02 ATOM 50 HB1 HIS 4 -11.580 -5.991 -4.360 1.00 37.69 ATOM 51 HB2 HIS 4 -10.310 -5.287 -5.357 1.00 32.50 ATOM 52 CG HIS 4 -12.182 -4.351 -5.531 1.00 43.13 ATOM 53 ND1 HIS 4 -11.949 -3.897 -6.812 1.00 31.32 ATOM 54 HD1 HIS 4 -11.109 -3.984 -7.309 1.00 24.02 ATOM 55 CD2 HIS 4 -13.468 -4.027 -5.254 1.00 62.40 ATOM 56 HD2 HIS 4 -13.995 -4.225 -4.333 1.00 21.45 ATOM 57 CE1 HIS 4 -13.037 -3.326 -7.280 1.00 34.25 ATOM 58 HE1 HIS 4 -13.145 -2.881 -8.259 1.00 51.24 ATOM 59 NE2 HIS 4 -13.974 -3.390 -6.359 1.00 15.40 ATOM 60 HE2 HIS 4 -14.803 -2.865 -6.374 1.00 37.69 ATOM 61 C HIS 4 -9.659 -5.100 -2.669 1.00 23.30 ATOM 62 O HIS 4 -9.794 -6.324 -2.592 1.00 13.41 ATOM 63 N HIS 5 -8.707 -4.449 -1.995 1.00 4.32 ATOM 64 HN HIS 5 -8.697 -3.468 -2.013 1.00 37.69 ATOM 65 CA HIS 5 -7.666 -5.169 -1.236 1.00 32.53 ATOM 66 HA HIS 5 -7.318 -5.979 -1.862 1.00 53.32 ATOM 67 CB HIS 5 -6.477 -4.235 -0.948 1.00 35.32 ATOM 68 HB1 HIS 5 -6.778 -3.487 -0.227 1.00 37.69 ATOM 69 HB2 HIS 5 -6.185 -3.741 -1.865 1.00 63.14 ATOM 70 CG HIS 5 -5.268 -4.946 -0.407 1.00 13.12 ATOM 71 ND1 HIS 5 -4.664 -6.004 -1.053 1.00 12.03 ATOM 72 HD1 HIS 5 -4.955 -6.399 -1.905 1.00 31.22 ATOM 73 CD2 HIS 5 -4.558 -4.755 0.731 1.00 12.42 ATOM 74 HD2 HIS 5 -4.744 -4.002 1.485 1.00 14.20 ATOM 75 CE1 HIS 5 -3.640 -6.430 -0.343 1.00 44.32 ATOM 76 HE1 HIS 5 -2.980 -7.243 -0.610 1.00 53.42 ATOM 77 NE2 HIS 5 -3.552 -5.692 0.744 1.00 23.30 ATOM 78 HE2 HIS 5 -2.986 -5.903 1.517 1.00 37.69 ATOM 79 C HIS 5 -8.212 -5.783 0.077 1.00 34.41 ATOM 80 O HIS 5 -7.448 -6.202 0.950 1.00 72.44 ATOM 81 N HIS 6 -9.537 -5.847 0.208 1.00 32.15 ATOM 82 HN HIS 6 -10.098 -5.444 -0.481 1.00 37.69 ATOM 83 CA HIS 6 -10.179 -6.501 1.356 1.00 13.23 ATOM 84 HA HIS 6 -9.462 -6.529 2.166 1.00 53.35 ATOM 85 CB HIS 6 -11.403 -5.687 1.805 1.00 64.11 ATOM 86 HB1 HIS 6 -12.123 -5.661 0.999 1.00 37.69 ATOM 87 HB2 HIS 6 -11.091 -4.678 2.029 1.00 22.31 ATOM 88 CG HIS 6 -12.095 -6.229 3.025 1.00 34.02 ATOM 89 ND1 HIS 6 -11.592 -6.100 4.303 1.00 32.10 ATOM 90 HD1 HIS 6 -10.750 -5.654 4.549 1.00 10.25 ATOM 91 CD2 HIS 6 -13.262 -6.905 3.155 1.00 31.25 ATOM 92 HD2 HIS 6 -13.929 -7.190 2.354 1.00 14.53 ATOM 93 CE1 HIS 6 -12.415 -6.669 5.159 1.00 61.41 ATOM 94 HE1 HIS 6 -12.277 -6.718 6.230 1.00 23.24 ATOM 95 NE2 HIS 6 -13.436 -7.164 4.490 1.00 22.42 ATOM 96 HE2 HIS 6 -14.267 -7.485 4.897 1.00 37.69 ATOM 97 C HIS 6 -10.578 -7.951 1.009 1.00 32.25 ATOM 98 O HIS 6 -11.093 -8.685 1.852 1.00 40.44 ATOM 99 N HIS 7 -10.341 -8.355 -0.241 1.00 1.31 ATOM 100 HN HIS 7 -9.976 -7.712 -0.887 1.00 37.69 ATOM 101 CA HIS 7 -10.595 -9.735 -0.680 1.00 44.32 ATOM 102 HA HIS 7 -10.730 -10.339 0.209 1.00 72.34 ATOM 103 CB HIS 7 -11.872 -9.817 -1.526 1.00 22.15 ATOM 104 HB1 HIS 7 -11.833 -10.701 -2.148 1.00 37.69 ATOM 105 HB2 HIS 7 -11.936 -8.944 -2.158 1.00 5.32 ATOM 106 CG HIS 7 -13.125 -9.884 -0.710 1.00 63.25 ATOM 107 ND1 HIS 7 -13.672 -11.071 -0.270 1.00 52.13 ATOM 108 HD1 HIS 7 -13.313 -11.971 -0.443 1.00 61.44 ATOM 109 CD2 HIS 7 -13.936 -8.907 -0.248 1.00 4.23 ATOM 110 HD2 HIS 7 -13.812 -7.845 -0.401 1.00 21.25 ATOM 111 CE1 HIS 7 -14.762 -10.819 0.424 1.00 64.35 ATOM 112 HE1 HIS 7 -15.397 -11.556 0.892 1.00 71.32 ATOM 113 NE2 HIS 7 -14.945 -9.517 0.452 1.00 52.24 ATOM 114 HE2 HIS 7 -15.612 -9.056 1.005 1.00 37.69 ATOM 115 C HIS 7 -9.402 -10.307 -1.459 1.00 3.03 ATOM 116 O HIS 7 -8.398 -9.622 -1.664 1.00 70.01 ATOM 117 N HIS 8 -9.530 -11.569 -1.884 1.00 11.14 ATOM 118 HN HIS 8 -10.386 -12.026 -1.743 1.00 37.69 ATOM 119 CA HIS 8 -8.444 -12.303 -2.558 1.00 2.45 ATOM 120 HA HIS 8 -8.840 -13.273 -2.821 1.00 71.01 ATOM 121 CB HIS 8 -8.009 -11.592 -3.851 1.00 20.31 ATOM 122 HB1 HIS 8 -7.064 -12.001 -4.183 1.00 37.69 ATOM 123 HB2 HIS 8 -7.887 -10.537 -3.653 1.00 75.53 ATOM 124 CG HIS 8 -8.993 -11.738 -4.971 1.00 52.52 ATOM 125 ND1 HIS 8 -9.908 -10.766 -5.309 1.00 61.10 ATOM 126 HD1 HIS 8 -10.008 -9.893 -4.869 1.00 45.02 ATOM 127 CD2 HIS 8 -9.198 -12.758 -5.840 1.00 1.24 ATOM 128 HD2 HIS 8 -8.656 -13.693 -5.871 1.00 22.45 ATOM 129 CE1 HIS 8 -10.631 -11.179 -6.330 1.00 31.24 ATOM 130 HE1 HIS 8 -11.426 -10.624 -6.807 1.00 43.41 ATOM 131 NE2 HIS 8 -10.221 -12.382 -6.673 1.00 11.22 ATOM 132 HE2 HIS 8 -10.695 -12.980 -7.293 1.00 37.69 ATOM 133 C HIS 8 -7.231 -12.527 -1.637 1.00 45.31 ATOM 134 O HIS 8 -6.174 -12.972 -2.088 1.00 1.23 ATOM 135 N SER 9 -7.404 -12.262 -0.344 1.00 31.31 ATOM 136 HN SER 9 -8.285 -11.969 -0.035 1.00 37.69 ATOM 137 CA SER 9 -6.321 -12.417 0.635 1.00 13.45 ATOM 138 HA SER 9 -5.402 -12.087 0.169 1.00 60.23 ATOM 139 CB SER 9 -6.584 -11.546 1.873 1.00 13.14 ATOM 140 HB1 SER 9 -7.526 -11.832 2.320 1.00 37.69 ATOM 141 HB2 SER 9 -6.630 -10.509 1.577 1.00 63.01 ATOM 142 OG SER 9 -5.555 -11.696 2.841 1.00 74.42 ATOM 143 HG SER 9 -5.243 -10.822 3.108 1.00 71.52 ATOM 144 C SER 9 -6.157 -13.881 1.059 1.00 23.11 ATOM 145 O SER 9 -6.978 -14.425 1.805 1.00 54.04 ATOM 146 N HIS 10 -5.102 -14.524 0.571 1.00 60.34 ATOM 147 HN HIS 10 -4.496 -14.048 -0.041 1.00 37.69 ATOM 148 CA HIS 10 -4.820 -15.919 0.915 1.00 35.33 ATOM 149 HA HIS 10 -5.432 -16.182 1.768 1.00 71.24 ATOM 150 CB HIS 10 -5.187 -16.842 -0.252 1.00 2.42 ATOM 151 HB1 HIS 10 -4.614 -16.558 -1.124 1.00 37.69 ATOM 152 HB2 HIS 10 -6.240 -16.738 -0.469 1.00 63.30 ATOM 153 CG HIS 10 -4.915 -18.287 0.030 1.00 72.13 ATOM 154 ND1 HIS 10 -3.770 -18.931 -0.385 1.00 44.30 ATOM 155 HD1 HIS 10 -3.046 -18.530 -0.914 1.00 45.31 ATOM 156 CD2 HIS 10 -5.638 -19.213 0.703 1.00 32.10 ATOM 157 HD2 HIS 10 -6.601 -19.061 1.172 1.00 32.34 ATOM 158 CE1 HIS 10 -3.798 -20.183 0.020 1.00 42.24 ATOM 159 HE1 HIS 10 -3.031 -20.921 -0.155 1.00 11.12 ATOM 160 NE2 HIS 10 -4.919 -20.380 0.681 1.00 72.32 ATOM 161 HE2 HIS 10 -5.256 -21.261 0.960 1.00 37.69 ATOM 162 C HIS 10 -3.341 -16.117 1.289 1.00 2.22 ATOM 163 O HIS 10 -2.466 -16.090 0.423 1.00 35.41 ATOM 164 N PRO 11 -3.044 -16.321 2.585 1.00 64.42 ATOM 165 CA PRO 11 -1.673 -16.574 3.051 1.00 51.32 ATOM 166 HA PRO 11 -0.967 -15.907 2.578 1.00 33.14 ATOM 167 CB PRO 11 -1.760 -16.251 4.546 1.00 53.11 ATOM 168 HB1 PRO 11 -1.551 -15.203 4.706 1.00 37.69 ATOM 169 HB2 PRO 11 -1.045 -16.852 5.094 1.00 51.14 ATOM 170 CG PRO 11 -3.165 -16.591 4.921 1.00 71.44 ATOM 171 HG1 PRO 11 -3.481 -15.979 5.754 1.00 37.69 ATOM 172 HG2 PRO 11 -3.231 -17.640 5.183 1.00 15.44 ATOM 173 CD PRO 11 -4.012 -16.302 3.704 1.00 13.35 ATOM 174 HD1 PRO 11 -4.481 -15.332 3.790 1.00 37.69 ATOM 175 HD2 PRO 11 -4.762 -17.071 3.574 1.00 32.13 ATOM 176 C PRO 11 -1.223 -18.032 2.832 1.00 21.15 ATOM 177 O PRO 11 -1.947 -18.975 3.160 1.00 45.12 ATOM 178 N ASN 12 -0.026 -18.207 2.273 1.00 14.53 ATOM 179 HN ASN 12 0.485 -17.419 1.992 1.00 37.69 ATOM 180 CA ASN 12 0.549 -19.543 2.062 1.00 54.13 ATOM 181 HA ASN 12 -0.243 -20.191 1.710 1.00 61.34 ATOM 182 CB ASN 12 1.650 -19.480 0.994 1.00 34.42 ATOM 183 HB1 ASN 12 2.122 -20.450 0.911 1.00 37.69 ATOM 184 HB2 ASN 12 2.389 -18.749 1.288 1.00 41.21 ATOM 185 CG ASN 12 1.111 -19.092 -0.370 1.00 44.20 ATOM 186 OD1 ASN 12 0.738 -19.942 -1.168 1.00 44.33 ATOM 187 ND2 ASN 12 1.069 -17.807 -0.654 1.00 53.14 ATOM 188 HD21 ASN 12 1.384 -17.171 0.019 1.00 44.31 ATOM 189 HD22 ASN 12 0.724 -17.542 -1.531 1.00 40.55 ATOM 190 C ASN 12 1.108 -20.120 3.377 1.00 31.23 ATOM 191 O ASN 12 0.956 -19.513 4.436 1.00 13.10 ATOM 192 N GLU 13 1.769 -21.279 3.296 1.00 52.11 ATOM 193 HN GLU 13 1.914 -21.677 2.413 1.00 37.69 ATOM 194 CA GLU 13 2.276 -21.988 4.488 1.00 3.24 ATOM 195 HA GLU 13 1.427 -22.406 5.008 1.00 14.34 ATOM 196 CB GLU 13 3.201 -23.135 4.054 1.00 52.15 ATOM 197 HB1 GLU 13 3.940 -22.745 3.368 1.00 37.69 ATOM 198 HB2 GLU 13 2.611 -23.883 3.542 1.00 21.43 ATOM 199 CG GLU 13 3.935 -23.816 5.210 1.00 45.53 ATOM 200 HG1 GLU 13 3.209 -24.350 5.810 1.00 37.69 ATOM 201 HG2 GLU 13 4.408 -23.057 5.817 1.00 33.24 ATOM 202 CD GLU 13 5.003 -24.796 4.745 1.00 2.43 ATOM 203 OE1 GLU 13 5.837 -24.417 3.894 1.00 1.53 ATOM 204 OE2 GLU 13 5.039 -25.938 5.249 1.00 52.52 ATOM 205 C GLU 13 3.040 -21.059 5.453 1.00 63.10 ATOM 206 O GLU 13 2.664 -20.914 6.619 1.00 14.44 ATOM 207 N GLU 14 4.101 -20.430 4.957 1.00 73.51 ATOM 208 HN GLU 14 4.320 -20.542 4.008 1.00 37.69 ATOM 209 CA GLU 14 4.954 -19.577 5.792 1.00 43.11 ATOM 210 HA GLU 14 5.234 -20.150 6.666 1.00 5.00 ATOM 211 CB GLU 14 6.232 -19.190 5.030 1.00 34.24 ATOM 212 HB1 GLU 14 6.874 -18.624 5.691 1.00 37.69 ATOM 213 HB2 GLU 14 5.962 -18.569 4.188 1.00 15.54 ATOM 214 CG GLU 14 7.023 -20.387 4.508 1.00 13.30 ATOM 215 HG1 GLU 14 6.394 -20.947 3.830 1.00 37.69 ATOM 216 HG2 GLU 14 7.292 -21.017 5.346 1.00 62.14 ATOM 217 CD GLU 14 8.293 -19.984 3.773 1.00 63.00 ATOM 218 OE1 GLU 14 8.195 -19.274 2.749 1.00 42.10 ATOM 219 OE2 GLU 14 9.397 -20.380 4.205 1.00 3.34 ATOM 220 C GLU 14 4.211 -18.312 6.250 1.00 34.23 ATOM 221 O GLU 14 4.358 -17.871 7.392 1.00 14.24 ATOM 222 N ALA 15 3.407 -17.740 5.355 1.00 14.14 ATOM 223 HN ALA 15 3.323 -18.148 4.467 1.00 37.69 ATOM 224 CA ALA 15 2.658 -16.512 5.647 1.00 41.23 ATOM 225 HA ALA 15 3.371 -15.760 5.951 1.00 75.32 ATOM 226 CB ALA 15 1.961 -16.011 4.386 1.00 41.43 ATOM 227 HB1 ALA 15 1.454 -15.079 4.598 1.00 1.14 ATOM 228 HB2 ALA 15 1.240 -16.744 4.052 1.00 43.04 ATOM 229 HB3 ALA 15 2.695 -15.851 3.609 1.00 72.32 ATOM 230 C ALA 15 1.638 -16.709 6.785 1.00 3.43 ATOM 231 O ALA 15 1.592 -15.921 7.732 1.00 20.44 ATOM 232 N ARG 16 0.823 -17.759 6.691 1.00 71.12 ATOM 233 HN ARG 16 0.895 -18.352 5.914 1.00 37.69 ATOM 234 CA ARG 16 -0.182 -18.043 7.724 1.00 31.44 ATOM 235 HA ARG 16 -0.726 -17.123 7.901 1.00 43.30 ATOM 236 CB ARG 16 -1.182 -19.110 7.238 1.00 51.01 ATOM 237 HB1 ARG 16 -1.685 -18.732 6.358 1.00 37.69 ATOM 238 HB2 ARG 16 -1.918 -19.272 8.011 1.00 65.14 ATOM 239 CG ARG 16 -0.563 -20.461 6.886 1.00 12.14 ATOM 240 HG1 ARG 16 -0.203 -20.928 7.792 1.00 37.69 ATOM 241 HG2 ARG 16 0.263 -20.305 6.209 1.00 1.10 ATOM 242 CD ARG 16 -1.581 -21.388 6.220 1.00 60.20 ATOM 243 HD1 ARG 16 -2.010 -20.878 5.367 1.00 37.69 ATOM 244 HD2 ARG 16 -2.363 -21.610 6.932 1.00 74.13 ATOM 245 NE ARG 16 -0.981 -22.647 5.772 1.00 32.20 ATOM 246 HE ARG 16 -0.240 -23.007 6.293 1.00 70.23 ATOM 247 CZ ARG 16 -1.391 -23.325 4.729 1.00 3.34 ATOM 248 NH1 ARG 16 -2.375 -22.893 4.002 1.00 21.14 ATOM 249 HH11 ARG 16 -2.831 -22.041 4.236 1.00 55.24 ATOM 250 HH12 ARG 16 -2.673 -23.419 3.207 1.00 35.03 ATOM 251 NH2 ARG 16 -0.814 -24.438 4.413 1.00 12.14 ATOM 252 HH21 ARG 16 -0.053 -24.786 4.961 1.00 74.34 ATOM 253 HH22 ARG 16 -1.135 -24.958 3.624 1.00 20.24 ATOM 254 C ARG 16 0.483 -18.463 9.045 1.00 74.13 ATOM 255 O ARG 16 -0.020 -18.164 10.130 1.00 14.14 ATOM 256 N LEU 17 1.623 -19.145 8.946 1.00 34.41 ATOM 257 HN LEU 17 1.950 -19.405 8.057 1.00 37.69 ATOM 258 CA LEU 17 2.398 -19.523 10.133 1.00 41.00 ATOM 259 HA LEU 17 1.728 -20.031 10.813 1.00 0.54 ATOM 260 CB LEU 17 3.531 -20.486 9.742 1.00 33.03 ATOM 261 HB1 LEU 17 4.156 -19.994 9.008 1.00 37.69 ATOM 262 HB2 LEU 17 3.088 -21.358 9.280 1.00 14.04 ATOM 263 CG LEU 17 4.431 -20.956 10.900 1.00 54.11 ATOM 264 HG LEU 17 4.946 -20.100 11.313 1.00 12.55 ATOM 265 CD1 LEU 17 3.602 -21.582 12.020 1.00 12.13 ATOM 266 HD11 LEU 17 4.260 -21.930 12.803 1.00 23.32 ATOM 267 HD12 LEU 17 3.034 -22.415 11.632 1.00 2.33 ATOM 268 HD13 LEU 17 2.926 -20.843 12.424 1.00 70.21 ATOM 269 CD2 LEU 17 5.484 -21.940 10.396 1.00 60.51 ATOM 270 HD21 LEU 17 6.113 -22.247 11.220 1.00 32.23 ATOM 271 HD22 LEU 17 6.090 -21.462 9.641 1.00 34.21 ATOM 272 HD23 LEU 17 4.998 -22.808 9.973 1.00 0.41 ATOM 273 C LEU 17 2.964 -18.280 10.845 1.00 44.15 ATOM 274 O LEU 17 2.987 -18.215 12.076 1.00 33.45 ATOM 275 N ASP 18 3.404 -17.293 10.065 1.00 13.21 ATOM 276 HN ASP 18 3.394 -17.417 9.091 1.00 37.69 ATOM 277 CA ASP 18 3.907 -16.032 10.617 1.00 64.45 ATOM 278 HA ASP 18 4.762 -16.261 11.240 1.00 53.23 ATOM 279 CB ASP 18 4.354 -15.108 9.478 1.00 31.14 ATOM 280 HB1 ASP 18 3.498 -14.860 8.866 1.00 37.69 ATOM 281 HB2 ASP 18 5.081 -15.628 8.871 1.00 43.53 ATOM 282 CG ASP 18 4.978 -13.819 9.981 1.00 2.52 ATOM 283 OD1 ASP 18 6.193 -13.816 10.277 1.00 20.43 ATOM 284 OD2 ASP 18 4.257 -12.807 10.102 1.00 74.23 ATOM 285 C ASP 18 2.832 -15.344 11.481 1.00 44.43 ATOM 286 O ASP 18 3.124 -14.809 12.556 1.00 33.01 ATOM 287 N ILE 19 1.588 -15.377 11.002 1.00 75.22 ATOM 288 HN ILE 19 1.435 -15.774 10.118 1.00 37.69 ATOM 289 CA ILE 19 0.444 -14.836 11.750 1.00 11.04 ATOM 290 HA ILE 19 0.619 -13.782 11.924 1.00 40.24 ATOM 291 CB ILE 19 -0.878 -14.993 10.952 1.00 52.15 ATOM 292 HB ILE 19 -1.138 -16.044 10.934 1.00 43.12 ATOM 293 CG1 ILE 19 -0.709 -14.494 9.507 1.00 31.22 ATOM 294 HG11 ILE 19 0.163 -14.961 9.071 1.00 37.69 ATOM 295 HG12 ILE 19 -0.570 -13.422 9.514 1.00 22.10 ATOM 296 CG2 ILE 19 -2.013 -14.238 11.644 1.00 61.52 ATOM 297 HG21 ILE 19 -2.163 -14.642 12.633 1.00 52.45 ATOM 298 HG22 ILE 19 -2.924 -14.345 11.071 1.00 23.14 ATOM 299 HG23 ILE 19 -1.757 -13.190 11.718 1.00 72.32 ATOM 300 CD1 ILE 19 -1.896 -14.799 8.613 1.00 42.13 ATOM 301 HD11 ILE 19 -1.681 -14.470 7.607 1.00 34.12 ATOM 302 HD12 ILE 19 -2.771 -14.283 8.981 1.00 72.42 ATOM 303 HD13 ILE 19 -2.080 -15.865 8.610 1.00 11.11 ATOM 304 C ILE 19 0.286 -15.554 13.102 1.00 62.24 ATOM 305 O ILE 19 0.123 -14.921 14.151 1.00 32.34 ATOM 306 N LEU 20 0.335 -16.885 13.057 1.00 75.13 ATOM 307 HN LEU 20 0.431 -17.322 12.182 1.00 37.69 ATOM 308 CA LEU 20 0.247 -17.720 14.261 1.00 12.20 ATOM 309 HA LEU 20 -0.718 -17.540 14.716 1.00 60.22 ATOM 310 CB LEU 20 0.341 -19.202 13.872 1.00 73.31 ATOM 311 HB1 LEU 20 0.420 -19.789 14.777 1.00 37.69 ATOM 312 HB2 LEU 20 1.245 -19.342 13.294 1.00 31.54 ATOM 313 CG LEU 20 -0.849 -19.735 13.053 1.00 33.32 ATOM 314 HG LEU 20 -1.061 -19.045 12.249 1.00 41.21 ATOM 315 CD1 LEU 20 -0.521 -21.089 12.427 1.00 45.24 ATOM 316 HD11 LEU 20 0.366 -20.995 11.815 1.00 24.04 ATOM 317 HD12 LEU 20 -1.349 -21.408 11.809 1.00 3.11 ATOM 318 HD13 LEU 20 -0.348 -21.818 13.206 1.00 0.44 ATOM 319 CD2 LEU 20 -2.102 -19.836 13.925 1.00 33.32 ATOM 320 HD21 LEU 20 -1.931 -20.541 14.727 1.00 52.31 ATOM 321 HD22 LEU 20 -2.936 -20.171 13.324 1.00 34.43 ATOM 322 HD23 LEU 20 -2.330 -18.866 14.344 1.00 2.31 ATOM 323 C LEU 20 1.344 -17.359 15.275 1.00 31.45 ATOM 324 O LEU 20 1.093 -17.302 16.478 1.00 55.54 ATOM 325 N LYS 21 2.558 -17.105 14.783 1.00 51.20 ATOM 326 HN LYS 21 2.717 -17.218 13.819 1.00 37.69 ATOM 327 CA LYS 21 3.663 -16.670 15.647 1.00 63.14 ATOM 328 HA LYS 21 3.816 -17.439 16.395 1.00 3.13 ATOM 329 CB LYS 21 4.953 -16.509 14.838 1.00 53.31 ATOM 330 HB1 LYS 21 5.705 -16.050 15.467 1.00 37.69 ATOM 331 HB2 LYS 21 4.755 -15.858 13.998 1.00 22.33 ATOM 332 CG LYS 21 5.519 -17.820 14.300 1.00 23.44 ATOM 333 HG1 LYS 21 4.801 -18.260 13.622 1.00 37.69 ATOM 334 HG2 LYS 21 5.695 -18.494 15.127 1.00 0.21 ATOM 335 CD LYS 21 6.831 -17.595 13.555 1.00 35.03 ATOM 336 HD1 LYS 21 7.524 -17.085 14.211 1.00 37.69 ATOM 337 HD2 LYS 21 6.637 -16.979 12.689 1.00 41.35 ATOM 338 CE LYS 21 7.458 -18.904 13.093 1.00 22.13 ATOM 339 HE1 LYS 21 6.796 -19.379 12.383 1.00 37.69 ATOM 340 HE2 LYS 21 7.591 -19.550 13.949 1.00 14.50 ATOM 341 NZ LYS 21 8.779 -18.685 12.448 1.00 63.12 ATOM 342 HZ1 LYS 21 9.207 -19.596 12.184 1.00 13.35 ATOM 343 HZ2 LYS 21 9.422 -18.192 13.102 1.00 75.22 ATOM 344 HZ3 LYS 21 8.670 -18.106 11.591 1.00 45.41 ATOM 345 C LYS 21 3.332 -15.351 16.364 1.00 33.11 ATOM 346 O LYS 21 3.503 -15.237 17.575 1.00 1.32 ATOM 347 N ILE 22 2.841 -14.365 15.612 1.00 25.22 ATOM 348 HN ILE 22 2.707 -14.520 14.652 1.00 37.69 ATOM 349 CA ILE 22 2.491 -13.056 16.181 1.00 23.42 ATOM 350 HA ILE 22 3.395 -12.619 16.586 1.00 10.41 ATOM 351 CB ILE 22 1.940 -12.101 15.090 1.00 33.23 ATOM 352 HB ILE 22 1.069 -12.564 14.650 1.00 62.15 ATOM 353 CG1 ILE 22 2.995 -11.875 13.992 1.00 70.20 ATOM 354 HG11 ILE 22 3.260 -12.827 13.553 1.00 37.69 ATOM 355 HG12 ILE 22 3.877 -11.433 14.433 1.00 12.44 ATOM 356 CG2 ILE 22 1.508 -10.768 15.703 1.00 52.23 ATOM 357 HG21 ILE 22 1.114 -10.126 14.929 1.00 1.13 ATOM 358 HG22 ILE 22 2.359 -10.291 16.166 1.00 64.51 ATOM 359 HG23 ILE 22 0.743 -10.941 16.448 1.00 64.20 ATOM 360 CD1 ILE 22 2.535 -10.961 12.876 1.00 53.01 ATOM 361 HD11 ILE 22 3.316 -10.878 12.136 1.00 53.42 ATOM 362 HD12 ILE 22 2.317 -9.983 13.277 1.00 71.11 ATOM 363 HD13 ILE 22 1.646 -11.369 12.418 1.00 45.52 ATOM 364 C ILE 22 1.455 -13.186 17.315 1.00 44.11 ATOM 365 O ILE 22 1.653 -12.668 18.415 1.00 42.43 ATOM 366 N HIS 23 0.359 -13.896 17.043 1.00 43.32 ATOM 367 HN HIS 23 0.271 -14.313 16.158 1.00 37.69 ATOM 368 CA HIS 23 -0.711 -14.077 18.036 1.00 63.15 ATOM 369 HA HIS 23 -0.981 -13.096 18.404 1.00 63.11 ATOM 370 CB HIS 23 -1.948 -14.709 17.383 1.00 40.12 ATOM 371 HB1 HIS 23 -2.642 -15.012 18.156 1.00 37.69 ATOM 372 HB2 HIS 23 -1.646 -15.580 16.820 1.00 52.12 ATOM 373 CG HIS 23 -2.676 -13.789 16.448 1.00 63.41 ATOM 374 ND1 HIS 23 -3.915 -13.255 16.732 1.00 33.12 ATOM 375 HD1 HIS 23 -4.428 -13.404 17.557 1.00 3.42 ATOM 376 CD2 HIS 23 -2.340 -13.309 15.227 1.00 71.05 ATOM 377 HD2 HIS 23 -1.428 -13.519 14.684 1.00 25.22 ATOM 378 CE1 HIS 23 -4.309 -12.494 15.733 1.00 32.04 ATOM 379 HE1 HIS 23 -5.240 -11.950 15.681 1.00 43.12 ATOM 380 NE2 HIS 23 -3.373 -12.508 14.806 1.00 70.55 ATOM 381 HE2 HIS 23 -3.343 -11.903 14.034 1.00 37.69 ATOM 382 C HIS 23 -0.247 -14.928 19.233 1.00 13.21 ATOM 383 O HIS 23 -0.609 -14.656 20.379 1.00 35.42 ATOM 384 N SER 24 0.577 -15.941 18.967 1.00 2.53 ATOM 385 HN SER 24 0.856 -16.098 18.039 1.00 37.69 ATOM 386 CA SER 24 1.082 -16.828 20.030 1.00 50.22 ATOM 387 HA SER 24 0.237 -17.121 20.639 1.00 62.43 ATOM 388 CB SER 24 1.712 -18.091 19.428 1.00 22.52 ATOM 389 HB1 SER 24 0.985 -18.591 18.803 1.00 37.69 ATOM 390 HB2 SER 24 2.014 -18.755 20.222 1.00 41.22 ATOM 391 OG SER 24 2.849 -17.782 18.640 1.00 73.32 ATOM 392 HG SER 24 2.602 -17.809 17.708 1.00 44.12 ATOM 393 C SER 24 2.104 -16.113 20.931 1.00 42.12 ATOM 394 O SER 24 2.604 -16.687 21.901 1.00 52.25 ATOM 395 N ARG 25 2.429 -14.864 20.598 1.00 60.12 ATOM 396 HN ARG 25 2.125 -14.509 19.735 1.00 37.69 ATOM 397 CA ARG 25 3.255 -14.018 21.470 1.00 20.00 ATOM 398 HA ARG 25 3.941 -14.665 22.000 1.00 64.50 ATOM 399 CB ARG 25 4.064 -13.019 20.634 1.00 1.35 ATOM 400 HB1 ARG 25 4.593 -12.352 21.300 1.00 37.69 ATOM 401 HB2 ARG 25 3.384 -12.441 20.023 1.00 54.31 ATOM 402 CG ARG 25 5.083 -13.691 19.719 1.00 3.55 ATOM 403 HG1 ARG 25 4.582 -14.453 19.139 1.00 37.69 ATOM 404 HG2 ARG 25 5.847 -14.153 20.328 1.00 2.13 ATOM 405 CD ARG 25 5.749 -12.707 18.768 1.00 4.43 ATOM 406 HD1 ARG 25 6.310 -11.987 19.346 1.00 37.69 ATOM 407 HD2 ARG 25 4.984 -12.196 18.198 1.00 32.31 ATOM 408 NE ARG 25 6.657 -13.391 17.851 1.00 62.13 ATOM 409 HE ARG 25 7.163 -14.151 18.206 1.00 35.12 ATOM 410 CZ ARG 25 6.820 -13.079 16.597 1.00 74.44 ATOM 411 NH1 ARG 25 6.207 -12.059 16.087 1.00 31.11 ATOM 412 HH11 ARG 25 5.606 -11.509 16.654 1.00 45.23 ATOM 413 HH12 ARG 25 6.349 -11.820 15.129 1.00 32.34 ATOM 414 NH2 ARG 25 7.605 -13.790 15.857 1.00 12.51 ATOM 415 HH21 ARG 25 8.080 -14.575 16.249 1.00 22.44 ATOM 416 HH22 ARG 25 7.734 -13.556 14.897 1.00 33.53 ATOM 417 C ARG 25 2.388 -13.285 22.506 1.00 60.23 ATOM 418 O ARG 25 2.892 -12.756 23.498 1.00 75.52 ATOM 419 N LYS 26 1.080 -13.255 22.261 1.00 74.31 ATOM 420 HN LYS 26 0.750 -13.618 21.412 1.00 37.69 ATOM 421 CA LYS 26 0.118 -12.693 23.215 1.00 14.15 ATOM 422 HA LYS 26 0.628 -11.947 23.809 1.00 2.25 ATOM 423 CB LYS 26 -1.047 -12.028 22.461 1.00 4.43 ATOM 424 HB1 LYS 26 -1.679 -11.519 23.176 1.00 37.69 ATOM 425 HB2 LYS 26 -1.627 -12.795 21.967 1.00 62.11 ATOM 426 CG LYS 26 -0.601 -11.012 21.409 1.00 74.53 ATOM 427 HG1 LYS 26 -1.478 -10.541 20.985 1.00 37.69 ATOM 428 HG2 LYS 26 -0.059 -11.529 20.631 1.00 73.33 ATOM 429 CD LYS 26 0.301 -9.933 22.006 1.00 31.22 ATOM 430 HD1 LYS 26 1.175 -10.405 22.436 1.00 37.69 ATOM 431 HD2 LYS 26 -0.242 -9.410 22.780 1.00 24.12 ATOM 432 CE LYS 26 0.753 -8.925 20.955 1.00 54.32 ATOM 433 HE1 LYS 26 -0.114 -8.405 20.572 1.00 37.69 ATOM 434 HE2 LYS 26 1.239 -9.455 20.148 1.00 0.42 ATOM 435 NZ LYS 26 1.703 -7.930 21.518 1.00 21.40 ATOM 436 HZ1 LYS 26 1.981 -7.245 20.785 1.00 32.32 ATOM 437 HZ2 LYS 26 2.557 -8.408 21.869 1.00 63.22 ATOM 438 HZ3 LYS 26 1.263 -7.414 22.307 1.00 41.14 ATOM 439 C LYS 26 -0.415 -13.792 24.149 1.00 54.24 ATOM 440 O LYS 26 -0.928 -13.515 25.236 1.00 40.21 ATOM 441 N MET 27 -0.283 -15.040 23.705 1.00 3.30 ATOM 442 HN MET 27 0.133 -15.183 22.830 1.00 37.69 ATOM 443 CA MET 27 -0.733 -16.210 24.466 1.00 35.34 ATOM 444 HA MET 27 -1.411 -15.877 25.239 1.00 61.50 ATOM 445 CB MET 27 -1.475 -17.167 23.522 1.00 32.31 ATOM 446 HB1 MET 27 -1.854 -18.003 24.094 1.00 37.69 ATOM 447 HB2 MET 27 -0.780 -17.537 22.782 1.00 61.53 ATOM 448 CG MET 27 -2.644 -16.521 22.790 1.00 64.44 ATOM 449 HG1 MET 27 -2.314 -15.582 22.369 1.00 37.69 ATOM 450 HG2 MET 27 -3.440 -16.338 23.497 1.00 12.12 ATOM 451 SD MET 27 -3.286 -17.557 21.458 1.00 71.41 ATOM 452 CE MET 27 -3.786 -19.025 22.358 1.00 53.03 ATOM 453 HE1 MET 27 -4.175 -19.756 21.664 1.00 62.33 ATOM 454 HE2 MET 27 -4.554 -18.766 23.072 1.00 75.12 ATOM 455 HE3 MET 27 -2.934 -19.439 22.878 1.00 1.21 ATOM 456 C MET 27 0.455 -16.944 25.115 1.00 34.50 ATOM 457 O MET 27 1.613 -16.711 24.759 1.00 73.32 ATOM 458 N ASN 28 0.169 -17.818 26.078 1.00 72.32 ATOM 459 HN ASN 28 -0.753 -17.882 26.405 1.00 37.69 ATOM 460 CA ASN 28 1.203 -18.680 26.669 1.00 33.01 ATOM 461 HA ASN 28 2.154 -18.168 26.585 1.00 64.11 ATOM 462 CB ASN 28 0.914 -18.956 28.149 1.00 1.03 ATOM 463 HB1 ASN 28 1.711 -19.565 28.554 1.00 37.69 ATOM 464 HB2 ASN 28 -0.019 -19.494 28.234 1.00 12.31 ATOM 465 CG ASN 28 0.814 -17.688 28.974 1.00 42.14 ATOM 466 OD1 ASN 28 1.814 -17.155 29.444 1.00 0.20 ATOM 467 ND2 ASN 28 -0.393 -17.204 29.173 1.00 23.10 ATOM 468 HD21 ASN 28 -1.154 -17.681 28.783 1.00 30.34 ATOM 469 HD22 ASN 28 -0.481 -16.389 29.708 1.00 63.21 ATOM 470 C ASN 28 1.289 -20.012 25.908 1.00 54.32 ATOM 471 O ASN 28 0.275 -20.669 25.674 1.00 50.53 ATOM 472 N LEU 29 2.495 -20.414 25.522 1.00 31.02 ATOM 473 HN LEU 29 3.276 -19.870 25.756 1.00 37.69 ATOM 474 CA LEU 29 2.684 -21.652 24.750 1.00 43.02 ATOM 475 HA LEU 29 1.713 -21.982 24.404 1.00 33.13 ATOM 476 CB LEU 29 3.573 -21.381 23.530 1.00 33.20 ATOM 477 HB1 LEU 29 3.719 -22.313 23.003 1.00 37.69 ATOM 478 HB2 LEU 29 4.536 -21.036 23.886 1.00 4.21 ATOM 479 CG LEU 29 3.031 -20.346 22.533 1.00 64.53 ATOM 480 HG LEU 29 2.914 -19.398 23.040 1.00 32.22 ATOM 481 CD1 LEU 29 4.019 -20.142 21.386 1.00 23.42 ATOM 482 HD11 LEU 29 4.960 -19.789 21.781 1.00 65.12 ATOM 483 HD12 LEU 29 3.625 -19.411 20.696 1.00 30.42 ATOM 484 HD13 LEU 29 4.173 -21.079 20.868 1.00 52.11 ATOM 485 CD2 LEU 29 1.660 -20.770 22.005 1.00 34.30 ATOM 486 HD21 LEU 29 0.977 -20.895 22.833 1.00 62.50 ATOM 487 HD22 LEU 29 1.749 -21.704 21.468 1.00 70.43 ATOM 488 HD23 LEU 29 1.279 -20.009 21.339 1.00 2.11 ATOM 489 C LEU 29 3.317 -22.774 25.590 1.00 34.03 ATOM 490 O LEU 29 4.038 -22.516 26.556 1.00 21.03 ATOM 491 N THR 30 3.038 -24.024 25.215 1.00 23.21 ATOM 492 HN THR 30 2.355 -24.172 24.523 1.00 37.69 ATOM 493 CA THR 30 3.716 -25.184 25.819 1.00 21.12 ATOM 494 HA THR 30 3.865 -24.970 26.869 1.00 11.11 ATOM 495 CB THR 30 2.870 -26.480 25.704 1.00 12.45 ATOM 496 HB THR 30 1.925 -26.319 26.207 1.00 14.24 ATOM 497 OG1 THR 30 3.556 -27.569 26.339 1.00 15.34 ATOM 498 HG1 THR 30 2.914 -28.144 26.778 1.00 72.03 ATOM 499 CG2 THR 30 2.590 -26.837 24.247 1.00 23.21 ATOM 500 HG21 THR 30 2.045 -26.033 23.775 1.00 40.25 ATOM 501 HG22 THR 30 2.001 -27.742 24.203 1.00 54.21 ATOM 502 HG23 THR 30 3.524 -26.993 23.726 1.00 42.32 ATOM 503 C THR 30 5.090 -25.420 25.163 1.00 62.35 ATOM 504 O THR 30 5.470 -24.708 24.232 1.00 33.10 ATOM 505 N ARG 31 5.834 -26.416 25.642 1.00 72.24 ATOM 506 HN ARG 31 5.466 -26.986 26.352 1.00 37.69 ATOM 507 CA ARG 31 7.179 -26.696 25.120 1.00 61.22 ATOM 508 HA ARG 31 7.594 -25.763 24.761 1.00 2.14 ATOM 509 CB ARG 31 8.081 -27.235 26.239 1.00 40.32 ATOM 510 HB1 ARG 31 9.078 -27.384 25.845 1.00 37.69 ATOM 511 HB2 ARG 31 7.691 -28.187 26.572 1.00 1.21 ATOM 512 CG ARG 31 8.177 -26.310 27.449 1.00 64.23 ATOM 513 HG1 ARG 31 8.864 -26.741 28.165 1.00 37.69 ATOM 514 HG2 ARG 31 7.198 -26.220 27.900 1.00 45.10 ATOM 515 CD ARG 31 8.670 -24.917 27.066 1.00 13.12 ATOM 516 HD1 ARG 31 8.025 -24.517 26.296 1.00 37.69 ATOM 517 HD2 ARG 31 9.678 -24.998 26.685 1.00 63.45 ATOM 518 NE ARG 31 8.671 -24.004 28.207 1.00 53.42 ATOM 519 HE ARG 31 8.785 -24.394 29.096 1.00 41.41 ATOM 520 CZ ARG 31 8.533 -22.710 28.114 1.00 24.33 ATOM 521 NH1 ARG 31 8.371 -22.139 26.961 1.00 44.22 ATOM 522 HH11 ARG 31 8.350 -22.689 26.127 1.00 44.52 ATOM 523 HH12 ARG 31 8.271 -21.148 26.910 1.00 71.33 ATOM 524 NH2 ARG 31 8.555 -21.984 29.184 1.00 61.24 ATOM 525 HH21 ARG 31 8.680 -22.413 30.077 1.00 53.14 ATOM 526 HH22 ARG 31 8.443 -20.995 29.118 1.00 73.41 ATOM 527 C ARG 31 7.135 -27.692 23.952 1.00 14.33 ATOM 528 O ARG 31 6.659 -28.819 24.099 1.00 54.31 ATOM 529 N GLY 32 7.633 -27.265 22.792 1.00 3.42 ATOM 530 HN GLY 32 8.007 -26.360 22.736 1.00 37.69 ATOM 531 CA GLY 32 7.626 -28.118 21.608 1.00 3.50 ATOM 532 HA1 GLY 32 7.823 -29.137 21.910 1.00 37.69 ATOM 533 HA2 GLY 32 8.415 -27.795 20.943 1.00 45.13 ATOM 534 C GLY 32 6.298 -28.075 20.854 1.00 33.12 ATOM 535 O GLY 32 5.906 -29.048 20.206 1.00 25.03 ATOM 536 N ILE 33 5.605 -26.940 20.940 1.00 64.54 ATOM 537 HN ILE 33 5.981 -26.193 21.451 1.00 37.69 ATOM 538 CA ILE 33 4.304 -26.775 20.290 1.00 3.02 ATOM 539 HA ILE 33 3.759 -27.705 20.418 1.00 2.22 ATOM 540 CB ILE 33 3.478 -25.646 20.968 1.00 44.41 ATOM 541 HB ILE 33 3.330 -25.929 22.001 1.00 4.54 ATOM 542 CG1 ILE 33 2.102 -25.498 20.298 1.00 73.01 ATOM 543 HG11 ILE 33 1.587 -26.447 20.344 1.00 37.69 ATOM 544 HG12 ILE 33 2.238 -25.218 19.262 1.00 44.32 ATOM 545 CG2 ILE 33 4.239 -24.321 20.960 1.00 3.30 ATOM 546 HG21 ILE 33 3.653 -23.564 21.459 1.00 54.20 ATOM 547 HG22 ILE 33 4.425 -24.018 19.940 1.00 42.31 ATOM 548 HG23 ILE 33 5.182 -24.442 21.476 1.00 5.43 ATOM 549 CD1 ILE 33 1.212 -24.457 20.946 1.00 70.33 ATOM 550 HD11 ILE 33 1.068 -24.700 21.988 1.00 21.24 ATOM 551 HD12 ILE 33 0.254 -24.445 20.447 1.00 1.22 ATOM 552 HD13 ILE 33 1.673 -23.483 20.862 1.00 4.32 ATOM 553 C ILE 33 4.458 -26.511 18.777 1.00 61.54 ATOM 554 O ILE 33 4.931 -25.452 18.352 1.00 33.42 ATOM 555 N ASN 34 4.071 -27.500 17.972 1.00 64.14 ATOM 556 HN ASN 34 3.691 -28.312 18.368 1.00 37.69 ATOM 557 CA ASN 34 4.205 -27.417 16.515 1.00 70.21 ATOM 558 HA ASN 34 5.129 -26.901 16.298 1.00 34.31 ATOM 559 CB ASN 34 4.281 -28.835 15.920 1.00 34.12 ATOM 560 HB1 ASN 34 3.325 -29.325 16.052 1.00 37.69 ATOM 561 HB2 ASN 34 5.036 -29.394 16.451 1.00 23.51 ATOM 562 CG ASN 34 4.630 -28.851 14.438 1.00 21.02 ATOM 563 OD1 ASN 34 4.309 -27.931 13.692 1.00 4.30 ATOM 564 ND2 ASN 34 5.296 -29.902 13.999 1.00 33.33 ATOM 565 HD21 ASN 34 5.529 -30.606 14.641 1.00 44.11 ATOM 566 HD22 ASN 34 5.530 -29.935 13.049 1.00 71.40 ATOM 567 C ASN 34 3.040 -26.626 15.891 1.00 12.42 ATOM 568 O ASN 34 1.945 -27.158 15.685 1.00 71.11 ATOM 569 N LEU 35 3.287 -25.352 15.598 1.00 43.15 ATOM 570 HN LEU 35 4.173 -24.983 15.805 1.00 37.69 ATOM 571 CA LEU 35 2.277 -24.484 14.981 1.00 73.41 ATOM 572 HA LEU 35 1.321 -24.721 15.428 1.00 22.41 ATOM 573 CB LEU 35 2.602 -23.011 15.263 1.00 53.15 ATOM 574 HB1 LEU 35 1.870 -22.399 14.754 1.00 37.69 ATOM 575 HB2 LEU 35 3.577 -22.795 14.845 1.00 4.10 ATOM 576 CG LEU 35 2.613 -22.610 16.750 1.00 1.32 ATOM 577 HG LEU 35 3.349 -23.210 17.268 1.00 31.54 ATOM 578 CD1 LEU 35 3.014 -21.144 16.911 1.00 61.24 ATOM 579 HD11 LEU 35 2.274 -20.513 16.439 1.00 21.21 ATOM 580 HD12 LEU 35 3.974 -20.980 16.445 1.00 22.01 ATOM 581 HD13 LEU 35 3.079 -20.900 17.962 1.00 2.43 ATOM 582 CD2 LEU 35 1.249 -22.879 17.394 1.00 74.12 ATOM 583 HD21 LEU 35 0.486 -22.312 16.880 1.00 20.11 ATOM 584 HD22 LEU 35 1.275 -22.586 18.433 1.00 75.41 ATOM 585 HD23 LEU 35 1.019 -23.933 17.327 1.00 11.04 ATOM 586 C LEU 35 2.181 -24.724 13.465 1.00 33.34 ATOM 587 O LEU 35 1.133 -24.500 12.855 1.00 74.13 ATOM 588 N ARG 36 3.277 -25.189 12.862 1.00 35.24 ATOM 589 HN ARG 36 4.082 -25.349 13.399 1.00 37.69 ATOM 590 CA ARG 36 3.312 -25.464 11.419 1.00 52.02 ATOM 591 HA ARG 36 3.083 -24.541 10.905 1.00 51.03 ATOM 592 CB ARG 36 4.712 -25.933 10.996 1.00 71.43 ATOM 593 HB1 ARG 36 4.913 -26.889 11.458 1.00 37.69 ATOM 594 HB2 ARG 36 5.441 -25.216 11.345 1.00 23.11 ATOM 595 CG ARG 36 4.879 -26.088 9.486 1.00 40.01 ATOM 596 HG1 ARG 36 4.659 -25.141 9.012 1.00 37.69 ATOM 597 HG2 ARG 36 4.185 -26.837 9.130 1.00 72.35 ATOM 598 CD ARG 36 6.295 -26.512 9.107 1.00 5.31 ATOM 599 HD1 ARG 36 6.488 -27.493 9.521 1.00 37.69 ATOM 600 HD2 ARG 36 6.996 -25.802 9.521 1.00 11.04 ATOM 601 NE ARG 36 6.474 -26.563 7.657 1.00 74.42 ATOM 602 HE ARG 36 5.690 -26.385 7.096 1.00 53.00 ATOM 603 CZ ARG 36 7.607 -26.816 7.062 1.00 24.23 ATOM 604 NH1 ARG 36 8.673 -27.085 7.748 1.00 61.51 ATOM 605 HH11 ARG 36 8.634 -27.105 8.742 1.00 64.33 ATOM 606 HH12 ARG 36 9.533 -27.266 7.281 1.00 23.53 ATOM 607 NH2 ARG 36 7.663 -26.807 5.771 1.00 74.21 ATOM 608 HH21 ARG 36 6.839 -26.603 5.240 1.00 31.34 ATOM 609 HH22 ARG 36 8.519 -27.014 5.305 1.00 34.32 ATOM 610 C ARG 36 2.260 -26.516 11.029 1.00 31.21 ATOM 611 O ARG 36 1.589 -26.389 10.004 1.00 73.51 ATOM 612 N LYS 37 2.120 -27.549 11.862 1.00 31.01 ATOM 613 HN LYS 37 2.726 -27.623 12.631 1.00 37.69 ATOM 614 CA LYS 37 1.095 -28.582 11.658 1.00 71.20 ATOM 615 HA LYS 37 1.294 -29.065 10.710 1.00 52.32 ATOM 616 CB LYS 37 1.174 -29.632 12.792 1.00 62.43 ATOM 617 HB1 LYS 37 0.783 -29.191 13.698 1.00 37.69 ATOM 618 HB2 LYS 37 2.212 -29.884 12.954 1.00 54.55 ATOM 619 CG LYS 37 0.408 -30.938 12.527 1.00 31.04 ATOM 620 HG1 LYS 37 0.780 -31.700 13.200 1.00 37.69 ATOM 621 HG2 LYS 37 0.592 -31.245 11.509 1.00 44.10 ATOM 622 CD LYS 37 -1.105 -30.800 12.726 1.00 71.25 ATOM 623 HD1 LYS 37 -1.590 -31.670 12.305 1.00 37.69 ATOM 624 HD2 LYS 37 -1.445 -29.919 12.208 1.00 72.30 ATOM 625 CE LYS 37 -1.498 -30.682 14.197 1.00 44.40 ATOM 626 HE1 LYS 37 -2.525 -30.350 14.257 1.00 37.69 ATOM 627 HE2 LYS 37 -0.859 -29.950 14.670 1.00 25.43 ATOM 628 NZ LYS 37 -1.367 -31.976 14.923 1.00 2.32 ATOM 629 HZ1 LYS 37 -1.640 -31.854 15.921 1.00 53.03 ATOM 630 HZ2 LYS 37 -0.388 -32.320 14.881 1.00 11.32 ATOM 631 HZ3 LYS 37 -1.990 -32.690 14.493 1.00 60.34 ATOM 632 C LYS 37 -0.303 -27.939 11.610 1.00 23.42 ATOM 633 O LYS 37 -1.150 -28.314 10.797 1.00 12.42 ATOM 634 N ILE 38 -0.522 -26.954 12.481 1.00 51.53 ATOM 635 HN ILE 38 0.206 -26.680 13.076 1.00 37.69 ATOM 636 CA ILE 38 -1.809 -26.253 12.565 1.00 62.24 ATOM 637 HA ILE 38 -2.586 -26.996 12.690 1.00 35.21 ATOM 638 CB ILE 38 -1.845 -25.298 13.785 1.00 2.43 ATOM 639 HB ILE 38 -1.126 -24.509 13.613 1.00 63.43 ATOM 640 CG1 ILE 38 -1.460 -26.053 15.070 1.00 1.21 ATOM 641 HG11 ILE 38 -1.500 -25.371 15.908 1.00 37.69 ATOM 642 HG12 ILE 38 -0.452 -26.427 14.970 1.00 3.31 ATOM 643 CG2 ILE 38 -3.224 -24.650 13.927 1.00 73.03 ATOM 644 HG21 ILE 38 -3.440 -24.061 13.047 1.00 74.15 ATOM 645 HG22 ILE 38 -3.237 -24.012 14.798 1.00 71.40 ATOM 646 HG23 ILE 38 -3.976 -25.421 14.035 1.00 2.11 ATOM 647 CD1 ILE 38 -2.358 -27.231 15.386 1.00 14.32 ATOM 648 HD11 ILE 38 -2.044 -27.687 16.313 1.00 42.11 ATOM 649 HD12 ILE 38 -2.293 -27.958 14.589 1.00 24.14 ATOM 650 HD13 ILE 38 -3.380 -26.891 15.480 1.00 24.40 ATOM 651 C ILE 38 -2.085 -25.450 11.286 1.00 72.50 ATOM 652 O ILE 38 -3.176 -25.521 10.721 1.00 52.53 ATOM 653 N ALA 39 -1.080 -24.704 10.832 1.00 14.12 ATOM 654 HN ALA 39 -0.242 -24.675 11.346 1.00 37.69 ATOM 655 CA ALA 39 -1.187 -23.918 9.598 1.00 73.14 ATOM 656 HA ALA 39 -1.942 -23.158 9.754 1.00 23.10 ATOM 657 CB ALA 39 0.139 -23.218 9.314 1.00 60.23 ATOM 658 HB1 ALA 39 0.917 -23.958 9.185 1.00 11.50 ATOM 659 HB2 ALA 39 0.391 -22.574 10.143 1.00 12.23 ATOM 660 HB3 ALA 39 0.051 -22.627 8.414 1.00 60.10 ATOM 661 C ALA 39 -1.599 -24.790 8.400 1.00 21.21 ATOM 662 O ALA 39 -2.427 -24.393 7.582 1.00 13.22 ATOM 663 N GLU 40 -1.019 -25.984 8.314 1.00 51.34 ATOM 664 HN GLU 40 -0.358 -26.239 8.994 1.00 37.69 ATOM 665 CA GLU 40 -1.324 -26.925 7.228 1.00 71.23 ATOM 666 HA GLU 40 -1.194 -26.396 6.294 1.00 1.32 ATOM 667 CB GLU 40 -0.338 -28.099 7.269 1.00 14.00 ATOM 668 HB1 GLU 40 -0.645 -28.841 6.545 1.00 37.69 ATOM 669 HB2 GLU 40 -0.364 -28.541 8.255 1.00 44.22 ATOM 670 CG GLU 40 1.102 -27.698 6.962 1.00 43.25 ATOM 671 HG1 GLU 40 1.745 -28.548 7.145 1.00 37.69 ATOM 672 HG2 GLU 40 1.387 -26.890 7.622 1.00 21.23 ATOM 673 CD GLU 40 1.293 -27.243 5.521 1.00 23.42 ATOM 674 OE1 GLU 40 1.550 -28.107 4.655 1.00 14.30 ATOM 675 OE2 GLU 40 1.183 -26.030 5.246 1.00 53.22 ATOM 676 C GLU 40 -2.774 -27.440 7.293 1.00 4.13 ATOM 677 O GLU 40 -3.305 -27.956 6.308 1.00 22.24 ATOM 678 N LEU 41 -3.409 -27.302 8.454 1.00 31.02 ATOM 679 HN LEU 41 -2.924 -26.936 9.224 1.00 37.69 ATOM 680 CA LEU 41 -4.815 -27.687 8.615 1.00 54.04 ATOM 681 HA LEU 41 -4.989 -28.564 8.007 1.00 51.40 ATOM 682 CB LEU 41 -5.106 -28.032 10.083 1.00 4.24 ATOM 683 HB1 LEU 41 -6.159 -28.254 10.176 1.00 37.69 ATOM 684 HB2 LEU 41 -4.887 -27.159 10.683 1.00 12.44 ATOM 685 CG LEU 41 -4.312 -29.219 10.657 1.00 64.44 ATOM 686 HG LEU 41 -3.255 -28.993 10.606 1.00 43.02 ATOM 687 CD1 LEU 41 -4.666 -29.448 12.125 1.00 22.24 ATOM 688 HD11 LEU 41 -5.723 -29.658 12.217 1.00 64.31 ATOM 689 HD12 LEU 41 -4.427 -28.562 12.697 1.00 1.43 ATOM 690 HD13 LEU 41 -4.099 -30.284 12.510 1.00 24.32 ATOM 691 CD2 LEU 41 -4.563 -30.483 9.833 1.00 62.53 ATOM 692 HD21 LEU 41 -3.995 -31.304 10.247 1.00 33.44 ATOM 693 HD22 LEU 41 -4.254 -30.315 8.812 1.00 20.41 ATOM 694 HD23 LEU 41 -5.615 -30.728 9.855 1.00 75.22 ATOM 695 C LEU 41 -5.758 -26.568 8.138 1.00 3.35 ATOM 696 O LEU 41 -6.976 -26.752 8.079 1.00 23.45 ATOM 697 N MET 42 -5.182 -25.414 7.791 1.00 30.30 ATOM 698 HN MET 42 -4.206 -25.336 7.853 1.00 37.69 ATOM 699 CA MET 42 -5.955 -24.254 7.325 1.00 64.14 ATOM 700 HA MET 42 -7.001 -24.530 7.309 1.00 51.30 ATOM 701 CB MET 42 -5.767 -23.074 8.293 1.00 13.10 ATOM 702 HB1 MET 42 -6.365 -22.243 7.945 1.00 37.69 ATOM 703 HB2 MET 42 -4.727 -22.781 8.290 1.00 62.01 ATOM 704 CG MET 42 -6.170 -23.381 9.730 1.00 42.31 ATOM 705 HG1 MET 42 -5.620 -24.248 10.068 1.00 37.69 ATOM 706 HG2 MET 42 -7.228 -23.599 9.756 1.00 2.41 ATOM 707 SD MET 42 -5.838 -22.012 10.860 1.00 53.12 ATOM 708 CE MET 42 -6.851 -20.721 10.147 1.00 31.03 ATOM 709 HE1 MET 42 -6.772 -19.829 10.750 1.00 14.54 ATOM 710 HE2 MET 42 -7.881 -21.046 10.116 1.00 1.30 ATOM 711 HE3 MET 42 -6.510 -20.508 9.146 1.00 23.30 ATOM 712 C MET 42 -5.538 -23.831 5.902 1.00 74.13 ATOM 713 O MET 42 -4.779 -22.873 5.727 1.00 53.44 ATOM 714 N PRO 43 -6.013 -24.547 4.861 1.00 11.34 ATOM 715 CA PRO 43 -5.690 -24.209 3.463 1.00 32.34 ATOM 716 HA PRO 43 -4.619 -24.168 3.315 1.00 61.01 ATOM 717 CB PRO 43 -6.268 -25.389 2.664 1.00 21.33 ATOM 718 HB1 PRO 43 -5.485 -26.105 2.456 1.00 37.69 ATOM 719 HB2 PRO 43 -6.686 -25.030 1.733 1.00 15.44 ATOM 720 CG PRO 43 -7.323 -25.978 3.545 1.00 72.31 ATOM 721 HG1 PRO 43 -7.417 -27.038 3.350 1.00 37.69 ATOM 722 HG2 PRO 43 -8.267 -25.482 3.369 1.00 63.34 ATOM 723 CD PRO 43 -6.869 -25.746 4.961 1.00 22.40 ATOM 724 HD1 PRO 43 -6.303 -26.594 5.321 1.00 37.69 ATOM 725 HD2 PRO 43 -7.717 -25.560 5.603 1.00 41.14 ATOM 726 C PRO 43 -6.304 -22.866 3.009 1.00 65.42 ATOM 727 O PRO 43 -5.595 -21.863 2.875 1.00 10.52 ATOM 728 N GLY 44 -7.618 -22.841 2.773 1.00 63.24 ATOM 729 HN GLY 44 -8.140 -23.668 2.863 1.00 37.69 ATOM 730 CA GLY 44 -8.286 -21.608 2.362 1.00 34.43 ATOM 731 HA1 GLY 44 -9.155 -21.865 1.774 1.00 37.69 ATOM 732 HA2 GLY 44 -7.609 -21.033 1.746 1.00 21.13 ATOM 733 C GLY 44 -8.729 -20.745 3.541 1.00 1.13 ATOM 734 O GLY 44 -9.924 -20.521 3.746 1.00 52.40 ATOM 735 N ALA 45 -7.767 -20.256 4.320 1.00 1.35 ATOM 736 HN ALA 45 -6.832 -20.465 4.108 1.00 37.69 ATOM 737 CA ALA 45 -8.064 -19.424 5.495 1.00 14.23 ATOM 738 HA ALA 45 -9.137 -19.407 5.632 1.00 22.34 ATOM 739 CB ALA 45 -7.444 -20.050 6.737 1.00 52.02 ATOM 740 HB1 ALA 45 -6.370 -20.074 6.633 1.00 32.15 ATOM 741 HB2 ALA 45 -7.816 -21.057 6.858 1.00 22.33 ATOM 742 HB3 ALA 45 -7.708 -19.465 7.605 1.00 51.44 ATOM 743 C ALA 45 -7.569 -17.976 5.324 1.00 54.02 ATOM 744 O ALA 45 -6.790 -17.671 4.419 1.00 52.12 ATOM 745 N SER 46 -8.029 -17.089 6.203 1.00 21.02 ATOM 746 HN SER 46 -8.661 -17.389 6.890 1.00 37.69 ATOM 747 CA SER 46 -7.626 -15.673 6.180 1.00 34.42 ATOM 748 HA SER 46 -6.866 -15.545 5.423 1.00 1.13 ATOM 749 CB SER 46 -8.829 -14.777 5.846 1.00 25.55 ATOM 750 HB1 SER 46 -9.323 -15.156 4.963 1.00 37.69 ATOM 751 HB2 SER 46 -8.490 -13.768 5.663 1.00 50.23 ATOM 752 OG SER 46 -9.760 -14.757 6.921 1.00 54.33 ATOM 753 HG SER 46 -10.639 -14.534 6.589 1.00 62.53 ATOM 754 C SER 46 -7.054 -15.246 7.537 1.00 2.34 ATOM 755 O SER 46 -7.180 -15.970 8.528 1.00 43.43 ATOM 756 N GLY 47 -6.446 -14.058 7.584 1.00 73.12 ATOM 757 HN GLY 47 -6.327 -13.545 6.753 1.00 37.69 ATOM 758 CA GLY 47 -5.940 -13.520 8.847 1.00 43.51 ATOM 759 HA1 GLY 47 -5.536 -12.536 8.665 1.00 37.69 ATOM 760 HA2 GLY 47 -5.148 -14.161 9.208 1.00 73.14 ATOM 761 C GLY 47 -7.023 -13.413 9.922 1.00 2.10 ATOM 762 O GLY 47 -6.764 -13.627 11.109 1.00 52.43 ATOM 763 N ALA 48 -8.244 -13.091 9.494 1.00 64.31 ATOM 764 HN ALA 48 -8.375 -12.903 8.543 1.00 37.69 ATOM 765 CA ALA 48 -9.396 -13.010 10.398 1.00 5.33 ATOM 766 HA ALA 48 -9.140 -12.332 11.201 1.00 73.04 ATOM 767 CB ALA 48 -10.601 -12.437 9.658 1.00 62.35 ATOM 768 HB1 ALA 48 -11.431 -12.329 10.342 1.00 63.12 ATOM 769 HB2 ALA 48 -10.883 -13.104 8.854 1.00 13.52 ATOM 770 HB3 ALA 48 -10.345 -11.471 9.249 1.00 63.31 ATOM 771 C ALA 48 -9.737 -14.385 10.998 1.00 72.13 ATOM 772 O ALA 48 -10.107 -14.493 12.171 1.00 73.31 ATOM 773 N GLU 49 -9.603 -15.434 10.188 1.00 14.53 ATOM 774 HN GLU 49 -9.330 -15.284 9.258 1.00 37.69 ATOM 775 CA GLU 49 -9.859 -16.804 10.646 1.00 50.44 ATOM 776 HA GLU 49 -10.808 -16.802 11.167 1.00 43.40 ATOM 777 CB GLU 49 -9.954 -17.763 9.448 1.00 10.25 ATOM 778 HB1 GLU 49 -10.224 -18.746 9.809 1.00 37.69 ATOM 779 HB2 GLU 49 -8.986 -17.821 8.970 1.00 23.44 ATOM 780 CG GLU 49 -10.979 -17.344 8.397 1.00 30.33 ATOM 781 HG1 GLU 49 -11.004 -18.096 7.620 1.00 37.69 ATOM 782 HG2 GLU 49 -10.668 -16.402 7.968 1.00 10.25 ATOM 783 CD GLU 49 -12.385 -17.180 8.964 1.00 24.35 ATOM 784 OE1 GLU 49 -13.159 -18.160 8.949 1.00 54.52 ATOM 785 OE2 GLU 49 -12.724 -16.068 9.422 1.00 2.51 ATOM 786 C GLU 49 -8.765 -17.273 11.619 1.00 60.23 ATOM 787 O GLU 49 -9.044 -17.969 12.597 1.00 40.33 ATOM 788 N VAL 50 -7.517 -16.878 11.352 1.00 64.11 ATOM 789 HN VAL 50 -7.343 -16.376 10.526 1.00 37.69 ATOM 790 CA VAL 50 -6.401 -17.177 12.257 1.00 40.33 ATOM 791 HA VAL 50 -6.366 -18.252 12.395 1.00 53.25 ATOM 792 CB VAL 50 -5.045 -16.718 11.662 1.00 13.21 ATOM 793 HB VAL 50 -5.076 -15.642 11.540 1.00 44.10 ATOM 794 CG1 VAL 50 -3.893 -17.054 12.609 1.00 31.45 ATOM 795 HG11 VAL 50 -3.863 -18.121 12.780 1.00 14.52 ATOM 796 HG12 VAL 50 -4.037 -16.543 13.550 1.00 24.43 ATOM 797 HG13 VAL 50 -2.959 -16.736 12.168 1.00 33.32 ATOM 798 CG2 VAL 50 -4.821 -17.344 10.286 1.00 33.35 ATOM 799 HG21 VAL 50 -5.623 -17.053 9.623 1.00 10.32 ATOM 800 HG22 VAL 50 -4.803 -18.421 10.375 1.00 13.14 ATOM 801 HG23 VAL 50 -3.879 -17.001 9.881 1.00 10.14 ATOM 802 C VAL 50 -6.619 -16.509 13.626 1.00 12.32 ATOM 803 O VAL 50 -6.323 -17.093 14.673 1.00 10.11 ATOM 804 N LYS 51 -7.148 -15.282 13.605 1.00 25.51 ATOM 805 HN LYS 51 -7.250 -14.825 12.741 1.00 37.69 ATOM 806 CA LYS 51 -7.575 -14.594 14.830 1.00 71.42 ATOM 807 HA LYS 51 -6.698 -14.429 15.441 1.00 74.43 ATOM 808 CB LYS 51 -8.201 -13.230 14.466 1.00 54.24 ATOM 809 HB1 LYS 51 -9.020 -13.400 13.780 1.00 37.69 ATOM 810 HB2 LYS 51 -7.451 -12.635 13.962 1.00 44.11 ATOM 811 CG LYS 51 -8.730 -12.411 15.653 1.00 74.20 ATOM 812 HG1 LYS 51 -8.704 -11.362 15.390 1.00 37.69 ATOM 813 HG2 LYS 51 -8.084 -12.578 16.504 1.00 65.51 ATOM 814 CD LYS 51 -10.165 -12.786 16.047 1.00 54.12 ATOM 815 HD1 LYS 51 -10.460 -12.187 16.898 1.00 37.69 ATOM 816 HD2 LYS 51 -10.195 -13.831 16.317 1.00 3.31 ATOM 817 CE LYS 51 -11.152 -12.544 14.908 1.00 73.42 ATOM 818 HE1 LYS 51 -10.839 -13.120 14.048 1.00 37.69 ATOM 819 HE2 LYS 51 -11.145 -11.493 14.656 1.00 21.00 ATOM 820 NZ LYS 51 -12.539 -12.940 15.274 1.00 3.32 ATOM 821 HZ1 LYS 51 -12.873 -12.381 16.085 1.00 1.23 ATOM 822 HZ2 LYS 51 -12.571 -13.947 15.526 1.00 22.32 ATOM 823 HZ3 LYS 51 -13.181 -12.783 14.471 1.00 74.11 ATOM 824 C LYS 51 -8.569 -15.470 15.608 1.00 72.51 ATOM 825 O LYS 51 -8.521 -15.552 16.840 1.00 53.15 ATOM 826 N GLY 52 -9.464 -16.126 14.874 1.00 71.03 ATOM 827 HN GLY 52 -9.484 -15.979 13.904 1.00 37.69 ATOM 828 CA GLY 52 -10.407 -17.056 15.481 1.00 61.20 ATOM 829 HA1 GLY 52 -11.075 -17.421 14.715 1.00 37.69 ATOM 830 HA2 GLY 52 -10.985 -16.528 16.226 1.00 30.15 ATOM 831 C GLY 52 -9.723 -18.249 16.140 1.00 64.22 ATOM 832 O GLY 52 -9.967 -18.540 17.307 1.00 73.51 ATOM 833 N VAL 53 -8.849 -18.925 15.392 1.00 62.32 ATOM 834 HN VAL 53 -8.694 -18.636 14.466 1.00 37.69 ATOM 835 CA VAL 53 -8.114 -20.092 15.909 1.00 10.04 ATOM 836 HA VAL 53 -8.840 -20.866 16.121 1.00 3.13 ATOM 837 CB VAL 53 -7.115 -20.638 14.854 1.00 71.32 ATOM 838 HB VAL 53 -6.420 -19.847 14.605 1.00 64.22 ATOM 839 CG1 VAL 53 -6.311 -21.821 15.406 1.00 43.21 ATOM 840 HG11 VAL 53 -5.766 -21.511 16.286 1.00 54.24 ATOM 841 HG12 VAL 53 -5.613 -22.164 14.656 1.00 63.42 ATOM 842 HG13 VAL 53 -6.983 -22.627 15.665 1.00 51.41 ATOM 843 CG2 VAL 53 -7.853 -21.039 13.579 1.00 14.44 ATOM 844 HG21 VAL 53 -8.570 -21.817 13.805 1.00 1.02 ATOM 845 HG22 VAL 53 -7.145 -21.405 12.849 1.00 75.24 ATOM 846 HG23 VAL 53 -8.371 -20.181 13.175 1.00 24.34 ATOM 847 C VAL 53 -7.349 -19.762 17.203 1.00 15.21 ATOM 848 O VAL 53 -7.385 -20.525 18.171 1.00 24.04 ATOM 849 N CYS 54 -6.665 -18.618 17.213 1.00 32.21 ATOM 850 HN CYS 54 -6.668 -18.058 16.408 1.00 37.69 ATOM 851 CA CYS 54 -5.905 -18.177 18.390 1.00 21.02 ATOM 852 HA CYS 54 -5.202 -18.959 18.641 1.00 13.55 ATOM 853 CB CYS 54 -5.125 -16.894 18.067 1.00 43.33 ATOM 854 HB1 CYS 54 -4.533 -16.612 18.927 1.00 37.69 ATOM 855 HB2 CYS 54 -5.825 -16.101 17.845 1.00 23.04 ATOM 856 SG CYS 54 -4.004 -17.042 16.654 1.00 31.13 ATOM 857 HG CYS 54 -4.614 -17.760 15.718 1.00 65.40 ATOM 858 C CYS 54 -6.829 -17.938 19.594 1.00 50.53 ATOM 859 O CYS 54 -6.543 -18.368 20.714 1.00 63.31 ATOM 860 N THR 55 -7.947 -17.257 19.353 1.00 64.34 ATOM 861 HN THR 55 -8.122 -16.939 18.440 1.00 37.69 ATOM 862 CA THR 55 -8.927 -16.969 20.411 1.00 32.35 ATOM 863 HA THR 55 -8.401 -16.481 21.221 1.00 32.22 ATOM 864 CB THR 55 -10.036 -16.012 19.908 1.00 34.34 ATOM 865 HB THR 55 -10.564 -16.494 19.095 1.00 72.32 ATOM 866 OG1 THR 55 -9.444 -14.795 19.419 1.00 65.21 ATOM 867 HG1 THR 55 -9.365 -14.843 18.458 1.00 3.10 ATOM 868 CG2 THR 55 -11.036 -15.683 21.015 1.00 35.13 ATOM 869 HG21 THR 55 -10.527 -15.185 21.827 1.00 34.43 ATOM 870 HG22 THR 55 -11.486 -16.596 21.379 1.00 25.32 ATOM 871 HG23 THR 55 -11.807 -15.035 20.624 1.00 63.21 ATOM 872 C THR 55 -9.570 -18.258 20.949 1.00 41.55 ATOM 873 O THR 55 -9.682 -18.448 22.163 1.00 62.32 ATOM 874 N GLU 56 -9.983 -19.140 20.040 1.00 64.34 ATOM 875 HN GLU 56 -9.900 -18.916 19.092 1.00 37.69 ATOM 876 CA GLU 56 -10.557 -20.437 20.414 1.00 51.51 ATOM 877 HA GLU 56 -11.445 -20.250 21.003 1.00 73.04 ATOM 878 CB GLU 56 -10.950 -21.231 19.159 1.00 41.11 ATOM 879 HB1 GLU 56 -11.230 -22.234 19.455 1.00 37.69 ATOM 880 HB2 GLU 56 -10.092 -21.290 18.504 1.00 54.23 ATOM 881 CG GLU 56 -12.107 -20.628 18.368 1.00 12.54 ATOM 882 HG1 GLU 56 -12.287 -21.241 17.496 1.00 37.69 ATOM 883 HG2 GLU 56 -11.830 -19.632 18.051 1.00 24.45 ATOM 884 CD GLU 56 -13.392 -20.546 19.176 1.00 64.30 ATOM 885 OE1 GLU 56 -13.939 -21.609 19.538 1.00 2.14 ATOM 886 OE2 GLU 56 -13.869 -19.419 19.439 1.00 44.44 ATOM 887 C GLU 56 -9.571 -21.257 21.257 1.00 2.15 ATOM 888 O GLU 56 -9.920 -21.747 22.330 1.00 42.41 ATOM 889 N ALA 57 -8.338 -21.392 20.765 1.00 24.21 ATOM 890 HN ALA 57 -8.133 -21.003 19.890 1.00 37.69 ATOM 891 CA ALA 57 -7.282 -22.107 21.491 1.00 65.41 ATOM 892 HA ALA 57 -7.562 -23.152 21.539 1.00 41.45 ATOM 893 CB ALA 57 -5.963 -22.002 20.734 1.00 63.14 ATOM 894 HB1 ALA 57 -5.213 -22.607 21.224 1.00 35.04 ATOM 895 HB2 ALA 57 -5.637 -20.971 20.715 1.00 11.05 ATOM 896 HB3 ALA 57 -6.100 -22.353 19.720 1.00 35.43 ATOM 897 C ALA 57 -7.128 -21.568 22.921 1.00 2.54 ATOM 898 O ALA 57 -7.057 -22.335 23.884 1.00 23.14 ATOM 899 N GLY 58 -7.094 -20.241 23.053 1.00 44.20 ATOM 900 HN GLY 58 -7.083 -19.681 22.248 1.00 37.69 ATOM 901 CA GLY 58 -7.063 -19.620 24.373 1.00 70.14 ATOM 902 HA1 GLY 58 -7.067 -18.546 24.252 1.00 37.69 ATOM 903 HA2 GLY 58 -6.149 -19.911 24.874 1.00 23.11 ATOM 904 C GLY 58 -8.256 -20.023 25.238 1.00 61.25 ATOM 905 O GLY 58 -8.092 -20.425 26.390 1.00 13.24 ATOM 906 N MET 59 -9.461 -19.935 24.668 1.00 54.40 ATOM 907 HN MET 59 -9.526 -19.598 23.746 1.00 37.69 ATOM 908 CA MET 59 -10.689 -20.338 25.366 1.00 11.21 ATOM 909 HA MET 59 -10.798 -19.702 26.232 1.00 41.12 ATOM 910 CB MET 59 -11.910 -20.149 24.449 1.00 32.12 ATOM 911 HB1 MET 59 -12.776 -20.574 24.937 1.00 37.69 ATOM 912 HB2 MET 59 -11.735 -20.685 23.526 1.00 24.35 ATOM 913 CG MET 59 -12.233 -18.696 24.103 1.00 64.02 ATOM 914 HG1 MET 59 -12.671 -18.663 23.114 1.00 37.69 ATOM 915 HG2 MET 59 -11.316 -18.124 24.104 1.00 71.42 ATOM 916 SD MET 59 -13.391 -17.931 25.264 1.00 52.24 ATOM 917 CE MET 59 -12.391 -17.756 26.739 1.00 43.51 ATOM 918 HE1 MET 59 -12.075 -18.730 27.079 1.00 60.11 ATOM 919 HE2 MET 59 -12.974 -17.279 27.513 1.00 72.11 ATOM 920 HE3 MET 59 -11.521 -17.153 26.516 1.00 61.05 ATOM 921 C MET 59 -10.620 -21.801 25.835 1.00 22.54 ATOM 922 O MET 59 -11.071 -22.132 26.932 1.00 72.32 ATOM 923 N TYR 60 -10.047 -22.670 24.998 1.00 40.13 ATOM 924 HN TYR 60 -9.689 -22.341 24.144 1.00 37.69 ATOM 925 CA TYR 60 -9.946 -24.100 25.310 1.00 1.12 ATOM 926 HA TYR 60 -10.937 -24.437 25.583 1.00 71.21 ATOM 927 CB TYR 60 -9.487 -24.891 24.075 1.00 10.33 ATOM 928 HB1 TYR 60 -9.408 -25.938 24.334 1.00 37.69 ATOM 929 HB2 TYR 60 -8.516 -24.529 23.767 1.00 22.21 ATOM 930 CG TYR 60 -10.427 -24.776 22.882 1.00 32.41 ATOM 931 CD1 TYR 60 -9.991 -25.079 21.594 1.00 14.11 ATOM 932 HD1 TYR 60 -8.973 -25.409 21.446 1.00 51.51 ATOM 933 CD2 TYR 60 -11.745 -24.355 23.041 1.00 52.21 ATOM 934 HD2 TYR 60 -12.103 -24.116 24.032 1.00 71.11 ATOM 935 CE1 TYR 60 -10.840 -24.967 20.507 1.00 10.34 ATOM 936 HE1 TYR 60 -10.482 -25.208 19.517 1.00 73.35 ATOM 937 CE2 TYR 60 -12.598 -24.245 21.961 1.00 34.23 ATOM 938 HE2 TYR 60 -13.618 -23.919 22.109 1.00 5.23 ATOM 939 CZ TYR 60 -12.142 -24.548 20.696 1.00 44.10 ATOM 940 OH TYR 60 -12.989 -24.429 19.616 1.00 42.11 ATOM 941 HH TYR 60 -13.359 -23.535 19.597 1.00 11.03 ATOM 942 C TYR 60 -9.008 -24.359 26.502 1.00 72.21 ATOM 943 O TYR 60 -9.243 -25.266 27.303 1.00 12.31 ATOM 944 N ALA 61 -7.952 -23.558 26.623 1.00 43.23 ATOM 945 HN ALA 61 -7.756 -22.913 25.906 1.00 37.69 ATOM 946 CA ALA 61 -7.066 -23.626 27.790 1.00 13.54 ATOM 947 HA ALA 61 -6.832 -24.667 27.971 1.00 22.24 ATOM 948 CB ALA 61 -5.762 -22.888 27.510 1.00 21.33 ATOM 949 HB1 ALA 61 -5.108 -22.970 28.367 1.00 10.31 ATOM 950 HB2 ALA 61 -5.971 -21.845 27.317 1.00 63.35 ATOM 951 HB3 ALA 61 -5.279 -23.322 26.647 1.00 1.03 ATOM 952 C ALA 61 -7.747 -23.044 29.042 1.00 72.41 ATOM 953 O ALA 61 -7.725 -23.648 30.119 1.00 55.12 ATOM 954 N LEU 62 -8.360 -21.868 28.880 1.00 14.44 ATOM 955 HN LEU 62 -8.360 -21.457 27.987 1.00 37.69 ATOM 956 CA LEU 62 -9.024 -21.162 29.985 1.00 0.25 ATOM 957 HA LEU 62 -8.267 -20.939 30.725 1.00 65.51 ATOM 958 CB LEU 62 -9.622 -19.838 29.483 1.00 52.41 ATOM 959 HB1 LEU 62 -10.195 -19.397 30.288 1.00 37.69 ATOM 960 HB2 LEU 62 -10.296 -20.059 28.666 1.00 12.31 ATOM 961 CG LEU 62 -8.597 -18.798 28.998 1.00 11.33 ATOM 962 HG LEU 62 -8.004 -19.234 28.206 1.00 61.40 ATOM 963 CD1 LEU 62 -9.296 -17.568 28.425 1.00 31.42 ATOM 964 HD11 LEU 62 -9.941 -17.133 29.177 1.00 1.50 ATOM 965 HD12 LEU 62 -9.888 -17.857 27.568 1.00 10.12 ATOM 966 HD13 LEU 62 -8.558 -16.840 28.121 1.00 71.15 ATOM 967 CD2 LEU 62 -7.649 -18.406 30.130 1.00 14.22 ATOM 968 HD21 LEU 62 -8.216 -17.995 30.954 1.00 25.53 ATOM 969 HD22 LEU 62 -6.946 -17.666 29.774 1.00 24.22 ATOM 970 HD23 LEU 62 -7.109 -19.279 30.466 1.00 1.34 ATOM 971 C LEU 62 -10.117 -22.014 30.653 1.00 2.23 ATOM 972 O LEU 62 -10.152 -22.134 31.882 1.00 11.33 ATOM 973 N ARG 63 -11.002 -22.606 29.846 1.00 4.41 ATOM 974 HN ARG 63 -10.934 -22.458 28.878 1.00 37.69 ATOM 975 CA ARG 63 -12.083 -23.463 30.368 1.00 60.45 ATOM 976 HA ARG 63 -12.715 -22.845 30.991 1.00 23.32 ATOM 977 CB ARG 63 -12.929 -24.028 29.214 1.00 52.33 ATOM 978 HB1 ARG 63 -13.460 -23.213 28.742 1.00 37.69 ATOM 979 HB2 ARG 63 -13.649 -24.728 29.617 1.00 10.20 ATOM 980 CG ARG 63 -12.107 -24.743 28.150 1.00 60.31 ATOM 981 HG1 ARG 63 -11.556 -25.548 28.619 1.00 37.69 ATOM 982 HG2 ARG 63 -11.410 -24.038 27.722 1.00 11.34 ATOM 983 CD ARG 63 -12.968 -25.321 27.029 1.00 12.24 ATOM 984 HD1 ARG 63 -12.337 -25.521 26.174 1.00 37.69 ATOM 985 HD2 ARG 63 -13.719 -24.594 26.756 1.00 32.12 ATOM 986 NE ARG 63 -13.637 -26.557 27.423 1.00 55.02 ATOM 987 HE ARG 63 -14.571 -26.496 27.721 1.00 75.41 ATOM 988 CZ ARG 63 -13.079 -27.736 27.373 1.00 34.24 ATOM 989 NH1 ARG 63 -11.831 -27.866 27.042 1.00 2.02 ATOM 990 HH11 ARG 63 -11.288 -27.063 26.822 1.00 42.13 ATOM 991 HH12 ARG 63 -11.412 -28.772 27.020 1.00 35.02 ATOM 992 NH2 ARG 63 -13.766 -28.789 27.671 1.00 75.14 ATOM 993 HH21 ARG 63 -14.724 -28.698 27.935 1.00 54.53 ATOM 994 HH22 ARG 63 -13.339 -29.690 27.631 1.00 21.13 ATOM 995 C ARG 63 -11.537 -24.619 31.225 1.00 65.12 ATOM 996 O ARG 63 -12.184 -25.056 32.178 1.00 1.01 ATOM 997 N GLU 64 -10.336 -25.096 30.890 1.00 30.10 ATOM 998 HN GLU 64 -9.853 -24.680 30.146 1.00 37.69 ATOM 999 CA GLU 64 -9.710 -26.212 31.610 1.00 20.11 ATOM 1000 HA GLU 64 -10.501 -26.779 32.082 1.00 63.44 ATOM 1001 CB GLU 64 -8.968 -27.136 30.627 1.00 73.33 ATOM 1002 HB1 GLU 64 -8.322 -27.800 31.185 1.00 37.69 ATOM 1003 HB2 GLU 64 -8.362 -26.528 29.969 1.00 74.33 ATOM 1004 CG GLU 64 -9.903 -27.987 29.766 1.00 2.43 ATOM 1005 HG1 GLU 64 -10.430 -27.332 29.085 1.00 37.69 ATOM 1006 HG2 GLU 64 -10.617 -28.479 30.412 1.00 13.13 ATOM 1007 CD GLU 64 -9.177 -29.054 28.955 1.00 4.33 ATOM 1008 OE1 GLU 64 -9.447 -29.178 27.739 1.00 31.02 ATOM 1009 OE2 GLU 64 -8.340 -29.780 29.532 1.00 21.33 ATOM 1010 C GLU 64 -8.759 -25.718 32.714 1.00 30.30 ATOM 1011 O GLU 64 -7.973 -26.494 33.260 1.00 23.23 ATOM 1012 N ARG 65 -8.863 -24.428 33.057 1.00 35.44 ATOM 1013 HN ARG 65 -9.487 -23.858 32.557 1.00 37.69 ATOM 1014 CA ARG 65 -8.079 -23.827 34.154 1.00 15.34 ATOM 1015 HA ARG 65 -8.375 -22.790 34.227 1.00 31.54 ATOM 1016 CB ARG 65 -8.389 -24.522 35.497 1.00 5.41 ATOM 1017 HB1 ARG 65 -7.661 -24.196 36.230 1.00 37.69 ATOM 1018 HB2 ARG 65 -8.291 -25.590 35.366 1.00 1.54 ATOM 1019 CG ARG 65 -9.786 -24.239 36.058 1.00 13.44 ATOM 1020 HG1 ARG 65 -9.937 -23.170 36.082 1.00 37.69 ATOM 1021 HG2 ARG 65 -9.845 -24.630 37.063 1.00 72.12 ATOM 1022 CD ARG 65 -10.898 -24.870 35.227 1.00 41.51 ATOM 1023 HD1 ARG 65 -10.927 -24.385 34.262 1.00 37.69 ATOM 1024 HD2 ARG 65 -11.841 -24.712 35.732 1.00 5.51 ATOM 1025 NE ARG 65 -10.698 -26.307 35.026 1.00 61.14 ATOM 1026 HE ARG 65 -9.843 -26.596 34.654 1.00 74.14 ATOM 1027 CZ ARG 65 -11.599 -27.218 35.270 1.00 40.22 ATOM 1028 NH1 ARG 65 -12.708 -26.910 35.861 1.00 41.14 ATOM 1029 HH11 ARG 65 -12.880 -25.969 36.143 1.00 31.13 ATOM 1030 HH12 ARG 65 -13.386 -27.621 36.049 1.00 14.14 ATOM 1031 NH2 ARG 65 -11.365 -28.449 34.960 1.00 33.31 ATOM 1032 HH21 ARG 65 -10.497 -28.700 34.537 1.00 35.03 ATOM 1033 HH22 ARG 65 -12.051 -29.150 35.150 1.00 13.34 ATOM 1034 C ARG 65 -6.565 -23.870 33.880 1.00 23.24 ATOM 1035 O ARG 65 -5.754 -23.813 34.806 1.00 1.32 ATOM 1036 N ARG 66 -6.186 -23.952 32.609 1.00 33.15 ATOM 1037 HN ARG 66 -6.871 -23.973 31.907 1.00 37.69 ATOM 1038 CA ARG 66 -4.771 -24.009 32.231 1.00 33.22 ATOM 1039 HA ARG 66 -4.206 -24.331 33.096 1.00 61.12 ATOM 1040 CB ARG 66 -4.566 -25.026 31.098 1.00 15.43 ATOM 1041 HB1 ARG 66 -3.505 -25.174 30.951 1.00 37.69 ATOM 1042 HB2 ARG 66 -4.993 -24.624 30.189 1.00 31.05 ATOM 1043 CG ARG 66 -5.208 -26.389 31.365 1.00 24.51 ATOM 1044 HG1 ARG 66 -6.277 -26.258 31.464 1.00 37.69 ATOM 1045 HG2 ARG 66 -4.810 -26.791 32.286 1.00 24.50 ATOM 1046 CD ARG 66 -4.934 -27.379 30.234 1.00 72.33 ATOM 1047 HD1 ARG 66 -5.572 -28.243 30.365 1.00 37.69 ATOM 1048 HD2 ARG 66 -3.900 -27.688 30.285 1.00 52.11 ATOM 1049 NE ARG 66 -5.188 -26.790 28.918 1.00 12.11 ATOM 1050 HE ARG 66 -4.850 -25.893 28.759 1.00 20.52 ATOM 1051 CZ ARG 66 -5.803 -27.393 27.939 1.00 52.42 ATOM 1052 NH1 ARG 66 -6.309 -28.571 28.100 1.00 71.24 ATOM 1053 HH11 ARG 66 -6.230 -29.034 28.978 1.00 53.43 ATOM 1054 HH12 ARG 66 -6.796 -29.008 27.350 1.00 12.23 ATOM 1055 NH2 ARG 66 -5.918 -26.804 26.797 1.00 34.01 ATOM 1056 HH21 ARG 66 -5.537 -25.897 26.661 1.00 50.13 ATOM 1057 HH22 ARG 66 -6.380 -27.265 26.036 1.00 65.22 ATOM 1058 C ARG 66 -4.259 -22.625 31.796 1.00 63.54 ATOM 1059 O ARG 66 -5.011 -21.821 31.241 1.00 20.15 ATOM 1060 N VAL 67 -2.984 -22.347 32.062 1.00 41.13 ATOM 1061 HN VAL 67 -2.443 -23.010 32.539 1.00 37.69 ATOM 1062 CA VAL 67 -2.371 -21.074 31.665 1.00 62.31 ATOM 1063 HA VAL 67 -3.145 -20.316 31.672 1.00 53.43 ATOM 1064 CB VAL 67 -1.261 -20.639 32.660 1.00 51.44 ATOM 1065 HB VAL 67 -0.476 -21.384 32.636 1.00 40.41 ATOM 1066 CG1 VAL 67 -0.650 -19.298 32.243 1.00 61.11 ATOM 1067 HG11 VAL 67 0.113 -19.010 32.953 1.00 72.42 ATOM 1068 HG12 VAL 67 -1.420 -18.541 32.216 1.00 62.03 ATOM 1069 HG13 VAL 67 -0.207 -19.393 31.259 1.00 54.13 ATOM 1070 CG2 VAL 67 -1.809 -20.574 34.087 1.00 34.13 ATOM 1071 HG21 VAL 67 -2.183 -21.547 34.375 1.00 61.03 ATOM 1072 HG22 VAL 67 -2.612 -19.852 34.134 1.00 70.01 ATOM 1073 HG23 VAL 67 -1.020 -20.278 34.764 1.00 14.33 ATOM 1074 C VAL 67 -1.778 -21.159 30.251 1.00 73.50 ATOM 1075 O VAL 67 -2.029 -20.294 29.408 1.00 42.23 ATOM 1076 N HIS 68 -0.993 -22.208 29.995 1.00 73.34 ATOM 1077 HN HIS 68 -0.828 -22.863 30.704 1.00 37.69 ATOM 1078 CA HIS 68 -0.375 -22.400 28.677 1.00 70.12 ATOM 1079 HA HIS 68 -0.227 -21.419 28.245 1.00 40.51 ATOM 1080 CB HIS 68 0.998 -23.088 28.801 1.00 35.24 ATOM 1081 HB1 HIS 68 1.635 -22.484 29.435 1.00 37.69 ATOM 1082 HB2 HIS 68 1.447 -23.156 27.821 1.00 22.01 ATOM 1083 CG HIS 68 0.959 -24.475 29.379 1.00 75.42 ATOM 1084 ND1 HIS 68 1.366 -24.765 30.662 1.00 74.42 ATOM 1085 HD1 HIS 68 1.709 -24.118 31.315 1.00 15.01 ATOM 1086 CD2 HIS 68 0.585 -25.662 28.835 1.00 1.54 ATOM 1087 HD2 HIS 68 0.210 -25.819 27.833 1.00 61.43 ATOM 1088 CE1 HIS 68 1.245 -26.058 30.881 1.00 73.21 ATOM 1089 HE1 HIS 68 1.492 -26.567 31.801 1.00 34.23 ATOM 1090 NE2 HIS 68 0.776 -26.624 29.793 1.00 60.32 ATOM 1091 HE2 HIS 68 0.432 -27.543 29.746 1.00 37.69 ATOM 1092 C HIS 68 -1.286 -23.206 27.736 1.00 41.11 ATOM 1093 O HIS 68 -1.990 -24.122 28.163 1.00 44.22 ATOM 1094 N VAL 69 -1.250 -22.864 26.454 1.00 52.44 ATOM 1095 HN VAL 69 -0.679 -22.120 26.179 1.00 37.69 ATOM 1096 CA VAL 69 -2.041 -23.556 25.436 1.00 74.34 ATOM 1097 HA VAL 69 -2.887 -24.024 25.924 1.00 70.33 ATOM 1098 CB VAL 69 -2.580 -22.551 24.385 1.00 20.25 ATOM 1099 HB VAL 69 -1.736 -22.143 23.845 1.00 14.55 ATOM 1100 CG1 VAL 69 -3.494 -23.243 23.378 1.00 42.33 ATOM 1101 HG11 VAL 69 -3.868 -22.517 22.670 1.00 15.13 ATOM 1102 HG12 VAL 69 -4.325 -23.698 23.897 1.00 74.12 ATOM 1103 HG13 VAL 69 -2.940 -24.006 22.850 1.00 63.13 ATOM 1104 CG2 VAL 69 -3.307 -21.395 25.072 1.00 30.05 ATOM 1105 HG21 VAL 69 -4.125 -21.782 25.663 1.00 41.30 ATOM 1106 HG22 VAL 69 -3.694 -20.716 24.326 1.00 24.05 ATOM 1107 HG23 VAL 69 -2.618 -20.865 25.715 1.00 25.22 ATOM 1108 C VAL 69 -1.208 -24.641 24.732 1.00 51.31 ATOM 1109 O VAL 69 -0.001 -24.478 24.518 1.00 42.35 ATOM 1110 N THR 70 -1.854 -25.751 24.387 1.00 34.22 ATOM 1111 HN THR 70 -2.814 -25.824 24.584 1.00 37.69 ATOM 1112 CA THR 70 -1.183 -26.862 23.700 1.00 0.45 ATOM 1113 HA THR 70 -0.115 -26.743 23.828 1.00 43.43 ATOM 1114 CB THR 70 -1.595 -28.235 24.283 1.00 63.33 ATOM 1115 HB THR 70 -0.939 -28.991 23.875 1.00 64.14 ATOM 1116 OG1 THR 70 -2.948 -28.546 23.912 1.00 24.53 ATOM 1117 HG1 THR 70 -3.555 -27.945 24.367 1.00 71.30 ATOM 1118 CG2 THR 70 -1.464 -28.250 25.805 1.00 63.14 ATOM 1119 HG21 THR 70 -1.729 -29.227 26.180 1.00 73.35 ATOM 1120 HG22 THR 70 -2.125 -27.510 26.231 1.00 23.52 ATOM 1121 HG23 THR 70 -0.445 -28.021 26.081 1.00 1.40 ATOM 1122 C THR 70 -1.510 -26.861 22.205 1.00 10.31 ATOM 1123 O THR 70 -2.405 -26.146 21.754 1.00 44.02 ATOM 1124 N GLN 71 -0.786 -27.672 21.438 1.00 2.43 ATOM 1125 HN GLN 71 -0.066 -28.196 21.843 1.00 37.69 ATOM 1126 CA GLN 71 -1.045 -27.803 19.999 1.00 72.01 ATOM 1127 HA GLN 71 -0.966 -26.819 19.556 1.00 71.44 ATOM 1128 CB GLN 71 -0.005 -28.728 19.353 1.00 15.23 ATOM 1129 HB1 GLN 71 -0.068 -29.704 19.814 1.00 37.69 ATOM 1130 HB2 GLN 71 0.981 -28.321 19.528 1.00 74.14 ATOM 1131 CG GLN 71 -0.194 -28.897 17.849 1.00 61.12 ATOM 1132 HG1 GLN 71 -0.020 -27.941 17.371 1.00 37.69 ATOM 1133 HG2 GLN 71 -1.208 -29.210 17.659 1.00 65.03 ATOM 1134 CD GLN 71 0.743 -29.920 17.235 1.00 30.11 ATOM 1135 OE1 GLN 71 1.136 -30.893 17.870 1.00 42.45 ATOM 1136 NE2 GLN 71 1.113 -29.705 15.991 1.00 51.41 ATOM 1137 HE21 GLN 71 0.777 -28.902 15.543 1.00 4.20 ATOM 1138 HE22 GLN 71 1.713 -30.355 15.570 1.00 70.55 ATOM 1139 C GLN 71 -2.458 -28.353 19.743 1.00 4.14 ATOM 1140 O GLN 71 -3.121 -27.981 18.769 1.00 0.35 ATOM 1141 N GLU 72 -2.909 -29.226 20.642 1.00 45.41 ATOM 1142 HN GLU 72 -2.349 -29.432 21.418 1.00 37.69 ATOM 1143 CA GLU 72 -4.213 -29.885 20.521 1.00 45.42 ATOM 1144 HA GLU 72 -4.223 -30.421 19.583 1.00 45.12 ATOM 1145 CB GLU 72 -4.386 -30.894 21.666 1.00 51.23 ATOM 1146 HB1 GLU 72 -5.337 -31.397 21.551 1.00 37.69 ATOM 1147 HB2 GLU 72 -4.383 -30.360 22.606 1.00 4.33 ATOM 1148 CG GLU 72 -3.286 -31.953 21.710 1.00 63.34 ATOM 1149 HG1 GLU 72 -2.333 -31.456 21.835 1.00 37.69 ATOM 1150 HG2 GLU 72 -3.286 -32.491 20.772 1.00 30.25 ATOM 1151 CD GLU 72 -3.468 -32.954 22.840 1.00 5.42 ATOM 1152 OE1 GLU 72 -4.268 -33.901 22.674 1.00 3.22 ATOM 1153 OE2 GLU 72 -2.807 -32.807 23.893 1.00 74.20 ATOM 1154 C GLU 72 -5.368 -28.872 20.519 1.00 74.14 ATOM 1155 O GLU 72 -6.371 -29.058 19.826 1.00 24.32 ATOM 1156 N ASP 73 -5.219 -27.797 21.286 1.00 4.12 ATOM 1157 HN ASP 73 -4.410 -27.708 21.836 1.00 37.69 ATOM 1158 CA ASP 73 -6.237 -26.747 21.339 1.00 3.51 ATOM 1159 HA ASP 73 -7.188 -27.220 21.544 1.00 71.50 ATOM 1160 CB ASP 73 -5.924 -25.761 22.467 1.00 41.10 ATOM 1161 HB1 ASP 73 -6.728 -25.042 22.547 1.00 37.69 ATOM 1162 HB2 ASP 73 -5.005 -25.241 22.236 1.00 13.31 ATOM 1163 CG ASP 73 -5.764 -26.453 23.810 1.00 71.32 ATOM 1164 OD1 ASP 73 -4.675 -26.351 24.413 1.00 22.24 ATOM 1165 OD2 ASP 73 -6.726 -27.110 24.265 1.00 15.11 ATOM 1166 C ASP 73 -6.338 -26.002 19.994 1.00 33.40 ATOM 1167 O ASP 73 -7.433 -25.678 19.531 1.00 23.15 ATOM 1168 N PHE 74 -5.189 -25.744 19.367 1.00 11.32 ATOM 1169 HN PHE 74 -4.345 -26.015 19.788 1.00 37.69 ATOM 1170 CA PHE 74 -5.154 -25.063 18.065 1.00 42.14 ATOM 1171 HA PHE 74 -5.716 -24.145 18.168 1.00 74.31 ATOM 1172 CB PHE 74 -3.713 -24.710 17.673 1.00 71.21 ATOM 1173 HB1 PHE 74 -3.687 -24.448 16.622 1.00 37.69 ATOM 1174 HB2 PHE 74 -3.082 -25.573 17.834 1.00 61.51 ATOM 1175 CG PHE 74 -3.132 -23.556 18.453 1.00 33.33 ATOM 1176 CD1 PHE 74 -2.396 -23.775 19.607 1.00 51.25 ATOM 1177 HD1 PHE 74 -2.237 -24.786 19.952 1.00 63.23 ATOM 1178 CD2 PHE 74 -3.324 -22.247 18.026 1.00 35.01 ATOM 1179 HD2 PHE 74 -3.898 -22.061 17.129 1.00 14.23 ATOM 1180 CE1 PHE 74 -1.862 -22.716 20.318 1.00 53.03 ATOM 1181 HE1 PHE 74 -1.291 -22.901 21.217 1.00 40.11 ATOM 1182 CE2 PHE 74 -2.792 -21.185 18.733 1.00 54.44 ATOM 1183 HE2 PHE 74 -2.948 -20.173 18.390 1.00 12.01 ATOM 1184 CZ PHE 74 -2.060 -21.420 19.881 1.00 61.22 ATOM 1185 HZ PHE 74 -1.644 -20.592 20.436 1.00 63.12 ATOM 1186 C PHE 74 -5.809 -25.906 16.958 1.00 23.15 ATOM 1187 O PHE 74 -6.651 -25.409 16.212 1.00 61.20 ATOM 1188 N GLU 75 -5.431 -27.181 16.854 1.00 74.23 ATOM 1189 HN GLU 75 -4.756 -27.532 17.475 1.00 37.69 ATOM 1190 CA GLU 75 -6.009 -28.070 15.833 1.00 14.32 ATOM 1191 HA GLU 75 -5.897 -27.567 14.881 1.00 4.24 ATOM 1192 CB GLU 75 -5.244 -29.403 15.761 1.00 21.41 ATOM 1193 HB1 GLU 75 -4.248 -29.206 15.391 1.00 37.69 ATOM 1194 HB2 GLU 75 -5.749 -30.054 15.062 1.00 32.41 ATOM 1195 CG GLU 75 -5.118 -30.142 17.086 1.00 32.24 ATOM 1196 HG1 GLU 75 -6.100 -30.470 17.398 1.00 37.69 ATOM 1197 HG2 GLU 75 -4.714 -29.466 17.828 1.00 42.41 ATOM 1198 CD GLU 75 -4.205 -31.356 16.981 1.00 63.41 ATOM 1199 OE1 GLU 75 -4.717 -32.482 16.809 1.00 71.43 ATOM 1200 OE2 GLU 75 -2.968 -31.186 17.045 1.00 21.44 ATOM 1201 C GLU 75 -7.513 -28.296 16.066 1.00 51.21 ATOM 1202 O GLU 75 -8.277 -28.494 15.117 1.00 0.32 ATOM 1203 N MET 76 -7.937 -28.270 17.330 1.00 73.40 ATOM 1204 HN MET 76 -7.276 -28.263 18.056 1.00 37.69 ATOM 1205 CA MET 76 -9.369 -28.256 17.660 1.00 72.44 ATOM 1206 HA MET 76 -9.833 -29.086 17.143 1.00 62.34 ATOM 1207 CB MET 76 -9.578 -28.429 19.176 1.00 32.41 ATOM 1208 HB1 MET 76 -10.553 -28.042 19.442 1.00 37.69 ATOM 1209 HB2 MET 76 -8.824 -27.855 19.698 1.00 64.12 ATOM 1210 CG MET 76 -9.494 -29.878 19.654 1.00 43.41 ATOM 1211 HG1 MET 76 -8.961 -29.905 20.594 1.00 37.69 ATOM 1212 HG2 MET 76 -8.953 -30.459 18.922 1.00 25.22 ATOM 1213 SD MET 76 -11.121 -30.635 19.896 1.00 13.41 ATOM 1214 CE MET 76 -11.897 -30.358 18.303 1.00 61.02 ATOM 1215 HE1 MET 76 -11.299 -30.814 17.527 1.00 51.41 ATOM 1216 HE2 MET 76 -11.975 -29.296 18.122 1.00 32.22 ATOM 1217 HE3 MET 76 -12.884 -30.796 18.302 1.00 52.51 ATOM 1218 C MET 76 -10.023 -26.951 17.181 1.00 51.42 ATOM 1219 O MET 76 -11.115 -26.959 16.604 1.00 61.01 ATOM 1220 N ALA 77 -9.335 -25.835 17.414 1.00 12.51 ATOM 1221 HN ALA 77 -8.483 -25.898 17.898 1.00 37.69 ATOM 1222 CA ALA 77 -9.807 -24.516 16.984 1.00 3.41 ATOM 1223 HA ALA 77 -10.765 -24.339 17.456 1.00 63.21 ATOM 1224 CB ALA 77 -8.839 -23.439 17.461 1.00 53.22 ATOM 1225 HB1 ALA 77 -8.723 -23.504 18.534 1.00 74.25 ATOM 1226 HB2 ALA 77 -9.224 -22.464 17.201 1.00 13.54 ATOM 1227 HB3 ALA 77 -7.878 -23.581 16.987 1.00 24.23 ATOM 1228 C ALA 77 -9.986 -24.445 15.459 1.00 32.22 ATOM 1229 O ALA 77 -10.942 -23.849 14.964 1.00 34.31 ATOM 1230 N VAL 78 -9.064 -25.061 14.718 1.00 14.44 ATOM 1231 HN VAL 78 -8.294 -25.474 15.165 1.00 37.69 ATOM 1232 CA VAL 78 -9.163 -25.131 13.251 1.00 23.35 ATOM 1233 HA VAL 78 -9.097 -24.121 12.866 1.00 0.42 ATOM 1234 CB VAL 78 -8.003 -25.961 12.643 1.00 11.51 ATOM 1235 HB VAL 78 -8.039 -26.955 13.069 1.00 22.03 ATOM 1236 CG1 VAL 78 -8.157 -26.089 11.127 1.00 22.51 ATOM 1237 HG11 VAL 78 -9.072 -26.616 10.899 1.00 43.43 ATOM 1238 HG12 VAL 78 -7.318 -26.637 10.723 1.00 22.42 ATOM 1239 HG13 VAL 78 -8.190 -25.104 10.681 1.00 11.54 ATOM 1240 CG2 VAL 78 -6.654 -25.339 12.999 1.00 60.21 ATOM 1241 HG21 VAL 78 -6.554 -25.284 14.074 1.00 21.43 ATOM 1242 HG22 VAL 78 -6.591 -24.344 12.580 1.00 34.23 ATOM 1243 HG23 VAL 78 -5.857 -25.949 12.597 1.00 15.22 ATOM 1244 C VAL 78 -10.504 -25.741 12.812 1.00 73.34 ATOM 1245 O VAL 78 -11.180 -25.221 11.919 1.00 11.45 ATOM 1246 N ALA 79 -10.892 -26.838 13.461 1.00 23.25 ATOM 1247 HN ALA 79 -10.305 -27.211 14.155 1.00 37.69 ATOM 1248 CA ALA 79 -12.168 -27.500 13.175 1.00 11.42 ATOM 1249 HA ALA 79 -12.182 -27.757 12.123 1.00 41.15 ATOM 1250 CB ALA 79 -12.281 -28.789 13.980 1.00 4.43 ATOM 1251 HB1 ALA 79 -12.290 -28.554 15.035 1.00 41.50 ATOM 1252 HB2 ALA 79 -11.437 -29.429 13.761 1.00 3.24 ATOM 1253 HB3 ALA 79 -13.197 -29.301 13.717 1.00 62.34 ATOM 1254 C ALA 79 -13.359 -26.575 13.477 1.00 0.21 ATOM 1255 O ALA 79 -14.372 -26.598 12.776 1.00 42.12 ATOM 1256 N LYS 80 -13.221 -25.767 14.527 1.00 71.11 ATOM 1257 HN LYS 80 -12.401 -25.826 15.063 1.00 37.69 ATOM 1258 CA LYS 80 -14.252 -24.797 14.916 1.00 12.20 ATOM 1259 HA LYS 80 -15.195 -25.317 14.977 1.00 74.52 ATOM 1260 CB LYS 80 -13.912 -24.212 16.298 1.00 11.12 ATOM 1261 HB1 LYS 80 -12.936 -23.748 16.247 1.00 37.69 ATOM 1262 HB2 LYS 80 -13.874 -25.019 17.016 1.00 64.42 ATOM 1263 CG LYS 80 -14.911 -23.167 16.803 1.00 1.42 ATOM 1264 HG1 LYS 80 -15.030 -22.404 16.045 1.00 37.69 ATOM 1265 HG2 LYS 80 -14.518 -22.715 17.703 1.00 22.52 ATOM 1266 CD LYS 80 -16.277 -23.773 17.114 1.00 72.15 ATOM 1267 HD1 LYS 80 -16.674 -24.224 16.215 1.00 37.69 ATOM 1268 HD2 LYS 80 -16.941 -22.987 17.445 1.00 44.31 ATOM 1269 CE LYS 80 -16.190 -24.835 18.205 1.00 25.02 ATOM 1270 HE1 LYS 80 -15.774 -24.385 19.097 1.00 37.69 ATOM 1271 HE2 LYS 80 -15.539 -25.629 17.871 1.00 4.04 ATOM 1272 NZ LYS 80 -17.521 -25.411 18.531 1.00 2.44 ATOM 1273 HZ1 LYS 80 -18.014 -25.695 17.660 1.00 64.11 ATOM 1274 HZ2 LYS 80 -18.105 -24.711 19.028 1.00 2.32 ATOM 1275 HZ3 LYS 80 -17.408 -26.250 19.138 1.00 63.12 ATOM 1276 C LYS 80 -14.374 -23.659 13.887 1.00 0.24 ATOM 1277 O LYS 80 -15.459 -23.370 13.381 1.00 13.01 ATOM 1278 N VAL 81 -13.246 -23.030 13.581 1.00 14.25 ATOM 1279 HN VAL 81 -12.407 -23.358 13.968 1.00 37.69 ATOM 1280 CA VAL 81 -13.208 -21.860 12.697 1.00 74.54 ATOM 1281 HA VAL 81 -13.932 -21.147 13.069 1.00 45.23 ATOM 1282 CB VAL 81 -11.811 -21.190 12.749 1.00 70.23 ATOM 1283 HB VAL 81 -11.073 -21.925 12.454 1.00 30.02 ATOM 1284 CG1 VAL 81 -11.721 -20.014 11.780 1.00 72.11 ATOM 1285 HG11 VAL 81 -11.893 -20.361 10.771 1.00 74.43 ATOM 1286 HG12 VAL 81 -10.738 -19.569 11.842 1.00 63.15 ATOM 1287 HG13 VAL 81 -12.466 -19.276 12.038 1.00 10.41 ATOM 1288 CG2 VAL 81 -11.491 -20.741 14.173 1.00 24.43 ATOM 1289 HG21 VAL 81 -12.242 -20.040 14.510 1.00 54.43 ATOM 1290 HG22 VAL 81 -10.521 -20.263 14.193 1.00 62.32 ATOM 1291 HG23 VAL 81 -11.480 -21.598 14.830 1.00 42.51 ATOM 1292 C VAL 81 -13.562 -22.204 11.237 1.00 24.12 ATOM 1293 O VAL 81 -14.291 -21.461 10.575 1.00 41.41 ATOM 1294 N MET 82 -13.048 -23.327 10.735 1.00 72.30 ATOM 1295 HN MET 82 -12.499 -23.901 11.310 1.00 37.69 ATOM 1296 CA MET 82 -13.276 -23.717 9.334 1.00 10.14 ATOM 1297 HA MET 82 -13.447 -22.810 8.770 1.00 41.31 ATOM 1298 CB MET 82 -12.032 -24.409 8.762 1.00 41.43 ATOM 1299 HB1 MET 82 -12.238 -24.713 7.744 1.00 37.69 ATOM 1300 HB2 MET 82 -11.817 -25.288 9.352 1.00 2.32 ATOM 1301 CG MET 82 -10.791 -23.523 8.752 1.00 51.24 ATOM 1302 HG1 MET 82 -10.479 -23.351 9.772 1.00 37.69 ATOM 1303 HG2 MET 82 -11.040 -22.580 8.288 1.00 40.10 ATOM 1304 SD MET 82 -9.417 -24.262 7.846 1.00 63.34 ATOM 1305 CE MET 82 -10.109 -24.355 6.195 1.00 60.15 ATOM 1306 HE1 MET 82 -11.007 -24.956 6.213 1.00 32.00 ATOM 1307 HE2 MET 82 -9.389 -24.805 5.528 1.00 75.14 ATOM 1308 HE3 MET 82 -10.349 -23.360 5.846 1.00 25.32 ATOM 1309 C MET 82 -14.509 -24.623 9.160 1.00 22.01 ATOM 1310 O MET 82 -14.938 -24.872 8.034 1.00 34.55 ATOM 1311 N GLN 83 -15.070 -25.113 10.269 1.00 10.50 ATOM 1312 HN GLN 83 -14.662 -24.907 11.135 1.00 37.69 ATOM 1313 CA GLN 83 -16.284 -25.950 10.239 1.00 65.30 ATOM 1314 HA GLN 83 -16.427 -26.351 11.233 1.00 61.20 ATOM 1315 CB GLN 83 -17.512 -25.095 9.875 1.00 33.21 ATOM 1316 HB1 GLN 83 -18.394 -25.720 9.911 1.00 37.69 ATOM 1317 HB2 GLN 83 -17.389 -24.722 8.867 1.00 44.12 ATOM 1318 CG GLN 83 -17.732 -23.903 10.800 1.00 10.31 ATOM 1319 HG1 GLN 83 -16.836 -23.296 10.810 1.00 37.69 ATOM 1320 HG2 GLN 83 -17.924 -24.269 11.799 1.00 41.44 ATOM 1321 CD GLN 83 -18.902 -23.033 10.371 1.00 63.35 ATOM 1322 OE1 GLN 83 -20.039 -23.232 10.794 1.00 14.44 ATOM 1323 NE2 GLN 83 -18.642 -22.072 9.509 1.00 51.21 ATOM 1324 HE21 GLN 83 -17.721 -21.970 9.193 1.00 41.23 ATOM 1325 HE22 GLN 83 -19.381 -21.497 9.223 1.00 1.41 ATOM 1326 C GLN 83 -16.153 -27.131 9.255 1.00 34.31 ATOM 1327 O GLN 83 -16.794 -27.153 8.200 1.00 13.20 ATOM 1328 N LYS 84 -15.312 -28.105 9.597 1.00 13.01 ATOM 1329 HN LYS 84 -14.829 -28.041 10.446 1.00 37.69 ATOM 1330 CA LYS 84 -15.087 -29.270 8.729 1.00 11.12 ATOM 1331 HA LYS 84 -15.943 -29.361 8.074 1.00 32.30 ATOM 1332 CB LYS 84 -13.822 -29.045 7.867 1.00 11.10 ATOM 1333 HB1 LYS 84 -12.954 -29.114 8.507 1.00 37.69 ATOM 1334 HB2 LYS 84 -13.863 -28.047 7.451 1.00 23.03 ATOM 1335 CG LYS 84 -13.641 -30.032 6.703 1.00 5.44 ATOM 1336 HG1 LYS 84 -13.012 -29.569 5.953 1.00 37.69 ATOM 1337 HG2 LYS 84 -14.609 -30.241 6.271 1.00 62.24 ATOM 1338 CD LYS 84 -13.002 -31.355 7.133 1.00 44.35 ATOM 1339 HD1 LYS 84 -13.016 -32.039 6.295 1.00 37.69 ATOM 1340 HD2 LYS 84 -13.577 -31.773 7.945 1.00 25.12 ATOM 1341 CE LYS 84 -11.558 -31.174 7.597 1.00 41.33 ATOM 1342 HE1 LYS 84 -11.189 -32.124 7.957 1.00 37.69 ATOM 1343 HE2 LYS 84 -11.538 -30.454 8.404 1.00 24.23 ATOM 1344 NZ LYS 84 -10.670 -30.695 6.500 1.00 75.44 ATOM 1345 HZ1 LYS 84 -10.676 -31.372 5.709 1.00 31.32 ATOM 1346 HZ2 LYS 84 -9.693 -30.598 6.846 1.00 4.42 ATOM 1347 HZ3 LYS 84 -10.995 -29.770 6.151 1.00 4.11 ATOM 1348 C LYS 84 -14.971 -30.558 9.559 1.00 42.32 ATOM 1349 O LYS 84 -14.046 -30.718 10.358 1.00 30.12 ATOM 1350 N ASP 85 -15.920 -31.471 9.366 1.00 2.11 ATOM 1351 HN ASP 85 -16.639 -31.283 8.724 1.00 37.69 ATOM 1352 CA ASP 85 -15.933 -32.747 10.087 1.00 35.42 ATOM 1353 HA ASP 85 -15.109 -32.745 10.787 1.00 64.54 ATOM 1354 CB ASP 85 -17.243 -32.885 10.867 1.00 35.21 ATOM 1355 HB1 ASP 85 -17.233 -33.818 11.414 1.00 37.69 ATOM 1356 HB2 ASP 85 -18.071 -32.890 10.172 1.00 62.32 ATOM 1357 CG ASP 85 -17.442 -31.748 11.857 1.00 42.24 ATOM 1358 OD1 ASP 85 -18.060 -30.727 11.487 1.00 50.14 ATOM 1359 OD2 ASP 85 -16.979 -31.868 13.014 1.00 13.51 ATOM 1360 C ASP 85 -15.757 -33.932 9.121 1.00 65.21 ATOM 1361 O ASP 85 -16.170 -33.867 7.961 1.00 73.54 ATOM 1362 N SER 86 -15.145 -35.013 9.605 1.00 1.23 ATOM 1363 HN SER 86 -14.885 -35.028 10.552 1.00 37.69 ATOM 1364 HA SER 86 -15.513 -36.156 7.910 1.00 64.01 ATOM 1365 CB SER 86 -13.401 -36.148 8.270 1.00 44.05 ATOM 1366 HB1 SER 86 -13.251 -35.254 7.680 1.00 37.69 ATOM 1367 HB2 SER 86 -13.204 -37.016 7.658 1.00 64.21 ATOM 1368 OG SER 86 -12.483 -36.139 9.354 1.00 10.13 ATOM 1369 HG SER 86 -12.555 -36.978 9.838 1.00 65.45 ATOM 1370 CA SER 86 -14.854 -36.193 8.767 1.00 2.42 ATOM 1371 C SER 86 -15.108 -37.511 9.522 1.00 1.53 ATOM 1372 OT1 SER 86 -16.125 -38.181 9.237 1.00 37.69 ATOM 1373 OT2 SER 86 -14.291 -37.873 10.400 1.00 37.69 ATOM 1374 OH2 TIP3 1 -22.817 -35.195 8.699 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -23.084 -36.112 8.449 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -23.422 -34.621 8.180 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.732 -40.559 10.437 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.452 -40.509 11.105 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.545 -39.617 10.211 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -16.411 -38.627 4.777 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.362 -39.135 5.619 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -17.092 -37.960 4.942 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -23.360 -40.269 7.183 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -22.473 -40.207 7.590 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -23.517 -41.230 7.099 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -21.104 -39.134 8.519 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -20.258 -38.710 8.798 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -21.684 -38.383 8.298 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -16.284 -39.914 7.173 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.981 -40.522 7.473 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.202 -39.261 7.911 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -24.325 -31.518 9.272 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -24.026 -30.617 9.035 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -24.417 -31.485 10.237 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -20.392 -37.466 4.368 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -20.403 -36.799 5.086 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -21.266 -37.904 4.435 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -11.240 -35.186 11.551 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -11.896 -35.455 10.882 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -10.452 -34.976 11.038 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -15.535 -35.458 12.489 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -15.668 -35.008 13.339 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -15.098 -36.299 12.730 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -22.686 -39.018 4.802 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -23.310 -39.366 4.125 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -23.070 -39.316 5.652 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -20.023 -35.463 6.221 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -19.041 -35.531 6.155 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -20.172 -35.059 7.100 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -24.344 -37.830 10.950 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -24.187 -36.906 11.220 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -23.922 -38.356 11.657 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -23.089 -35.388 11.466 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -23.049 -34.447 11.751 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -22.944 -35.348 10.497 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -12.945 -38.415 1.664 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -12.573 -39.066 1.061 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -13.850 -38.761 1.863 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -24.540 -40.430 3.345 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -24.995 -40.666 2.534 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -24.836 -41.109 3.992 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -9.434 -32.629 2.220 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -8.486 -32.420 2.322 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -9.453 -33.602 2.107 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -7.694 -32.547 10.482 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -7.270 -32.042 11.193 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -7.657 -33.467 10.794 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.332 -35.330 6.075 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -16.980 -34.970 5.252 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.883 -34.813 6.778 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.761 -35.674 2.933 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.358 -34.941 3.121 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -19.235 -36.461 3.271 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -18.277 -36.215 14.228 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.430 -36.138 14.710 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -18.635 -35.299 14.237 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -19.763 -43.569 11.457 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -20.138 -44.365 11.837 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -20.134 -43.538 10.549 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -13.488 -33.652 -2.870 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -13.612 -33.811 -3.806 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -14.281 -34.058 -2.449 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -21.505 -40.343 10.959 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -22.219 -39.907 11.455 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -21.530 -39.921 10.077 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -25.417 -42.380 5.056 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -26.203 -42.595 5.562 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -24.676 -42.694 5.617 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -20.374 -40.431 5.147 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -19.701 -39.836 4.799 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -21.216 -39.954 4.992 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.836 -38.920 12.972 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -21.895 -38.655 13.063 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -23.121 -39.089 13.876 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -18.805 -38.059 9.520 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.861 -38.096 9.243 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.803 -37.420 10.264 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -20.480 -43.358 8.813 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.733 -42.734 8.816 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -20.767 -43.375 7.883 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -20.764 -42.934 6.100 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -19.853 -43.305 6.080 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.661 -42.035 5.702 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.475 -41.398 8.501 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -19.163 -40.713 8.577 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.869 -41.213 9.258 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -19.045 -40.893 11.893 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -19.932 -40.642 11.549 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -19.077 -41.873 11.926 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -19.345 -31.127 3.487 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -19.739 -31.934 3.898 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -18.942 -30.646 4.241 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -15.274 -39.537 2.485 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -15.660 -39.168 3.315 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -15.973 -40.095 2.130 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -23.641 -37.748 8.307 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -23.808 -38.599 7.855 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -24.048 -37.863 9.197 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -17.358 -34.780 0.646 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -17.679 -33.860 0.752 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -17.771 -35.262 1.390 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -21.586 -35.851 13.824 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -21.077 -36.653 13.598 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -22.179 -35.723 13.057 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -10.747 -36.308 13.962 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -10.955 -35.859 13.106 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -10.231 -37.095 13.698 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -10.779 -30.778 3.713 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -10.417 -31.612 3.344 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -10.084 -30.123 3.531 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -21.525 -29.454 3.405 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -22.019 -29.824 2.666 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -20.711 -30.005 3.449 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -20.602 -33.245 4.648 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -20.445 -34.098 5.100 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -21.230 -32.777 5.240 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -20.701 -31.103 11.366 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -20.975 -30.559 12.131 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -19.714 -31.008 11.345 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -22.244 -32.141 6.553 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -23.030 -32.645 6.852 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -21.835 -31.816 7.384 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.359 -34.830 -1.268 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -14.633 -34.727 -0.631 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.161 -34.911 -0.704 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -11.812 -31.828 1.076 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -10.878 -32.041 1.283 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -12.130 -31.379 1.868 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -10.588 -35.858 4.538 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -10.064 -36.300 5.242 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -11.382 -36.428 4.439 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.123 -43.392 6.575 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -18.169 -42.652 7.213 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.360 -43.902 6.857 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.261 -32.212 1.159 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -17.847 -31.430 0.790 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.687 -31.893 1.980 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -23.391 -43.068 6.800 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -23.306 -43.677 7.543 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -22.494 -43.067 6.388 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -20.152 -38.186 13.252 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -19.709 -38.926 12.800 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -19.419 -37.691 13.672 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -21.420 -34.553 16.306 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -21.488 -35.155 15.530 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -20.482 -34.617 16.579 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -18.675 -33.521 14.363 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -18.004 -32.959 13.902 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -19.521 -33.047 14.225 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -18.112 -36.225 11.458 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -18.362 -36.219 12.400 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -17.168 -35.984 11.466 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -14.298 -31.687 13.359 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -14.021 -31.505 12.449 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.275 -31.825 13.288 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -14.914 -31.676 16.210 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.272 -32.385 16.436 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -14.837 -31.590 15.240 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.647 -37.708 4.274 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.605 -37.889 3.306 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.580 -37.840 4.496 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -13.433 -40.182 7.353 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.372 -40.185 7.088 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -13.458 -40.382 8.314 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -11.460 -36.280 0.604 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -11.980 -35.518 0.258 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -12.137 -36.906 0.921 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -13.893 -40.524 10.042 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -14.021 -39.556 10.189 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -14.775 -40.904 10.206 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -13.321 -36.123 15.031 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -12.361 -36.134 14.836 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -13.695 -36.778 14.402 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -9.498 -40.858 7.474 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -9.983 -40.132 7.031 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -10.062 -41.627 7.349 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -11.037 -38.647 10.246 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -10.183 -38.957 10.609 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -11.643 -39.386 10.395 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -14.301 -37.836 13.101 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -14.558 -38.742 13.309 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -14.200 -37.836 12.112 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.724 -32.777 12.082 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -23.379 -32.048 12.131 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -21.946 -32.364 11.645 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.951 -28.369 12.289 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -18.579 -29.204 11.899 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -19.555 -28.043 11.612 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -17.459 -29.514 14.315 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -17.199 -30.374 13.891 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -18.036 -29.086 13.640 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -23.808 -30.294 11.859 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -23.149 -29.975 12.507 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -23.745 -29.652 11.114 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -24.529 -33.443 7.412 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -25.445 -33.478 7.114 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -24.526 -32.734 8.104 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -20.233 -34.247 8.691 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -21.183 -34.497 8.754 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -19.827 -34.665 9.461 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -11.144 -27.971 5.669 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -10.690 -27.429 6.326 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -11.594 -27.322 5.088 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -14.576 -31.324 25.783 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -14.980 -31.804 25.050 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -13.736 -30.981 25.410 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -15.396 -31.068 28.347 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -15.191 -31.243 27.398 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -16.337 -30.797 28.341 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -12.102 -30.442 24.879 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -12.321 -30.065 23.997 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -11.119 -30.383 24.924 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.860 -32.576 22.179 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.233 -33.056 21.592 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.536 -31.668 22.178 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -8.617 -30.968 31.919 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -8.807 -30.218 32.521 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -8.541 -30.547 31.024 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -17.864 -29.814 28.168 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -17.494 -29.102 27.618 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -18.817 -29.817 27.945 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -9.395 -31.374 15.656 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -9.144 -30.523 15.269 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -10.289 -31.556 15.283 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.345 -31.782 32.521 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -11.511 -32.265 32.334 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -12.713 -31.588 31.632 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.921 -29.525 21.286 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -17.650 -29.016 21.697 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -17.343 -30.353 20.986 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -16.249 -27.798 19.355 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.157 -28.356 18.558 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -16.374 -28.446 20.089 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -17.757 -31.971 20.269 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -17.302 -32.412 21.020 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -18.712 -32.154 20.425 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.880 -35.161 15.466 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.829 -34.539 16.205 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -14.969 -35.519 15.392 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -20.447 -32.079 20.548 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -21.074 -32.517 19.925 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -20.997 -31.825 21.296 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -14.022 -34.246 30.821 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -13.674 -33.390 30.496 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -14.334 -34.691 30.029 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.362 -33.112 18.110 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.998 -32.446 17.491 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -16.797 -32.579 18.812 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -18.781 -33.885 17.022 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -17.911 -33.810 17.463 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -18.572 -33.816 16.064 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -21.281 -32.571 14.413 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -21.790 -32.944 13.664 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -21.451 -33.195 15.151 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -19.901 -29.453 15.693 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -19.989 -30.164 16.370 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.082 -29.681 15.214 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -13.765 -33.889 33.539 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -13.369 -33.042 33.245 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -13.996 -34.343 32.701 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -16.338 -29.245 16.878 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -16.721 -29.238 15.976 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -15.721 -30.003 16.863 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -19.801 -31.380 17.636 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -19.690 -31.323 18.598 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -19.484 -32.282 17.410 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -13.179 -33.781 16.658 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -12.624 -33.860 17.463 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -13.100 -34.659 16.227 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -21.716 -29.972 13.695 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -21.693 -30.911 13.989 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -21.150 -29.510 14.347 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -14.526 -32.543 35.865 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -14.341 -33.306 35.282 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -14.165 -32.814 36.741 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -14.367 -33.547 20.098 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -13.507 -33.731 19.684 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.006 -33.614 19.364 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.237 -31.755 29.866 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -14.108 -31.478 29.492 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.604 -31.581 29.141 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -12.161 -29.410 22.340 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -11.824 -28.544 22.091 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -11.958 -29.975 21.573 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -18.328 -28.813 30.701 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -18.059 -29.320 29.904 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -17.582 -28.945 31.333 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.810 -31.297 33.745 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -15.366 -31.552 34.579 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -15.947 -32.132 33.286 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -20.685 -29.321 27.940 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -20.880 -29.231 28.903 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -21.496 -29.685 27.569 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.107 -28.998 32.297 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -15.237 -29.001 31.833 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -16.057 -29.774 32.903 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.635 -27.653 17.344 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -19.273 -28.094 16.742 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.844 -28.226 17.312 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -12.318 -30.997 35.146 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -12.322 -31.228 34.189 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -13.124 -31.424 35.497 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -10.655 -35.376 37.085 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -10.067 -36.060 36.758 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -10.935 -34.892 36.271 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.897 -31.373 38.160 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -15.232 -31.984 38.527 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -15.855 -31.527 37.204 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -18.124 -28.761 40.759 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -18.976 -28.468 40.421 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -18.346 -29.408 41.436 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.411 -30.437 39.063 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -12.420 -29.706 39.721 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -11.516 -30.820 39.151 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -13.547 -32.821 38.424 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -12.871 -33.423 38.797 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.221 -31.923 38.660 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.890 -28.822 39.188 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.931 -29.753 38.867 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -16.679 -28.736 39.767 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -12.142 -28.225 40.599 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -12.933 -27.691 40.378 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -11.845 -27.863 41.465 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -11.769 -14.947 -11.171 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -12.036 -14.138 -11.674 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -11.532 -15.581 -11.855 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -13.371 -14.946 -8.878 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -12.934 -15.174 -9.722 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -13.689 -14.030 -9.015 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -14.413 -16.477 -5.234 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.458 -16.472 -6.196 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.476 -17.430 -4.995 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -14.921 -11.431 -7.091 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -15.712 -11.128 -7.593 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -15.266 -12.149 -6.512 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -11.370 -14.934 -7.050 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.083 -14.952 -7.726 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.659 -15.568 -6.387 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.437 -13.944 -1.121 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -16.079 -13.621 -0.446 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -14.601 -14.052 -0.617 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -14.294 -14.242 -3.619 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -14.291 -15.153 -4.000 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -14.764 -14.339 -2.762 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -11.526 -8.422 -4.465 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.186 -8.776 -5.103 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -12.048 -7.820 -3.893 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.697 -12.261 -9.368 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -14.133 -11.813 -10.127 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -14.118 -11.860 -8.577 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.215 -13.167 0.812 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -17.210 -13.002 1.767 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -18.106 -13.529 0.635 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -10.434 -15.013 -3.019 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -9.958 -15.551 -3.666 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -10.477 -15.582 -2.225 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.823 -15.284 4.030 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.261 -16.156 3.943 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -14.868 -15.485 3.911 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -12.098 -12.909 -2.599 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -11.485 -13.665 -2.750 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -12.943 -13.211 -2.993 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -11.051 -12.873 -9.423 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -11.068 -13.701 -9.943 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -11.986 -12.561 -9.445 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -10.425 -17.633 1.806 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -10.741 -17.903 2.692 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -9.487 -17.367 1.954 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -14.425 -19.207 -4.782 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -14.927 -20.004 -4.974 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.545 -19.537 -4.505 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -6.316 -28.330 -4.211 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -6.078 -28.975 -4.883 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -5.467 -28.116 -3.769 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -17.522 -11.609 -3.853 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.960 -12.072 -4.510 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -17.855 -12.334 -3.278 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.050 -13.271 -5.469 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.325 -13.562 -4.868 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -16.536 -14.084 -5.661 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.681 -9.782 -8.537 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -20.587 -10.111 -8.538 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -19.444 -9.732 -7.587 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.016 -10.526 -8.529 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -17.950 -10.425 -8.794 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.532 -9.910 -9.122 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -13.425 -9.378 -6.155 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -13.579 -8.757 -6.900 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -13.839 -10.220 -6.458 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -16.918 -17.878 3.894 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.080 -18.668 4.459 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -17.818 -17.554 3.678 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -12.630 -14.258 7.406 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -12.499 -14.757 8.250 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -13.532 -14.510 7.124 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -13.230 -12.556 5.356 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -12.852 -12.983 6.153 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.179 -12.573 5.508 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -17.098 -15.505 9.520 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.711 -16.178 8.929 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -16.525 -15.528 10.311 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -21.239 -26.852 4.579 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -20.279 -26.712 4.586 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -21.356 -27.709 4.123 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -16.698 -24.223 6.271 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -16.056 -24.618 6.905 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.779 -23.292 6.566 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -22.591 -25.623 6.650 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -22.041 -25.979 5.916 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -22.008 -24.996 7.107 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -23.522 -28.891 9.538 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -24.009 -28.391 8.842 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -22.605 -28.573 9.458 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.900 -20.079 5.275 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -17.976 -20.830 4.639 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -18.783 -20.033 5.690 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.810 -20.102 8.714 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -20.803 -20.228 7.737 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.606 -19.167 8.832 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -24.286 -27.651 7.245 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -23.681 -26.898 7.062 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -23.956 -28.370 6.658 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -20.908 -30.771 8.673 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -20.960 -31.106 9.593 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.891 -29.796 8.780 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.252 -12.939 3.861 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.602 -13.675 3.948 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -18.098 -13.395 3.659 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -15.202 -14.818 6.639 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -15.376 -15.679 7.088 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -15.532 -14.955 5.727 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -21.955 -20.495 -2.314 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -22.890 -20.491 -2.548 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -21.601 -21.271 -2.761 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -14.541 -18.240 2.517 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -15.398 -18.156 2.994 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -14.582 -19.132 2.109 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -21.764 -23.652 8.668 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -22.326 -22.867 8.686 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -21.082 -23.476 9.340 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.539 -17.206 7.934 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.658 -17.348 8.360 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -15.792 -18.086 7.626 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -14.396 -20.800 1.408 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -13.660 -20.999 2.040 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -13.990 -20.887 0.540 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -26.082 -25.784 6.134 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -25.237 -25.341 6.033 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -25.860 -26.622 6.570 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -21.406 -17.986 4.710 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -22.000 -17.235 4.814 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.647 -17.624 4.206 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -12.547 -26.360 3.806 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -12.739 -27.066 3.178 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -13.440 -26.060 4.110 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -19.589 -14.165 3.029 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -19.767 -14.152 2.063 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -20.090 -13.389 3.378 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -23.119 -29.643 5.752 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -22.609 -29.446 4.948 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -22.801 -30.525 6.027 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -22.034 -25.887 10.292 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -22.119 -25.375 11.119 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -22.205 -25.234 9.587 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -20.620 -20.250 5.980 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -20.989 -19.448 5.532 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.824 -20.973 5.375 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.357 -22.202 3.640 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -18.854 -22.520 2.883 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.430 -22.490 3.454 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.267 -21.146 15.809 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.090 -21.653 15.968 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -18.806 -21.660 15.106 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -21.797 -26.372 14.389 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -21.890 -27.220 13.936 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -21.843 -25.705 13.667 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -19.205 -27.348 7.238 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -19.210 -26.689 6.508 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.337 -27.213 7.674 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -13.446 -17.339 13.539 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -13.696 -17.994 14.233 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -13.809 -17.721 12.711 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -15.907 -22.846 2.639 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -15.232 -23.515 2.809 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -15.430 -22.133 2.171 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -20.635 -18.437 -1.082 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -20.953 -18.702 -0.216 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -21.029 -19.100 -1.693 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -20.289 -18.690 16.691 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -21.098 -19.073 17.040 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -19.832 -19.443 16.263 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -14.819 -15.686 11.051 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -14.941 -16.610 11.340 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -14.047 -15.734 10.429 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -14.555 -18.428 11.243 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -14.816 -19.354 11.161 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -13.991 -18.266 10.443 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -13.168 -13.947 0.448 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -12.873 -13.745 1.366 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -12.946 -14.894 0.335 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -12.695 -14.640 12.912 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -11.831 -14.642 12.462 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -12.991 -15.570 12.866 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -13.242 -16.271 3.871 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -12.540 -16.738 4.361 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -13.651 -16.973 3.320 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.685 -21.614 7.328 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -15.813 -21.205 7.538 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -17.034 -21.065 6.601 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.389 -16.875 3.209 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.537 -17.000 2.264 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -19.408 -15.896 3.326 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -18.925 -25.439 5.309 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.382 -24.694 4.905 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.062 -25.061 5.599 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -18.621 -29.667 5.755 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.569 -30.412 6.395 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -19.062 -28.952 6.257 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -17.876 -13.987 -2.466 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -18.270 -14.834 -2.189 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -16.975 -14.008 -2.090 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.687 -13.905 16.500 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -19.498 -13.394 16.473 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -18.970 -14.789 16.830 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -16.739 -16.672 18.222 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -16.716 -17.651 18.345 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.676 -16.487 17.983 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.793 -16.427 -1.291 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.540 -17.075 -1.316 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.007 -16.973 -1.411 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -14.402 -20.384 8.140 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -13.858 -19.569 8.263 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -14.348 -20.835 9.004 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -21.452 -22.814 15.844 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -21.882 -22.491 15.023 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -22.042 -23.532 16.154 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -14.244 -18.925 15.606 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -15.063 -19.444 15.740 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -14.119 -18.450 16.450 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -10.547 -16.996 -0.974 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -11.505 -16.907 -0.801 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -10.186 -17.310 -0.125 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -21.795 -24.366 12.576 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -20.996 -24.006 12.146 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -22.240 -23.577 12.952 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -21.793 -21.211 11.097 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.059 -21.851 11.072 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -21.621 -20.623 10.337 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -16.641 -20.291 15.760 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.633 -20.438 14.804 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -17.552 -20.536 16.029 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -22.896 -25.057 16.507 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -23.811 -25.296 16.319 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -22.372 -25.587 15.857 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -20.816 -28.071 9.317 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -20.296 -27.771 8.537 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -21.211 -27.241 9.676 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -22.828 -21.935 13.547 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -23.600 -21.390 13.742 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -22.469 -21.552 12.711 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -17.929 -22.641 13.988 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.009 -22.842 13.721 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -18.371 -23.516 13.995 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.477 -24.661 16.758 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.271 -24.945 15.844 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -20.106 -23.928 16.640 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -19.071 -8.340 -2.168 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -19.673 -9.015 -1.837 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.205 -8.798 -2.226 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -11.544 -18.522 4.214 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -10.912 -19.267 4.270 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.411 -18.952 4.175 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -12.760 -16.769 0.661 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -11.948 -17.055 1.134 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -13.484 -17.183 1.161 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -10.045 -21.466 -2.526 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -10.456 -21.589 -1.663 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -10.769 -21.131 -3.090 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -12.339 -21.380 3.041 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -12.220 -22.356 3.109 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -11.456 -21.024 3.244 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -11.444 -23.927 3.036 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -11.826 -24.778 3.336 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -10.775 -24.187 2.364 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -15.086 -25.771 4.502 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -15.606 -25.073 4.940 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -15.531 -26.604 4.774 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -9.521 -24.674 1.245 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -9.322 -24.338 0.341 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -9.512 -25.651 1.141 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -12.403 -13.729 3.049 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -12.657 -13.169 3.818 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -12.630 -14.638 3.333 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.023 -13.482 14.360 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -14.671 -14.252 13.882 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.398 -13.861 15.183 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.827 -13.232 8.764 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -15.461 -13.662 7.963 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -16.377 -13.936 9.177 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -13.902 -12.785 10.780 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -13.848 -13.685 11.160 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.440 -12.902 9.971 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -18.515 -31.642 7.642 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -19.353 -31.336 8.055 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -18.549 -32.606 7.730 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.385 -27.956 5.571 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.108 -28.602 5.439 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -16.493 -27.663 6.491 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -19.686 -14.348 0.290 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -20.233 -13.861 -0.342 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -19.350 -15.117 -0.227 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.728 -25.795 21.788 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.104 -26.328 21.273 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -17.415 -26.440 22.072 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.823 -21.523 25.907 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -14.560 -22.411 26.156 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -15.114 -21.613 24.971 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -21.960 -18.949 24.426 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -22.044 -19.888 24.152 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -22.800 -18.556 24.179 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -16.282 -15.024 24.412 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.635 -15.897 24.695 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.365 -15.222 24.115 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -19.920 -17.407 25.388 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.583 -18.017 24.989 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -20.395 -16.982 26.107 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.465 -26.689 29.612 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.551 -26.483 30.569 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -16.371 -26.573 29.266 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -19.780 -15.019 22.150 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -19.693 -15.483 22.991 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.973 -14.466 22.097 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.421 -18.763 23.507 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -14.699 -18.432 24.076 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -16.231 -18.374 23.900 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -12.098 -17.309 30.556 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -12.441 -17.974 29.926 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -12.635 -17.453 31.365 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -15.486 -21.595 23.223 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -15.422 -20.618 23.279 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.779 -21.758 22.303 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.399 -19.374 18.451 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -15.489 -19.530 18.804 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -16.398 -19.816 17.581 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.225 -17.489 25.131 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -16.950 -18.000 25.914 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.212 -17.470 25.188 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -17.238 -13.837 22.173 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -16.756 -14.369 21.494 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -16.974 -14.245 23.028 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -10.855 -14.903 29.858 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -11.234 -15.745 30.197 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -11.518 -14.596 29.198 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.785 -15.414 20.508 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -16.227 -15.808 19.733 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -15.182 -16.118 20.822 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -13.846 -15.521 23.341 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.829 -16.100 22.555 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.439 -14.684 23.034 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -21.041 -29.003 30.611 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -21.410 -28.996 31.498 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -20.071 -28.914 30.751 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -16.362 -21.687 20.566 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -15.432 -21.736 20.203 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -16.696 -20.839 20.234 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.478 -24.863 32.110 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -19.368 -24.866 32.478 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.066 -24.044 32.481 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.473 -24.420 23.965 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.913 -24.890 23.231 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -15.447 -23.493 23.672 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -18.893 -25.234 14.138 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -19.638 -25.815 13.921 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.096 -25.810 14.024 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.453 -19.647 31.073 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.439 -20.621 30.910 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -16.146 -19.532 31.763 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -22.455 -21.540 23.463 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -23.144 -22.207 23.528 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -21.767 -21.962 22.926 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.775 -26.600 19.617 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -20.565 -26.059 19.413 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.562 -27.045 18.771 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -20.847 -23.987 21.522 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -21.265 -24.254 20.679 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -19.914 -23.807 21.278 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -18.267 -26.275 29.685 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -18.349 -27.166 30.089 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -18.392 -25.661 30.436 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -20.952 -15.565 19.747 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -20.459 -15.399 20.583 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -21.833 -15.228 19.924 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -19.403 -16.278 17.612 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -19.958 -16.093 18.409 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -19.756 -17.133 17.266 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -16.570 -15.969 31.218 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -16.618 -16.641 30.510 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -16.024 -15.266 30.836 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -15.608 -19.070 26.804 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -15.469 -19.994 26.493 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.883 -18.569 26.389 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.306 -17.832 29.150 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -16.059 -18.481 29.837 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -16.146 -18.305 28.306 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.032 -17.252 17.786 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.793 -17.971 18.420 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.929 -16.983 18.062 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -15.284 -15.293 28.649 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.667 -16.188 28.706 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -15.917 -14.795 28.079 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -13.890 -28.684 30.765 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.256 -27.973 30.205 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.125 -29.002 30.277 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -18.169 -23.720 20.691 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -17.675 -24.360 21.247 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -17.600 -22.915 20.690 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -15.500 -22.307 30.680 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -16.282 -22.756 30.342 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -15.158 -22.911 31.374 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -18.824 -27.574 22.003 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -19.195 -27.305 21.132 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -19.484 -27.237 22.654 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -22.078 -32.931 18.542 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -22.108 -33.683 17.920 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -21.729 -32.201 18.011 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.353 -19.509 29.298 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -13.703 -20.048 28.582 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -14.055 -19.531 29.978 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.500 -14.365 25.524 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -12.961 -15.092 25.070 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.439 -13.665 24.845 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -13.251 -15.620 15.729 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.509 -16.182 16.496 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -13.335 -16.218 14.957 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.234 -17.531 21.359 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.723 -18.051 22.032 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.013 -18.196 20.659 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.625 -16.772 33.594 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -18.235 -16.069 33.833 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.212 -16.457 32.750 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -22.042 -25.010 19.177 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -22.907 -25.291 19.494 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -22.158 -24.928 18.206 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -17.237 -22.682 33.187 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -17.200 -21.718 33.291 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -16.306 -22.966 33.261 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.067 -15.767 39.346 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.536 -14.953 39.156 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.840 -16.127 38.461 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -14.710 -24.024 32.699 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -13.781 -24.300 32.804 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -15.199 -24.873 32.604 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -16.100 -26.281 32.232 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.026 -25.977 32.327 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -16.140 -27.243 32.441 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -9.651 -11.013 26.672 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -10.408 -11.608 26.705 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -9.269 -11.059 27.572 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -13.345 -11.484 28.824 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -13.211 -12.445 28.675 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -12.528 -11.193 29.238 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.444 -18.377 32.700 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.098 -18.889 32.195 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -13.958 -18.025 33.467 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -12.874 -14.112 28.219 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -13.727 -14.579 28.402 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.751 -14.210 27.244 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -12.827 -12.937 23.150 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -12.211 -12.386 22.628 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -13.700 -12.510 23.014 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.734 -13.845 26.886 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.599 -14.114 25.956 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -16.367 -12.935 26.930 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -15.653 -11.343 27.317 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -16.126 -10.616 27.725 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.800 -11.377 27.803 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -19.046 -27.206 27.194 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -19.765 -27.848 27.361 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -18.947 -26.731 28.045 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -20.648 -26.094 23.344 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -20.800 -25.332 22.748 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -20.795 -25.740 24.225 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -16.403 -27.523 26.777 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -16.150 -27.251 25.885 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -17.361 -27.294 26.834 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -16.730 -26.848 13.952 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -15.872 -26.815 13.487 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -16.868 -27.795 14.132 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -8.533 -11.204 18.867 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -8.993 -12.049 18.945 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -9.218 -10.533 19.104 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -13.903 -28.943 37.239 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -14.690 -28.820 37.804 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -13.321 -29.526 37.767 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -10.194 -12.377 30.743 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -10.135 -12.522 31.693 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -10.465 -13.250 30.385 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.154 -17.565 34.609 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.055 -17.218 34.492 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -14.893 -17.267 35.506 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -17.498 -19.494 32.928 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -18.448 -19.634 32.992 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -17.366 -18.591 33.289 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -12.915 -19.035 42.744 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -13.586 -18.806 43.394 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -13.174 -18.524 41.941 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.576 -17.724 40.492 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.751 -18.321 39.735 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.112 -16.921 40.290 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -13.549 -24.738 42.120 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -14.253 -24.262 42.569 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.852 -24.063 41.983 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -10.480 -18.234 32.677 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -11.344 -18.398 33.096 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -10.710 -17.836 31.816 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -11.440 -16.446 37.390 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -10.607 -16.098 37.065 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -11.190 -16.971 38.182 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -11.007 -18.090 39.538 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -10.535 -18.691 40.125 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -11.839 -17.889 40.017 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -13.364 -19.287 38.241 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -13.395 -20.194 38.618 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -12.416 -19.101 38.155 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -12.770 -21.591 39.566 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -12.603 -21.692 40.513 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -12.210 -22.273 39.153 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.669 -25.257 38.041 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -12.115 -24.667 38.597 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -13.295 -25.672 38.678 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -11.682 -26.656 42.776 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -10.977 -26.046 43.061 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -12.445 -26.073 42.601 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -9.762 -24.676 43.247 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -9.118 -25.089 42.620 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -9.251 -24.542 44.053 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -14.232 -26.665 39.805 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -14.563 -26.228 40.604 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -14.905 -27.357 39.608 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -12.401 -0.781 -12.562 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -12.987 -1.142 -13.245 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -12.905 -0.909 -11.729 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -16.420 -4.608 -8.967 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.314 -5.005 -8.888 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -15.914 -5.263 -9.460 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -12.580 -8.704 -14.345 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -12.325 -9.182 -15.167 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -11.979 -7.952 -14.315 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -10.619 -8.548 -8.628 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -10.208 -9.368 -8.977 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -9.869 -8.056 -8.236 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -11.132 1.389 -11.434 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -11.598 2.144 -11.812 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -11.479 0.617 -11.937 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -15.829 1.453 -6.225 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -15.382 1.382 -5.351 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -15.456 2.251 -6.616 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.222 -2.163 -5.120 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -16.812 -2.734 -4.581 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.837 -1.621 -5.660 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -9.321 6.802 -5.895 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -9.578 7.521 -6.479 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -9.318 6.008 -6.480 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -18.328 -9.954 -6.072 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -17.723 -10.423 -6.675 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -18.237 -10.430 -5.222 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -18.594 -5.490 -5.912 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -18.969 -5.795 -5.059 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -18.176 -4.644 -5.695 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -14.305 -3.020 -12.838 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -13.778 -3.799 -12.545 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -14.900 -3.375 -13.505 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.726 -2.040 -8.398 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -16.078 -2.934 -8.623 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -16.483 -1.581 -7.983 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -14.574 -7.621 -7.973 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -15.370 -7.504 -7.410 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -14.926 -8.022 -8.798 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -18.857 -5.819 -8.633 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -18.960 -5.684 -7.667 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -19.730 -5.556 -9.009 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -10.817 0.563 -6.865 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -10.659 0.327 -7.802 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -11.724 0.233 -6.683 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -14.341 5.727 -2.873 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -13.748 6.388 -2.493 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -15.054 6.242 -3.264 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -13.347 -0.253 -6.190 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -14.157 -0.134 -6.705 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -13.550 0.165 -5.328 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -16.904 -7.608 -6.497 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -17.480 -6.816 -6.463 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -17.528 -8.360 -6.401 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -21.264 -5.340 -9.813 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -22.068 -4.824 -9.700 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -21.381 -5.781 -10.662 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -13.916 -1.640 -10.452 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -14.334 -2.159 -11.172 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -14.583 -1.653 -9.728 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -14.338 1.064 -3.921 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -13.996 1.798 -3.359 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -14.719 0.428 -3.278 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -15.326 -0.835 -2.223 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -16.134 -1.130 -2.665 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -15.510 -0.976 -1.266 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -17.675 -3.815 -3.531 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -17.313 -3.723 -2.623 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -18.352 -4.516 -3.444 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -12.826 -1.864 -2.677 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -12.227 -1.125 -2.867 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -13.703 -1.434 -2.559 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -19.426 -5.932 -3.303 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -19.254 -6.821 -2.903 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -20.347 -5.749 -3.077 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -15.251 -8.258 -4.471 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -15.878 -7.915 -5.148 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -14.580 -8.746 -4.995 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -16.575 -9.422 -2.411 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -16.846 -10.293 -2.773 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -16.022 -9.030 -3.124 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -10.063 2.818 -5.575 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -10.792 2.933 -4.958 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -10.283 1.981 -6.054 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -13.112 -0.422 1.868 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -13.491 -1.274 2.151 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -13.178 0.143 2.662 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -10.769 -3.125 -12.411 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -9.822 -2.863 -12.401 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -11.236 -2.318 -12.696 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -10.171 -0.259 -9.395 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -10.528 0.326 -10.095 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -10.600 -1.130 -9.567 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -17.549 -0.561 -6.867 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -16.938 0.193 -6.682 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -18.409 -0.143 -6.988 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.437 -2.566 -9.848 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -11.127 -2.976 -10.681 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -12.348 -2.264 -10.055 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -10.034 -5.043 -8.598 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -10.813 -5.508 -8.970 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -9.473 -5.766 -8.238 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -15.849 -8.626 -10.167 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -16.765 -8.319 -10.372 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -15.389 -8.603 -11.034 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -14.752 -8.718 -12.719 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -13.892 -8.759 -13.207 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -15.289 -8.117 -13.246 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -11.737 -9.924 -16.686 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -11.818 -9.611 -17.594 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -11.450 -10.839 -16.774 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -18.468 -7.987 -10.272 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -18.590 -7.162 -9.759 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -19.018 -8.642 -9.800 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -13.451 3.159 -2.287 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -12.725 3.443 -1.709 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -13.877 4.000 -2.562 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -13.376 0.189 6.661 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -14.250 0.225 7.118 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -12.827 0.826 7.157 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -16.090 -7.322 5.676 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -16.808 -7.778 5.188 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -16.115 -7.730 6.569 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -10.280 -5.338 7.923 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -10.294 -4.781 7.113 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -9.640 -6.053 7.714 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -13.528 -8.186 8.051 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -14.487 -8.380 8.036 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -13.129 -8.993 8.398 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -14.986 3.241 6.953 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -14.784 3.319 5.997 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -14.914 4.162 7.288 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -17.421 -11.103 8.378 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -16.774 -11.848 8.463 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -17.920 -11.134 9.205 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -14.157 1.034 4.080 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -14.105 1.994 4.250 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -13.857 0.627 4.920 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -16.734 -3.788 -0.963 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -17.021 -4.378 -0.246 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -16.551 -2.934 -0.510 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -10.950 -6.775 12.073 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -11.438 -6.278 11.402 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.591 -6.869 12.815 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -14.799 -2.476 2.757 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -15.505 -1.858 3.014 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -14.590 -2.953 3.579 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -15.923 -1.549 0.358 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -15.291 -1.979 0.964 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -16.228 -0.762 0.861 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -11.498 4.538 -0.166 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -10.532 4.522 -0.231 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -11.684 4.197 0.732 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -14.061 -4.336 -2.002 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -13.624 -3.480 -2.197 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -14.994 -4.096 -1.833 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -16.238 -6.795 -1.457 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -16.443 -7.732 -1.633 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -16.985 -6.315 -1.831 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -16.242 -8.662 8.104 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -16.587 -8.269 8.917 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -16.616 -9.575 8.102 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -15.672 0.828 7.949 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -16.337 0.919 8.636 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -15.574 1.737 7.584 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -13.379 -6.898 -3.015 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -14.194 -7.312 -3.374 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -13.696 -6.075 -2.592 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -14.349 -5.804 0.293 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -15.117 -6.265 -0.107 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -14.070 -5.175 -0.394 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -13.968 3.821 4.463 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -13.473 3.772 3.619 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -13.893 4.759 4.725 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -13.493 2.005 0.575 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -13.795 1.967 -0.345 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -13.422 1.062 0.846 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -12.384 7.132 0.151 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -12.952 7.130 0.953 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -12.230 6.182 -0.035 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -16.223 0.312 2.363 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -16.828 1.052 2.471 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -15.434 0.570 2.887 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -16.138 -10.364 3.265 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -16.456 -11.261 3.467 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -16.802 -9.779 3.664 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -16.449 -4.860 2.255 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -16.338 -4.775 3.225 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -15.712 -4.349 1.892 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -18.140 -8.772 4.519 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -18.322 -9.607 5.009 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -19.009 -8.366 4.417 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.661 -9.175 12.860 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -15.121 -9.987 12.540 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -15.157 -8.930 13.676 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -14.602 -3.716 7.218 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -15.046 -3.233 7.925 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -14.004 -4.344 7.694 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -14.164 5.704 7.754 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -14.526 6.156 8.552 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -13.216 5.575 7.961 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -12.262 3.576 2.334 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -12.847 3.110 1.683 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -11.758 2.846 2.760 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -16.167 -11.293 16.425 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -15.393 -11.696 16.858 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -16.780 -12.030 16.303 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -11.412 7.794 6.343 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.534 8.690 6.684 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -10.625 7.868 5.752 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -11.536 1.656 10.470 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -11.129 0.809 10.226 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -11.940 1.976 9.638 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -16.615 -7.520 1.751 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -16.513 -6.542 1.809 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -17.350 -7.715 2.342 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -12.931 -2.292 5.581 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -13.001 -1.370 5.913 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -13.569 -2.791 6.132 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -15.548 -4.748 4.838 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -15.831 -5.630 5.158 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -15.252 -4.285 5.649 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -12.973 -5.507 8.450 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -11.997 -5.433 8.399 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -13.147 -6.470 8.370 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -8.444 -5.554 11.806 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -7.771 -6.054 12.292 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -9.277 -6.030 11.994 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -12.917 -9.718 15.473 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -12.925 -9.299 16.358 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -13.851 -9.681 15.189 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -15.140 6.830 10.065 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -15.930 6.493 10.502 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -14.902 7.612 10.573 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -15.697 -11.603 12.404 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -15.693 -12.219 13.166 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -15.142 -12.052 11.735 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -18.446 -11.188 5.733 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -17.931 -11.888 5.279 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -18.138 -11.228 6.664 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -20.637 -11.953 4.192 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -19.941 -11.611 4.789 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -21.460 -11.656 4.592 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.782 7.193 2.529 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -13.780 6.870 3.453 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -14.547 7.779 2.485 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -16.065 -14.307 16.875 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -16.082 -15.156 17.360 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -17.017 -14.114 16.701 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -13.948 -12.651 17.603 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -14.633 -13.355 17.589 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -13.890 -12.389 18.555 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -13.025 -7.196 13.809 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -12.844 -7.623 14.663 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -13.609 -7.834 13.341 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -15.548 -8.875 15.394 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -15.969 -9.689 15.763 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -15.203 -8.407 16.184 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -13.762 -11.820 20.225 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -14.432 -11.837 20.937 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -12.923 -11.632 20.693 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -13.959 -7.995 17.498 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -14.085 -8.202 18.430 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -13.554 -7.094 17.503 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -15.327 -11.911 22.539 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -16.032 -12.569 22.336 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -15.712 -11.361 23.231 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -11.411 -11.156 21.498 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -11.249 -10.592 20.717 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -10.685 -10.911 22.118 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -14.161 -5.037 14.893 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -13.763 -5.805 14.426 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -15.065 -5.010 14.575 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -11.618 9.581 -0.843 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -11.850 10.206 -0.122 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -12.043 8.742 -0.574 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -8.218 -29.426 5.639 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -7.232 -29.353 5.663 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -8.517 -28.858 6.376 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -7.193 -34.884 12.118 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -7.143 -35.495 11.350 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -7.159 -35.478 12.899 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -0.012 -34.484 6.301 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.756 -34.969 6.683 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.261 -33.548 6.333 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -8.325 -31.218 8.164 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -8.152 -31.714 9.001 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -7.547 -31.395 7.621 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -11.221 -39.032 6.267 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.632 -38.638 5.471 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -11.981 -39.443 6.747 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -9.262 -37.141 6.550 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -9.479 -36.865 7.468 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -9.799 -37.953 6.415 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -2.464 -35.446 6.767 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -1.595 -35.082 6.459 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -2.255 -36.342 7.052 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -7.583 -41.048 9.437 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -7.096 -41.827 9.158 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -8.243 -40.906 8.719 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -4.618 -31.814 4.919 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -4.697 -32.604 5.501 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -3.726 -31.896 4.524 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -4.838 -34.070 6.462 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -5.572 -34.677 6.691 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -4.040 -34.644 6.477 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -0.125 -33.735 10.805 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 0.746 -34.066 10.493 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -0.373 -33.065 10.143 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -9.417 -35.359 2.097 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -10.055 -35.763 1.458 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -9.825 -35.529 2.974 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 0.723 -31.811 6.571 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 1.523 -31.288 6.707 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 0.240 -31.737 7.423 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 0.306 -31.903 3.866 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -0.661 -31.985 3.724 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 0.402 -31.871 4.844 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 4.271 -34.693 14.577 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 4.271 -33.766 14.877 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 5.091 -35.059 14.951 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -6.891 -35.836 7.063 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -7.605 -36.450 6.790 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -6.819 -35.972 8.028 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -2.760 -33.006 8.110 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -2.463 -33.890 7.819 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.666 -32.943 7.774 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -0.702 -31.527 8.952 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -1.060 -30.671 9.213 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -1.493 -32.035 8.638 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -3.907 -33.069 14.289 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -4.244 -32.849 15.198 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -4.678 -32.902 13.707 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -2.384 -31.914 3.233 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -2.862 -31.155 2.824 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -2.461 -32.619 2.579 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -7.419 -36.518 9.902 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -7.477 -37.431 10.255 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.328 -36.334 9.579 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 9.056 -32.328 15.815 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 8.513 -33.090 15.544 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 9.565 -32.092 15.000 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 0.337 -28.635 0.064 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 0.466 -28.976 0.984 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -0.395 -29.159 -0.279 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -6.887 -36.478 14.394 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -6.056 -36.256 14.853 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -7.503 -36.706 15.124 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -6.481 -32.502 13.215 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -6.757 -33.372 12.848 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -7.116 -32.331 13.923 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -0.629 -34.202 13.432 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -1.338 -34.859 13.416 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -0.438 -34.030 12.474 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -7.693 -34.446 4.668 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -7.358 -34.884 5.476 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -7.937 -35.179 4.084 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -10.539 -35.386 16.517 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -10.561 -35.582 15.554 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -10.034 -34.558 16.582 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -8.802 -38.422 13.807 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -8.916 -38.463 14.774 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -8.066 -37.796 13.684 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 6.817 -34.088 15.953 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 7.149 -34.071 16.870 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 6.130 -33.393 15.938 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 3.142 -32.409 3.536 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 3.376 -32.593 4.466 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 2.165 -32.442 3.525 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -10.089 -33.235 5.411 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -10.541 -34.050 5.126 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -9.148 -33.407 5.209 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -5.541 -29.290 5.580 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -5.185 -30.161 5.301 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -4.745 -28.774 5.822 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 2.403 -34.319 10.006 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 2.687 -33.378 10.051 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 2.946 -34.767 10.696 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 3.581 -30.114 2.021 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 3.650 -30.982 2.475 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 2.675 -29.811 2.236 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -9.084 -28.416 8.004 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.758 -29.188 8.499 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -8.411 -27.718 8.173 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -8.049 -34.332 -0.179 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -8.651 -34.700 -0.832 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -8.334 -34.735 0.663 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -6.860 -32.225 3.321 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -7.138 -33.058 3.761 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -6.017 -31.993 3.766 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -4.596 -30.312 -1.811 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -4.273 -29.438 -2.117 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -5.558 -30.232 -1.835 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -6.774 -31.844 -0.145 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -5.875 -32.177 0.012 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -7.325 -32.656 -0.192 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 3.243 -31.703 10.130 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 4.106 -31.958 9.744 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 3.045 -30.845 9.707 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 3.064 -27.953 0.289 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 2.148 -28.200 0.055 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 3.390 -28.711 0.807 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -11.960 -32.030 14.904 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -12.335 -32.714 15.491 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -12.664 -31.875 14.241 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -2.854 -35.075 15.945 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -3.247 -34.496 15.265 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -3.630 -35.507 16.362 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 3.833 -35.550 11.958 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 4.019 -35.152 12.834 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 4.180 -36.443 12.026 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -0.073 -36.195 17.199 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 0.490 -35.817 16.493 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -0.962 -36.192 16.821 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 1.393 -34.973 15.174 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.274 -35.137 14.787 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 0.816 -34.804 14.400 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -4.153 -27.729 -2.575 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -3.363 -27.179 -2.372 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -4.837 -27.406 -1.949 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -12.802 -34.036 -0.232 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -12.529 -33.204 0.217 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -12.857 -33.788 -1.180 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 3.295 -29.432 8.557 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 2.773 -28.623 8.594 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 3.419 -29.592 7.599 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 4.733 -32.307 16.131 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 3.755 -32.257 16.141 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 5.006 -31.863 16.965 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 2.042 -35.621 7.644 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 2.102 -35.090 8.469 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 2.668 -36.334 7.778 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -9.979 -36.467 9.066 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -10.874 -36.068 8.998 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -10.147 -37.339 9.496 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.334 -38.947 11.012 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -7.964 -39.753 10.577 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -8.363 -39.176 11.960 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -8.169 -29.847 2.978 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -8.191 -29.520 3.903 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -7.690 -30.705 3.042 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -2.241 -25.959 -1.686 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -1.358 -25.810 -1.286 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -2.384 -25.173 -2.263 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 0.894 -29.573 2.541 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 0.629 -30.417 2.971 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 1.088 -28.962 3.305 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -7.377 -29.235 0.457 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -7.648 -29.379 1.393 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -7.257 -30.148 0.104 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -3.865 -35.775 25.454 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -3.212 -35.951 24.743 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -4.730 -35.822 24.998 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -1.617 -35.737 29.018 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -1.690 -36.682 29.274 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -1.894 -35.249 29.820 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 2.574 -33.881 24.296 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 1.649 -33.927 24.607 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 2.512 -34.040 23.339 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -4.172 -36.287 28.058 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -4.068 -36.263 27.079 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -3.301 -35.999 28.395 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.955 -33.235 26.543 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -3.133 -34.187 26.421 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -2.878 -32.889 25.617 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -2.696 -38.242 29.429 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -2.941 -39.155 29.596 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -3.464 -37.868 28.958 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -2.519 -35.983 23.061 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -2.946 -36.609 22.434 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -3.078 -35.170 23.002 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 0.889 -32.104 30.966 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 0.043 -32.516 30.743 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 1.532 -32.522 30.339 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -11.747 -30.839 27.631 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -10.803 -30.601 27.758 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -11.818 -31.033 26.673 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -11.673 -33.512 18.981 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -10.834 -33.490 18.476 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -11.583 -32.781 19.616 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 4.860 -33.075 27.892 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 5.816 -33.233 28.051 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 4.791 -32.993 26.923 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -0.492 -31.315 23.630 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 0.054 -32.002 24.028 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -1.404 -31.668 23.696 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -0.008 -35.302 22.178 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -0.890 -35.679 22.387 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -0.067 -35.065 21.228 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -4.085 -37.106 21.168 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -4.269 -36.360 20.572 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -4.962 -37.332 21.544 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 0.359 -34.599 19.439 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -0.096 -33.871 18.979 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 0.298 -35.350 18.808 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -6.611 -37.321 22.161 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.521 -36.822 23.002 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -7.467 -37.751 22.233 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.819 -33.978 30.844 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -3.791 -33.829 30.850 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -2.474 -33.274 30.256 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 0.468 -34.465 27.584 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 0.199 -34.376 26.652 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -0.250 -34.993 27.991 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -3.789 -31.087 33.415 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -3.530 -32.013 33.616 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -4.766 -31.110 33.422 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -5.510 -33.325 31.024 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -6.355 -33.792 30.852 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -5.595 -32.487 30.514 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -6.963 -37.003 18.708 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -7.682 -36.398 19.010 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -6.498 -37.239 19.522 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 5.719 -30.897 18.323 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 6.330 -30.505 17.650 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 5.752 -30.265 19.074 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.029 -34.013 30.144 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -7.564 -34.455 29.396 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -8.557 -33.329 29.720 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 1.980 -31.267 33.333 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 1.601 -31.617 32.494 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 2.131 -32.055 33.870 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.563 -33.836 33.619 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -3.216 -34.073 32.739 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -4.097 -34.593 33.876 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 4.230 -29.686 32.829 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 3.427 -30.224 32.975 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 4.972 -30.306 33.029 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -6.447 -34.702 28.035 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -5.703 -35.336 28.121 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -6.035 -33.894 27.669 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -4.721 -34.607 20.046 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -3.952 -34.177 19.650 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -4.659 -34.377 21.004 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 1.060 -29.359 30.814 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 1.073 -29.083 31.751 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 0.968 -30.335 30.853 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 4.824 -34.663 19.607 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 4.235 -34.567 20.380 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 4.332 -35.231 19.005 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -5.458 -32.302 27.025 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -4.503 -32.507 26.907 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -5.774 -32.126 26.127 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -0.198 -34.067 24.705 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -0.122 -34.612 23.893 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -1.133 -33.791 24.715 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 2.009 -32.423 15.871 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 1.651 -32.136 16.740 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 1.772 -33.376 15.816 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -1.607 -28.037 29.704 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -1.741 -27.420 30.456 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -1.891 -28.902 30.056 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.563 -34.678 21.395 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 2.051 -34.348 20.634 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 1.926 -35.240 21.875 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -9.183 -35.532 19.254 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -9.171 -34.769 18.648 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -10.122 -35.710 19.388 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -6.617 -33.559 18.306 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -5.933 -33.062 17.785 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -6.104 -33.993 19.018 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 4.415 -30.353 28.454 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 4.913 -30.171 27.621 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 4.443 -31.323 28.536 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -6.523 -35.878 24.531 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -6.918 -35.849 25.412 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -6.730 -34.993 24.143 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -7.725 -31.066 35.392 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -7.111 -30.934 36.148 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -7.165 -31.485 34.697 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 2.414 -33.358 29.126 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 1.750 -33.794 28.538 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 3.189 -33.219 28.548 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -8.556 -37.319 16.446 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -9.345 -36.784 16.677 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -8.055 -37.382 17.287 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -1.351 -33.278 17.441 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.020 -32.567 17.591 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -1.874 -34.023 17.078 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -5.420 -35.774 16.726 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -5.743 -34.899 17.003 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -5.819 -36.389 17.376 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -9.210 -33.216 17.637 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -8.258 -33.280 17.906 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -9.215 -32.504 16.952 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -9.431 -30.127 25.251 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -9.311 -29.745 26.158 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -8.615 -29.899 24.789 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 7.166 -32.743 30.779 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 6.430 -33.393 30.826 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 7.530 -32.867 29.884 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 5.022 -34.419 30.400 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 4.200 -34.815 30.708 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 4.787 -34.023 29.544 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -10.009 -33.246 32.346 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -9.528 -33.878 31.787 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -9.479 -32.418 32.281 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -6.013 -31.123 29.497 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.926 -30.742 29.480 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -5.875 -31.462 28.586 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -1.723 -29.036 33.540 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -2.420 -29.483 34.053 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -1.849 -29.373 32.629 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -1.783 -26.659 32.006 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -1.877 -27.285 32.752 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -1.522 -25.820 32.431 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -1.985 -32.044 29.048 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -1.285 -31.467 28.712 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -2.317 -32.505 28.247 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 2.046 -28.980 28.333 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 1.649 -29.155 29.208 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 2.883 -29.493 28.346 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.866 -33.525 23.250 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -7.240 -33.090 22.479 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -5.903 -33.613 23.036 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 6.284 -31.432 33.023 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 6.566 -31.942 32.232 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 7.097 -31.019 33.337 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -11.344 -34.185 39.389 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -11.360 -34.905 40.028 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -11.089 -34.623 38.538 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -8.302 -27.437 39.493 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -8.114 -28.400 39.472 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -9.205 -27.361 39.115 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 1.013 -28.666 33.518 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 0.043 -28.697 33.681 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 1.317 -29.577 33.715 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -6.182 -30.471 37.592 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -5.415 -30.853 38.030 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -6.832 -30.335 38.319 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -6.440 -28.009 36.306 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -7.418 -28.111 36.391 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -6.087 -28.856 36.643 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -10.089 -31.076 36.715 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -10.898 -31.101 36.153 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -9.356 -31.277 36.091 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -9.974 -31.783 39.293 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -10.386 -32.667 39.413 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -9.988 -31.643 38.315 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -6.416 -25.991 38.157 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -7.159 -26.350 38.685 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -6.337 -26.613 37.409 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -11.253 -34.234 34.694 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -10.730 -33.864 33.955 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -12.164 -34.276 34.343 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -10.806 -27.332 38.415 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -11.465 -26.691 38.080 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -11.252 -27.751 39.185 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -7.845 -30.152 39.748 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -7.714 -30.152 40.703 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -8.628 -30.739 39.612 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -8.787 -29.026 33.846 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -8.372 -29.626 34.507 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -8.173 -28.269 33.793 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -7.940 -22.341 -6.398 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -7.771 -22.032 -5.479 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -7.425 -23.153 -6.472 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -4.924 -18.667 -11.064 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -5.079 -19.607 -11.184 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -5.639 -18.381 -10.456 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -7.541 -18.720 -5.090 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -8.198 -18.310 -4.484 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -6.834 -18.043 -5.164 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -8.974 -17.561 -3.121 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -9.562 -17.521 -2.336 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -8.331 -16.828 -2.976 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 3.423 -15.729 -4.605 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 3.470 -16.710 -4.605 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 3.469 -15.490 -5.557 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 6.894 -21.700 -6.491 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 5.989 -22.008 -6.274 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 6.808 -21.316 -7.368 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -0.106 -21.773 -5.455 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 0.747 -22.161 -5.162 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 0.152 -21.132 -6.162 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -7.517 -19.827 -7.596 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -7.561 -19.359 -6.735 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -7.630 -20.767 -7.359 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -7.210 -15.490 -2.965 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -6.645 -15.809 -3.699 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -6.740 -14.708 -2.626 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 3.740 -15.756 -1.795 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 4.032 -16.693 -1.702 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 3.642 -15.632 -2.766 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -5.786 -15.243 -9.502 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -5.067 -15.377 -10.166 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -6.179 -16.133 -9.400 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 2.681 -20.370 -2.908 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 1.883 -20.193 -2.362 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 3.423 -20.205 -2.305 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 2.126 -22.683 -4.162 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 1.924 -23.276 -3.405 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 2.373 -21.829 -3.736 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -7.720 -21.211 -3.916 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -7.661 -20.289 -4.257 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -8.554 -21.221 -3.390 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -2.681 -24.564 1.731 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -3.413 -24.801 1.122 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -2.255 -25.428 1.939 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -8.137 -26.711 -2.894 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -9.001 -27.125 -2.998 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -7.544 -27.243 -3.474 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.626 -20.056 -7.461 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 1.241 -19.315 -7.249 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 0.497 -19.988 -8.410 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 1.763 -8.276 -3.250 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 2.283 -8.119 -4.044 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 2.271 -7.819 -2.535 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.217 -23.779 -2.933 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -2.959 -23.578 -3.861 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -4.094 -23.357 -2.835 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 4.430 -22.679 -5.697 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 4.600 -23.640 -5.790 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 3.526 -22.633 -5.318 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -5.813 -16.565 -5.063 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -4.865 -16.731 -5.135 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -5.985 -15.854 -5.729 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -6.959 -17.861 -9.405 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -7.062 -18.551 -8.705 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -7.845 -17.767 -9.773 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -5.407 -22.049 -2.781 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -6.300 -21.852 -3.147 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -4.811 -21.449 -3.280 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 1.182 -14.276 -3.934 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 1.176 -13.469 -4.465 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 1.934 -14.793 -4.289 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 6.183 -17.713 -3.677 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 6.582 -16.863 -3.892 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 6.870 -18.375 -3.929 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -3.961 -16.153 -11.368 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -3.237 -16.147 -11.999 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -4.237 -17.097 -11.328 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 2.384 -18.005 -6.997 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 2.612 -17.071 -7.156 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 2.880 -18.238 -6.184 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 0.711 -14.003 -7.180 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -0.027 -14.618 -7.106 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 0.391 -13.189 -6.731 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -8.993 -24.068 -1.370 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -9.026 -23.290 -1.945 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -8.646 -24.773 -1.940 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -1.420 -20.993 -3.129 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -1.102 -21.487 -2.350 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -0.797 -21.244 -3.845 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 5.629 -23.101 -2.074 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 5.164 -23.867 -2.473 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 5.526 -22.383 -2.741 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -2.526 -18.470 -2.840 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -3.164 -18.735 -3.520 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -1.829 -19.152 -2.893 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -9.941 -12.460 1.193 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -10.381 -11.999 1.916 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -9.983 -13.390 1.447 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 3.696 -18.461 -4.635 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 3.298 -19.208 -4.135 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 4.614 -18.409 -4.296 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -5.782 -22.843 -0.180 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -5.360 -23.726 -0.160 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -5.760 -22.590 -1.126 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 4.259 -25.281 -3.060 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 4.524 -25.442 -3.991 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 3.308 -25.082 -3.114 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -3.792 -20.554 -4.394 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -2.937 -20.744 -3.947 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -3.764 -21.099 -5.193 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 1.823 -24.356 -1.946 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 2.549 -24.464 -1.303 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 1.063 -24.805 -1.521 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.238 -25.873 -0.245 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 0.293 -26.852 -0.286 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 0.610 -25.654 0.632 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -4.457 -25.235 -0.221 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -5.178 -25.884 -0.393 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -3.714 -25.550 -0.778 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -2.493 -23.087 -5.488 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -1.641 -22.594 -5.426 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -2.393 -23.627 -6.277 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -1.972 -22.799 -0.628 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -2.091 -23.417 0.111 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -2.452 -23.213 -1.369 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -14.747 -11.264 -11.720 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -14.682 -10.327 -12.013 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -15.567 -11.578 -12.120 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 3.098 -15.263 -7.294 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 2.264 -14.731 -7.301 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 3.540 -15.018 -8.113 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -11.824 -20.123 -4.253 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -11.247 -19.349 -4.214 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -11.445 -20.669 -4.987 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 4.823 -18.211 -1.312 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 5.422 -18.215 -2.087 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 5.407 -18.410 -0.556 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 7.457 -24.325 -5.745 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 7.501 -23.391 -6.027 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 8.142 -24.394 -5.040 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 4.990 -25.390 -5.732 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 5.935 -25.090 -5.731 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 4.971 -26.105 -6.378 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -10.621 -21.547 -6.220 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -10.982 -21.727 -7.093 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.693 -21.857 -6.275 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 6.046 -21.328 -0.040 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 5.848 -21.975 0.677 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 5.797 -21.808 -0.859 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -6.155 -14.493 -6.786 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.953 -13.536 -6.736 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -5.922 -14.738 -7.704 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -2.516 -12.294 -4.235 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -2.988 -12.677 -3.485 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -2.907 -11.398 -4.331 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -0.228 -11.961 -5.654 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -1.066 -12.221 -5.196 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 0.293 -11.504 -4.952 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -5.907 -11.687 -7.076 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -6.257 -11.841 -7.973 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -5.200 -11.026 -7.204 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -9.248 -10.815 -9.368 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -8.402 -11.280 -9.483 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -9.924 -11.521 -9.470 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -7.180 -12.827 -9.313 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -7.980 -13.350 -9.177 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -6.500 -13.495 -9.548 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -6.256 -27.113 -0.944 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -6.999 -26.872 -1.542 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -6.629 -27.820 -0.372 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -3.952 -32.298 -0.140 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -3.570 -33.037 -0.627 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -4.103 -31.604 -0.832 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 3.909 -25.419 -0.286 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 3.663 -26.346 -0.054 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 4.274 -25.491 -1.190 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 1.232 -14.462 -1.265 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 0.946 -14.405 -2.208 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 2.185 -14.657 -1.323 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 3.349 -29.806 5.785 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 2.603 -29.291 5.384 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 4.146 -29.457 5.326 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 3.673 -15.715 1.024 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 4.315 -15.015 1.234 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 3.749 -15.822 0.053 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -0.356 -12.302 4.542 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 0.113 -12.721 5.298 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.179 -11.950 4.935 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -0.202 -12.124 -0.436 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 0.328 -12.809 -0.888 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.029 -12.237 0.514 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.585 -12.799 2.075 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.233 -12.591 2.978 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 0.618 -13.772 2.052 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -1.276 -26.674 2.720 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -1.352 -27.501 3.216 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -0.319 -26.618 2.494 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 1.374 -26.160 2.414 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 1.402 -26.155 3.406 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 2.207 -26.581 2.160 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 4.150 -18.037 2.589 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 4.890 -18.385 2.052 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 4.015 -17.132 2.247 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.867 -16.875 2.176 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.605 -15.943 2.006 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.391 -17.111 2.998 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 7.291 -10.256 2.309 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 8.082 -9.846 1.954 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 7.286 -9.988 3.255 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -2.656 -13.466 -0.667 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -2.273 -14.308 -0.377 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -1.903 -12.848 -0.671 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 0.980 -15.505 1.249 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 1.954 -15.436 1.356 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 0.806 -15.086 0.376 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 5.071 -23.428 1.359 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 4.656 -24.131 0.815 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 5.206 -23.849 2.232 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 6.903 -26.707 2.814 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 7.236 -26.349 1.960 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 6.347 -25.979 3.177 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 3.179 -12.139 7.699 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 3.842 -11.570 7.264 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 3.615 -12.405 8.546 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -9.498 -27.422 0.860 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -8.714 -27.946 0.610 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -10.134 -28.079 1.160 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -4.002 -30.247 1.764 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -4.824 -29.758 1.643 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -4.037 -30.949 1.085 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -0.957 -9.479 0.295 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -1.369 -9.635 1.163 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -0.758 -10.375 -0.040 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 4.204 -9.974 3.962 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 4.754 -10.758 4.190 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 3.597 -10.303 3.264 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 4.534 -16.781 31.335 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 3.952 -16.007 31.202 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 4.412 -17.312 30.525 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.386 -17.739 31.103 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -4.054 -18.312 30.399 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -4.856 -18.350 31.706 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -4.529 -14.754 28.282 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -4.574 -14.932 29.246 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -5.301 -14.175 28.115 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 7.103 -14.484 30.036 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 7.880 -14.036 29.634 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 6.331 -14.045 29.620 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -2.350 -15.788 31.545 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.497 -15.498 32.471 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -3.000 -16.503 31.414 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -7.416 -13.802 20.966 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -7.188 -14.515 21.576 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -8.223 -14.126 20.508 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 1.895 -22.207 31.916 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 2.733 -21.720 31.749 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 2.070 -22.704 32.735 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 5.137 -18.121 28.926 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 4.672 -17.474 28.347 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 6.046 -17.763 28.995 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -2.398 -16.504 27.375 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -3.284 -16.147 27.557 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.790 -15.848 27.782 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 4.940 -13.468 28.707 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 4.286 -13.897 29.316 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 4.397 -12.851 28.174 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -6.800 -13.142 28.384 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -7.229 -13.788 28.987 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -7.264 -12.300 28.574 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 4.284 -10.919 24.657 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 4.268 -11.151 25.604 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 3.806 -11.661 24.222 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -8.072 -14.831 30.202 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -8.993 -14.870 29.872 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -8.136 -15.181 31.123 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -5.358 -15.142 30.848 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.282 -15.104 30.526 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -5.143 -16.100 30.860 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 1.846 -11.451 31.396 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 2.355 -10.635 31.182 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 2.514 -12.043 31.819 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 1.863 -24.346 33.659 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 2.525 -25.047 33.780 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.565 -24.131 34.579 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -2.483 -30.221 31.135 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -3.053 -30.592 31.846 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -2.508 -30.898 30.432 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -6.413 -31.909 33.203 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -5.983 -32.561 32.613 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -7.192 -31.599 32.687 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -9.162 -10.238 22.739 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.394 -10.337 22.146 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.764 -10.163 23.630 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.655 -10.272 25.059 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -8.480 -10.495 25.554 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -6.999 -10.921 25.388 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 7.051 -12.978 26.927 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 7.791 -13.285 27.490 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 6.265 -13.081 27.490 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 9.202 -13.627 28.533 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 9.820 -14.355 28.790 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 9.779 -12.961 28.135 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 4.828 -17.335 37.847 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 5.413 -17.300 38.610 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 3.960 -17.598 38.223 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 6.016 -15.273 25.105 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 5.671 -15.576 24.237 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 6.318 -14.366 24.939 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 4.660 -15.921 27.401 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.848 -15.121 27.924 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 5.137 -15.771 26.555 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 5.335 -17.346 19.476 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 4.438 -17.521 19.099 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 5.153 -16.981 20.352 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 4.888 -18.797 33.153 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.191 -18.277 33.924 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 4.604 -18.116 32.507 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 4.381 -21.060 31.638 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 4.494 -20.246 32.176 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 5.251 -21.470 31.645 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 4.990 -20.019 26.941 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 4.982 -19.469 27.754 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 4.663 -20.891 27.234 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 5.610 -28.967 30.558 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 5.067 -29.228 31.332 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 5.194 -29.440 29.804 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 8.318 -25.179 33.462 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 7.374 -25.230 33.750 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 8.634 -26.109 33.510 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.218 -15.894 32.680 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -8.739 -16.610 33.071 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -7.414 -15.850 33.235 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -2.372 -13.168 30.793 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -3.282 -12.936 31.025 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -2.280 -14.102 31.096 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -2.757 -11.873 33.718 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -2.080 -11.470 33.140 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -3.125 -11.131 34.203 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 1.286 -12.751 29.078 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 0.660 -12.230 28.531 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 1.387 -12.220 29.903 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 4.248 -25.047 31.623 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 3.941 -25.869 32.048 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 4.924 -25.351 30.973 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -8.424 -11.052 29.176 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -8.139 -10.282 29.682 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -9.061 -11.513 29.775 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.569 -8.218 27.030 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -7.442 -8.492 26.717 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.949 -8.721 26.471 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -1.069 -14.420 28.648 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -1.594 -13.969 29.339 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -0.179 -14.043 28.742 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 2.953 -14.858 29.898 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 2.483 -15.700 29.696 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 2.264 -14.172 29.799 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 3.276 -9.301 30.460 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 3.375 -8.414 30.816 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.113 -9.160 29.502 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -5.692 -11.905 26.124 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -6.120 -12.340 26.891 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -4.954 -12.515 25.885 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -3.576 -13.607 25.949 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -3.689 -14.146 26.759 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -2.639 -13.725 25.711 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 2.464 -14.672 26.257 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 3.014 -15.235 26.830 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 2.149 -15.280 25.561 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 3.349 -27.140 33.283 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.448 -27.465 33.495 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 3.860 -27.965 33.105 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 5.267 -14.669 33.940 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 5.245 -14.958 34.859 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 5.999 -15.178 33.549 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -10.612 -20.390 42.470 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -9.978 -19.864 42.966 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -11.462 -19.895 42.562 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -1.246 -21.274 40.644 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -1.613 -22.074 41.055 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -2.038 -20.811 40.282 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 3.782 -20.656 37.667 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 3.483 -19.768 37.920 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 4.488 -20.496 37.007 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.984 -21.841 37.784 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -7.406 -21.263 37.108 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -7.730 -22.281 38.223 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 5.693 -20.346 35.575 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 6.530 -20.813 35.365 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 5.235 -20.285 34.721 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -1.893 -25.427 35.099 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -2.841 -25.687 35.208 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -1.455 -25.812 35.865 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -8.152 -23.655 39.818 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -7.222 -23.357 39.854 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -8.181 -24.407 40.445 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 0.771 -23.687 36.053 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 1.423 -23.391 36.724 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -0.084 -23.569 36.490 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -10.883 -23.666 39.432 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -11.076 -23.473 40.373 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -9.901 -23.671 39.388 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -11.459 -22.922 41.995 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -11.128 -22.013 42.198 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -10.861 -23.514 42.509 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -4.495 -26.143 35.400 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -5.000 -25.307 35.371 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -5.168 -26.822 35.607 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -7.962 -25.787 41.579 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -8.163 -26.397 40.832 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -7.177 -26.197 42.012 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -3.896 -18.171 36.545 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -3.950 -19.091 36.861 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -4.689 -18.067 35.983 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -0.864 -24.195 32.954 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -1.224 -24.526 33.815 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 0.095 -24.100 33.122 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -0.342 -23.191 38.831 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 0.623 -23.171 38.673 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -0.519 -22.367 39.326 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -2.816 -15.669 36.434 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -2.673 -15.478 37.363 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -3.126 -16.605 36.427 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -8.600 -20.160 33.111 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -9.171 -19.365 32.981 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -9.170 -20.904 32.848 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 1.222 -20.052 40.654 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 1.560 -20.462 41.453 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 0.296 -20.374 40.593 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 2.536 -18.282 39.021 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 1.789 -17.675 38.981 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 2.218 -19.011 39.605 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -5.578 -15.637 33.541 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -4.729 -15.314 33.913 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -5.546 -15.349 32.605 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -6.009 -18.059 34.782 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -5.852 -18.641 34.008 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -5.873 -17.152 34.430 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -7.704 -20.115 35.734 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -7.101 -19.347 35.679 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -8.155 -20.123 34.868 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -2.703 -23.787 40.213 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -1.910 -23.805 39.639 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -3.013 -24.711 40.224 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -5.354 -23.042 39.893 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -4.374 -23.096 39.946 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -5.533 -22.850 38.955 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -5.689 -27.041 42.391 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -4.975 -27.396 42.923 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -5.236 -26.643 41.612 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -5.843 -19.725 32.635 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -5.510 -20.497 32.130 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.803 -19.901 32.733 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -0.912 -10.983 31.771 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 0.049 -11.182 31.808 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -1.304 -11.775 31.345 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 4.007 -12.928 32.217 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 4.857 -12.716 31.824 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 4.226 -13.571 32.927 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -4.525 -20.880 37.046 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.431 -21.172 37.297 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -4.315 -21.411 36.268 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -3.070 -14.613 33.937 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.866 -14.896 34.859 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -2.899 -13.644 33.939 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -3.698 -20.607 39.675 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -3.895 -20.554 38.718 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -4.486 -21.018 40.056 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 6.016 -17.614 35.412 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 5.570 -17.274 36.219 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 6.083 -18.578 35.572 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -14.125 -16.953 37.066 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -14.047 -17.882 37.380 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -13.195 -16.629 37.053 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 2.362 -22.924 38.167 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 2.781 -22.051 37.960 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 3.068 -23.427 38.586 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 5.653 -25.387 33.960 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 5.263 -24.941 33.183 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 5.025 -26.094 34.164 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -9.029 -28.534 36.756 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -9.684 -28.012 37.267 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -9.368 -29.451 36.806 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -4.693 -25.735 40.252 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -5.151 -25.984 39.418 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -4.988 -24.818 40.415 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -1.987 -2.348 -9.711 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.095 -2.452 -9.363 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.850 -2.189 -10.675 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -12.736 -5.052 -11.867 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -11.899 -4.598 -12.101 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -12.507 -5.595 -11.093 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -3.677 -0.607 -8.377 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -3.133 0.196 -8.242 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -3.141 -1.161 -8.984 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -8.619 -7.078 -7.467 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -8.632 -7.431 -6.552 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -7.660 -7.002 -7.679 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -5.996 -4.525 -9.368 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -6.214 -5.406 -9.005 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -6.807 -3.994 -9.220 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -6.935 -6.133 -4.782 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -6.045 -5.878 -4.441 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -7.400 -5.276 -4.893 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -12.134 9.138 -12.980 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -12.131 8.782 -13.889 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -12.622 9.957 -13.049 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.121 -3.867 -12.181 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -5.745 -4.487 -12.846 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -5.819 -4.221 -11.326 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 2.718 0.686 -5.931 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 3.113 1.338 -6.521 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 3.469 0.282 -5.484 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -5.514 0.691 -3.426 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -5.143 -0.125 -3.017 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -4.790 1.017 -4.004 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -6.846 5.319 -5.027 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.993 5.965 -4.310 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -7.686 5.309 -5.506 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -5.278 -5.666 -14.075 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -4.951 -5.720 -14.977 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -5.631 -6.564 -13.892 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -9.519 3.052 -9.707 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -8.731 3.235 -10.261 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -10.068 2.466 -10.258 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -5.972 -7.139 -8.132 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -5.159 -6.892 -7.639 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -5.827 -8.063 -8.369 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -1.248 -10.524 -7.800 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -0.907 -10.956 -6.987 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -0.579 -10.712 -8.464 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -6.305 -8.116 -13.411 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -6.926 -7.980 -12.687 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -6.104 -9.056 -13.380 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -2.830 -3.710 -2.635 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -2.187 -3.434 -3.304 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -2.349 -3.598 -1.779 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -12.424 -12.626 -12.392 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -11.911 -11.848 -12.632 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -13.304 -12.267 -12.155 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -12.322 -6.501 -9.206 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -11.775 -7.315 -9.113 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -13.151 -6.718 -8.732 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -1.272 -1.917 -12.314 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -1.829 -2.326 -12.988 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -0.598 -1.447 -12.815 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -3.491 -4.268 -8.290 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -4.372 -4.332 -8.728 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -2.970 -3.692 -8.888 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -0.591 -0.737 -1.983 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -0.963 -0.837 -2.889 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 0.188 -0.173 -2.105 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -2.196 -1.136 -4.202 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -2.965 -1.213 -3.602 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -2.501 -1.573 -5.034 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -8.348 -2.973 -9.310 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -9.059 -3.642 -9.191 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -8.407 -2.725 -10.256 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -8.204 -2.185 -11.999 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -7.473 -2.844 -12.122 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -7.846 -1.370 -12.367 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 0.091 0.157 -6.565 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 1.016 0.398 -6.339 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -0.009 -0.737 -6.226 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -9.057 4.583 -7.379 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -9.346 4.174 -8.225 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -9.379 3.956 -6.689 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -6.207 -8.070 -2.148 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -6.943 -8.627 -1.832 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -6.021 -8.409 -3.044 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -4.509 -5.503 -3.829 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -3.990 -4.748 -3.481 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -3.859 -6.246 -3.859 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -6.022 -8.686 -4.841 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -6.216 -7.732 -4.974 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -6.816 -9.133 -5.167 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -12.237 8.414 -15.640 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -12.843 7.847 -16.125 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -11.568 8.657 -16.285 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -8.156 7.128 -3.334 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -8.703 7.082 -4.148 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -8.473 7.935 -2.877 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -7.470 5.858 -0.906 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -7.528 6.135 -1.842 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.184 6.364 -0.465 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -4.513 0.243 1.453 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -4.110 0.906 2.056 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -3.847 0.135 0.737 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -3.378 1.276 -5.075 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -2.790 0.571 -4.746 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -3.064 1.440 -5.988 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -3.503 -6.774 -7.037 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -3.348 -5.900 -7.461 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -3.127 -6.678 -6.150 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -3.392 -2.323 -6.299 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -3.433 -3.186 -6.758 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -3.610 -1.672 -7.001 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -1.632 -2.885 -0.380 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -1.348 -2.962 0.551 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.157 -2.101 -0.714 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -3.816 -9.610 -7.585 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -3.667 -8.646 -7.504 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -2.920 -9.975 -7.786 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.697 -7.457 -3.710 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -1.967 -7.565 -3.057 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -2.862 -8.367 -4.036 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -0.751 -7.772 -1.839 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 0.116 -7.941 -2.251 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -0.749 -8.334 -1.030 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -3.586 -9.837 -4.812 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -4.495 -9.480 -4.694 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -3.492 -9.917 -5.778 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -8.842 -8.131 -4.897 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.744 -7.947 -4.563 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -8.292 -7.413 -4.514 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -6.458 4.430 -8.411 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -7.302 4.717 -8.005 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -5.806 4.510 -7.689 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -7.125 3.608 -10.911 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -6.792 4.203 -11.589 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -6.759 3.969 -10.071 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -5.063 3.585 -6.148 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -4.477 3.156 -5.505 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -5.597 4.215 -5.607 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -2.073 1.457 -7.516 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -1.259 0.996 -7.196 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -1.745 2.282 -7.890 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 1.023 -10.907 -3.501 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 0.490 -11.077 -2.713 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 1.308 -9.973 -3.401 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -7.543 -3.814 6.438 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -7.194 -4.402 7.142 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -7.848 -3.021 6.921 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -7.293 1.791 8.319 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -7.646 1.890 9.234 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -6.480 1.244 8.437 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 7.490 -8.612 7.473 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 8.135 -9.237 7.825 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 7.471 -7.889 8.138 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -5.498 -9.332 4.517 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -4.817 -8.709 4.821 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -6.135 -8.764 4.019 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 2.197 -3.700 5.030 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 2.510 -4.629 5.147 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 2.701 -3.199 5.681 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -8.697 -6.008 4.941 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -8.567 -6.612 5.705 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -8.327 -5.155 5.248 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.104 -2.033 6.627 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.816 -2.609 6.299 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.305 -2.602 6.601 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 7.767 -6.920 9.682 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 7.729 -7.381 10.549 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 8.454 -6.254 9.800 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -6.901 -9.402 8.601 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -7.133 -9.180 9.521 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -6.027 -9.800 8.668 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -9.625 -0.726 10.512 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -9.766 -0.603 11.482 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -9.566 -1.694 10.403 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 2.571 -8.934 5.936 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 2.855 -9.018 6.872 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 3.257 -9.422 5.432 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -8.263 -7.239 7.378 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -7.589 -6.625 7.746 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -7.929 -8.129 7.620 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -8.474 1.900 10.752 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -8.931 2.249 11.539 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -8.806 0.987 10.671 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 1.122 -9.105 9.583 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.905 -8.779 9.097 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 1.337 -10.037 9.775 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.311 -9.482 7.475 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.550 -9.540 8.416 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -3.700 -8.645 7.183 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -3.037 2.749 -0.214 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -3.193 3.413 0.470 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -2.112 2.919 -0.509 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -3.478 -2.430 3.331 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -2.757 -2.769 2.770 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -4.271 -2.486 2.766 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -7.729 0.136 6.146 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -7.544 0.877 6.761 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -7.989 -0.598 6.734 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -5.328 -0.071 8.596 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -5.289 -0.749 7.890 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.893 -0.483 9.346 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -8.516 -1.763 8.082 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -8.714 -0.977 8.622 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -8.675 -2.514 8.694 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 3.438 -6.405 2.055 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 3.421 -7.220 1.513 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 4.140 -6.577 2.714 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 3.167 -7.076 -1.286 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 3.197 -6.248 -0.797 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 3.403 -7.756 -0.620 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -10.016 -0.136 13.118 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -10.073 0.844 13.147 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -10.350 -0.416 13.975 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -12.520 2.588 8.020 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -13.442 2.781 7.754 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -12.045 3.428 7.860 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -8.924 5.633 2.217 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -9.641 5.745 2.886 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.118 6.321 1.543 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 5.415 -4.240 12.329 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 4.834 -3.489 12.194 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 5.308 -4.779 11.511 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -10.369 2.552 12.739 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -10.903 2.304 11.945 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -10.732 3.399 13.012 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -5.508 -12.077 5.406 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -5.592 -12.236 4.438 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -5.659 -11.115 5.497 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -3.111 -10.909 12.305 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -3.755 -10.472 11.715 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -2.360 -11.138 11.708 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 1.350 -6.908 13.405 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 0.817 -7.574 12.921 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 0.871 -6.084 13.278 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -4.043 -5.612 7.266 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -3.905 -6.168 6.474 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -3.509 -4.809 7.092 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -7.038 -7.483 3.241 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -7.627 -6.958 3.819 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -7.131 -7.065 2.363 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -1.063 -3.448 2.328 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -1.073 -3.436 3.307 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -0.166 -3.781 2.106 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -0.585 -3.953 5.043 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -0.467 -4.905 4.868 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 0.331 -3.611 5.113 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -6.492 -5.472 8.411 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -5.576 -5.545 8.044 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.360 -5.377 9.362 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -3.437 -7.558 5.285 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -2.790 -8.253 5.484 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -3.145 -7.203 4.419 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 1.067 -13.476 6.584 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 1.837 -12.923 6.838 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 1.133 -14.254 7.167 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -2.628 -3.269 6.738 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -2.001 -3.571 6.041 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -2.226 -2.462 7.079 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -3.997 -0.209 4.792 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -4.377 -0.626 5.591 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -3.648 -0.971 4.271 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 0.428 -6.368 4.042 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 0.719 -5.784 3.304 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 1.226 -6.438 4.612 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 1.522 -4.502 2.420 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 1.924 -4.003 3.159 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 2.248 -5.097 2.109 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -0.450 2.935 -1.042 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 0.230 2.230 -1.064 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -0.115 3.605 -1.644 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -6.282 2.892 2.990 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -6.374 3.841 3.219 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -5.336 2.700 3.146 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -6.561 -0.173 3.729 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -5.635 -0.019 4.001 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -7.073 -0.080 4.569 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -6.483 5.567 3.442 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -7.388 5.678 3.081 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -5.896 5.851 2.704 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -9.776 -9.291 11.975 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -10.122 -8.378 11.878 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -10.570 -9.858 11.886 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -8.760 4.155 7.968 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -8.710 4.357 8.911 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -8.261 3.314 7.881 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -4.257 -1.415 -2.339 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -3.826 -0.983 -1.566 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -3.942 -2.341 -2.302 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -1.005 -11.073 10.582 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -0.156 -11.549 10.431 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -1.153 -10.594 9.753 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 0.753 -9.132 3.881 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 0.627 -8.166 3.842 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 1.275 -9.270 4.702 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -5.612 1.996 -0.859 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -4.723 2.370 -0.689 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -5.577 1.711 -1.792 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -1.792 -9.739 3.036 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -2.241 -10.370 3.635 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -0.857 -9.748 3.341 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -8.467 3.618 0.415 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -7.920 4.157 -0.198 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -8.593 4.206 1.196 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 5.179 -5.923 10.219 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 6.012 -6.145 9.771 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 4.806 -6.793 10.469 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -2.790 0.064 -0.608 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -1.930 -0.130 -1.039 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -2.814 1.046 -0.554 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 1.577 1.079 -1.125 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 1.674 0.435 -0.410 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 2.451 1.480 -1.205 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -5.813 -2.069 1.849 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -6.281 -1.729 2.635 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -5.303 -1.294 1.525 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -6.641 -7.514 13.737 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -5.915 -7.999 14.193 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -7.271 -7.316 14.452 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -6.912 -8.942 11.412 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.724 -8.416 12.223 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -7.841 -9.228 11.528 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -2.593 -8.786 16.613 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.093 -7.991 16.820 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -2.237 -9.074 15.737 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -10.198 -5.753 16.079 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -10.127 -5.346 15.210 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -9.332 -6.198 16.207 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -1.651 -9.508 14.191 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -0.932 -9.128 13.649 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -2.263 -9.895 13.536 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -0.080 -8.811 11.983 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 0.422 -8.564 11.173 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -0.454 -9.683 11.764 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -5.082 -8.897 15.479 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -5.649 -9.279 16.183 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -4.212 -8.784 15.912 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -3.780 8.072 -0.166 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -3.107 8.673 0.168 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -3.703 8.137 -1.123 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -12.163 10.855 1.529 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -11.922 10.195 2.218 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -12.343 11.658 2.024 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -13.483 6.452 5.209 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -12.783 7.080 5.502 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -13.975 6.249 6.036 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -9.228 -3.620 9.970 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -8.874 -4.184 10.696 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -9.700 -4.249 9.391 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 2.953 -6.311 5.272 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 3.814 -6.487 4.837 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 2.765 -7.140 5.764 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -10.319 -9.185 14.744 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -10.012 -9.212 13.818 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -11.258 -9.457 14.696 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 3.762 -8.810 0.779 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 4.633 -9.206 0.916 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 3.135 -9.476 1.148 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -10.623 -3.711 5.717 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -11.440 -3.163 5.626 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -9.909 -3.063 5.780 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 6.521 -10.205 14.081 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 6.072 -10.500 13.258 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 7.140 -9.523 13.780 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -12.358 -10.680 12.119 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -12.777 -11.404 11.610 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -13.105 -10.104 12.372 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -11.392 5.202 7.538 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -10.475 4.855 7.573 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -11.293 6.100 7.162 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -8.156 5.864 5.732 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -8.169 5.215 6.461 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -7.386 5.604 5.190 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -3.634 2.065 3.327 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -2.980 2.658 3.713 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -3.700 1.325 3.975 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -4.394 -9.289 10.292 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -4.011 -8.432 10.518 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -5.293 -9.262 10.693 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 5.178 -7.441 3.949 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 6.133 -7.588 3.971 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 4.796 -8.351 3.970 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -2.101 -7.010 2.925 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -1.215 -6.765 3.259 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -2.050 -7.986 2.802 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -2.792 -11.193 5.296 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -3.616 -11.718 5.271 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -2.872 -10.665 6.117 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 2.249 -10.636 2.132 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 1.627 -10.120 2.691 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 1.787 -11.491 1.991 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -11.184 5.720 3.692 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -11.594 4.999 3.175 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -11.783 5.843 4.442 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -9.605 7.226 0.105 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -10.581 7.281 0.163 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -9.362 7.971 -0.486 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 0.697 -4.245 24.808 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 0.183 -3.623 24.242 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 0.014 -4.838 25.194 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -2.116 -5.194 29.794 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -1.644 -6.011 29.556 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -1.889 -5.055 30.739 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 5.069 -7.226 27.295 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 4.529 -7.914 27.731 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 5.929 -7.288 27.725 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -1.197 -5.529 32.373 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -1.210 -6.490 32.169 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -1.026 -5.490 33.317 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -3.284 -7.330 25.223 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -3.783 -6.936 25.970 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -3.720 -8.204 25.085 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -2.704 -2.422 25.402 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -2.709 -3.046 26.164 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -3.518 -1.922 25.504 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 2.788 -8.742 27.825 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 2.477 -9.353 27.131 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 2.195 -7.964 27.735 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 1.371 -10.081 25.727 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 2.015 -10.766 25.489 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 0.679 -10.568 26.223 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -0.783 -2.423 23.469 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -0.511 -1.498 23.484 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -1.560 -2.455 24.077 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 2.077 -5.650 19.880 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 1.884 -5.291 20.772 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 2.616 -4.959 19.461 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 2.585 -1.487 23.446 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 2.373 -1.505 24.403 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 3.562 -1.519 23.418 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 1.346 -2.591 21.296 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.422 -2.654 21.574 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.793 -2.150 22.055 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -0.960 -7.592 28.831 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -0.106 -7.297 28.453 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -1.502 -7.792 28.059 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -4.746 -10.300 19.822 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -5.434 -10.337 20.521 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -4.190 -9.523 20.071 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -4.551 -6.467 27.595 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -5.379 -6.977 27.433 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -4.457 -6.469 28.558 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -2.550 -11.029 18.217 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -3.177 -10.833 18.933 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -2.551 -10.219 17.670 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -12.859 -5.513 17.252 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -13.405 -5.158 16.516 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -11.947 -5.298 16.996 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -1.194 -5.782 26.003 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -1.820 -6.426 25.604 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -1.772 -5.173 26.515 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -7.812 -7.237 16.331 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -7.008 -6.951 16.782 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -7.911 -8.168 16.592 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 1.105 -6.707 27.151 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 0.312 -6.346 26.696 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 1.848 -6.455 26.566 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -2.947 -4.242 27.411 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -2.596 -4.307 28.332 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -3.675 -4.898 27.391 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -4.896 -9.482 25.119 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -5.656 -9.450 24.514 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -4.933 -10.386 25.498 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 5.998 -4.453 19.286 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 6.112 -4.545 18.311 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 5.064 -4.172 19.392 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -1.229 -8.148 31.575 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -1.145 -9.107 31.738 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -1.140 -8.062 30.606 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 1.932 -5.396 22.596 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 2.806 -5.024 22.818 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 1.361 -5.110 23.336 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -7.063 -10.999 21.139 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -7.549 -10.969 20.288 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -7.127 -11.934 21.414 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 3.853 -4.151 24.251 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 3.130 -3.609 24.607 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 4.532 -3.497 23.988 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -10.751 -8.194 17.236 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -10.747 -7.242 17.017 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -10.537 -8.634 16.385 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -0.411 -11.713 27.155 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -1.291 -11.523 27.506 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -0.556 -12.468 26.541 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 3.571 -3.186 19.868 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 2.726 -3.016 20.352 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 3.984 -2.317 19.811 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 6.498 -4.679 16.526 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.514 -5.362 15.832 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 6.534 -3.850 16.040 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 5.328 -1.918 23.483 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 5.785 -2.193 22.650 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 5.931 -1.285 23.883 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 3.936 -7.705 13.574 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 3.040 -7.290 13.527 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 3.829 -8.426 14.204 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 2.014 -2.139 26.026 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 1.445 -2.905 25.808 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 1.885 -2.008 26.970 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 4.057 -9.420 20.895 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 4.337 -9.021 21.743 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 4.810 -9.243 20.282 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -10.383 -9.389 19.617 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -10.226 -8.641 20.209 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -10.634 -8.966 18.756 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 1.035 -7.731 24.246 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 1.048 -8.554 24.777 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 1.790 -7.215 24.589 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 3.109 -12.177 26.999 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 2.542 -12.185 27.794 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 2.891 -13.029 26.547 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 3.865 -8.478 23.414 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 4.027 -9.292 23.937 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 3.798 -7.773 24.087 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -5.640 -12.918 19.005 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -5.276 -12.090 19.376 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -6.225 -13.259 19.712 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -2.585 -6.760 22.525 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -2.378 -5.824 22.619 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -2.787 -7.052 23.436 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -6.443 -9.796 17.644 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -7.195 -10.352 17.935 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -5.776 -9.911 18.351 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -3.046 -8.213 20.251 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -2.926 -7.781 21.128 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -2.758 -7.549 19.621 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -5.373 6.131 1.000 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -6.019 5.995 0.281 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -4.777 6.831 0.657 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -9.263 8.092 4.707 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -8.875 7.251 5.059 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -8.512 8.550 4.312 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -11.543 8.885 3.300 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -10.722 8.545 3.708 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -12.016 8.087 3.015 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -9.123 9.244 -1.760 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -8.691 10.091 -1.611 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -10.083 9.431 -1.599 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 14.777 -33.496 15.402 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 14.798 -33.707 16.364 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 15.384 -34.126 15.010 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 4.244 -32.344 6.120 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 3.886 -31.430 6.076 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 4.523 -32.446 7.051 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 7.732 -30.461 3.237 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 7.312 -30.100 2.421 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 7.158 -31.214 3.482 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 5.483 -31.905 8.588 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 6.397 -32.219 8.739 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 5.599 -31.012 8.206 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 12.754 -31.717 15.721 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 12.620 -32.002 16.645 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 13.480 -32.297 15.397 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 5.468 -28.508 4.692 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 5.109 -27.599 4.861 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 5.859 -28.443 3.804 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 6.024 -32.485 4.072 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 5.430 -32.520 4.856 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 5.440 -32.699 3.329 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 14.614 -33.941 18.080 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 13.833 -33.370 18.256 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 14.861 -34.276 18.945 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.275 -29.879 11.167 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 10.923 -29.257 10.778 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 9.474 -29.745 10.635 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.780 -27.945 9.846 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 12.735 -27.931 9.747 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 11.485 -27.089 9.461 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 8.234 -32.269 8.505 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 8.313 -32.169 7.530 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.949 -32.871 8.742 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 8.045 -31.738 5.781 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.466 -31.203 5.085 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 7.394 -32.286 5.294 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 6.153 -29.654 1.192 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 6.052 -29.229 0.335 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 5.233 -29.779 1.509 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 6.839 -34.483 25.638 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 6.961 -34.870 24.765 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 6.138 -33.814 25.506 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 11.549 -27.450 20.615 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 11.681 -28.309 20.156 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 12.092 -27.532 21.436 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 12.921 -27.722 22.934 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 13.521 -27.108 23.407 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 12.807 -28.454 23.546 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 4.893 -32.733 24.938 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 5.152 -32.494 24.038 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 4.005 -33.168 24.823 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 11.505 -29.757 19.053 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 11.614 -29.418 18.140 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 10.731 -30.352 18.995 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 7.500 -33.897 28.205 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 7.750 -34.748 28.584 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 7.450 -34.071 27.238 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 7.056 -33.290 18.672 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 6.594 -32.428 18.635 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 6.406 -33.888 19.100 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 6.143 -26.267 30.138 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 6.043 -27.239 30.224 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 7.094 -26.107 30.304 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 13.684 -27.356 31.004 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.079 -28.045 31.549 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 13.916 -26.520 31.471 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 5.758 -30.368 26.093 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 6.057 -29.791 25.362 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 5.537 -31.210 25.657 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.725 -31.970 18.452 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 8.970 -32.447 18.839 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 9.567 -32.027 17.483 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 12.473 -32.292 18.464 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.504 -32.454 18.476 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 12.566 -31.406 18.860 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.402 -30.225 16.337 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.000 -29.451 16.258 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.974 -30.990 16.112 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.438 -31.490 13.619 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.402 -30.968 12.789 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.371 -31.467 13.876 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 7.945 -19.699 -4.177 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.465 -20.235 -4.790 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.190 -20.043 -3.283 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 8.229 -20.538 -1.574 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.900 -20.348 -0.880 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.399 -20.655 -1.074 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 9.656 -20.298 0.709 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 9.128 -19.908 1.443 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 10.156 -21.014 1.135 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 5.507 -21.009 -3.751 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 6.309 -20.570 -4.091 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 5.127 -21.455 -4.533 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 9.172 -24.439 -3.618 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 8.773 -24.148 -2.771 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 9.935 -24.960 -3.353 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.160 -23.523 -1.225 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.466 -22.601 -1.200 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 7.202 -23.450 -1.444 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 5.690 -14.055 -0.176 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 6.246 -14.794 0.164 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 5.320 -14.397 -1.003 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.260 -20.281 9.526 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 7.559 -19.650 9.228 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.373 -20.890 8.765 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.539 -24.980 6.019 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.652 -24.563 5.954 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.140 -24.334 5.581 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 10.897 -21.408 6.172 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.481 -22.027 5.683 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.317 -21.017 5.468 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 5.928 -25.547 14.277 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 5.928 -26.461 13.965 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 6.714 -25.497 14.873 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 11.629 -19.087 7.347 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 11.429 -19.971 6.972 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 11.541 -18.485 6.580 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.953 -23.453 9.873 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 10.052 -22.770 10.555 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.463 -23.004 9.151 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.396 -17.808 9.634 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 12.977 -17.064 9.373 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 12.228 -18.285 8.792 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 10.984 -18.251 4.765 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 10.434 -19.052 4.593 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 11.005 -17.793 3.909 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 8.093 -11.694 6.288 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 8.858 -12.243 6.002 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 7.999 -11.897 7.247 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 6.515 -18.367 8.850 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 5.761 -18.031 8.328 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 6.771 -17.608 9.418 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.466 -15.232 11.654 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 13.108 -14.496 11.119 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.767 -15.876 10.991 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 11.026 -25.651 8.639 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 10.688 -24.873 9.137 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 10.993 -25.368 7.703 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.803 -22.236 7.695 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 9.592 -21.862 7.245 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 8.355 -22.756 6.993 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.134 -23.719 5.505 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.419 -23.314 4.665 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.264 -24.110 5.291 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.877 -21.523 11.823 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.376 -22.343 11.872 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 8.645 -21.148 10.940 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.138 -23.574 2.706 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.190 -24.204 1.956 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.241 -23.730 3.084 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 14.216 -24.135 2.809 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 15.098 -23.918 2.489 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.623 -23.923 2.048 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 12.278 -23.672 0.968 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 11.643 -23.057 1.378 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 11.749 -24.469 0.776 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 9.860 -16.186 12.900 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 9.840 -15.925 13.851 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.760 -15.979 12.617 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.123 -26.416 3.703 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 10.471 -27.154 3.725 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.019 -25.979 4.569 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.980 -15.688 8.913 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.654 -15.541 8.241 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.600 -14.799 9.073 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 9.866 -15.669 4.688 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.709 -16.028 3.790 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.145 -16.444 5.203 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 8.011 -25.931 15.991 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.503 -25.465 16.684 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 8.431 -26.817 15.956 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 7.369 -16.331 10.476 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 8.306 -16.338 10.213 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 7.097 -15.389 10.389 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 6.352 -12.824 2.239 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 6.120 -13.103 1.331 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 6.732 -11.926 2.125 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.408 -26.762 2.167 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 12.701 -26.812 2.836 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 13.924 -25.983 2.426 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 6.847 -16.138 1.097 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 6.669 -17.096 1.041 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.365 -16.039 1.905 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 10.484 -22.252 2.584 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 10.222 -21.476 3.140 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 9.663 -22.799 2.543 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 6.437 -29.834 6.992 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 6.109 -29.275 6.257 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 6.989 -30.510 6.550 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 10.253 -13.187 5.569 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 10.904 -12.888 4.926 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 10.026 -14.107 5.272 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 9.723 -11.166 16.223 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.356 -10.425 16.348 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 9.769 -11.361 15.269 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 10.315 -18.648 14.833 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 10.679 -19.561 14.804 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 11.101 -18.082 15.009 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 9.752 -17.135 2.402 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.169 -17.920 2.562 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 9.906 -17.147 1.450 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 14.386 -15.780 14.127 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 14.020 -15.601 13.226 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 15.295 -16.052 13.962 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 11.386 -19.765 12.086 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 11.923 -18.990 11.872 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 11.340 -20.265 11.237 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 12.121 -23.281 4.542 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.654 -22.962 3.741 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 12.969 -23.635 4.196 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 11.428 -20.850 9.604 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 11.573 -20.205 8.887 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 11.679 -21.696 9.216 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 8.132 -29.591 9.217 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 8.272 -30.558 9.213 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.502 -29.442 8.487 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 11.092 -21.248 14.522 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.626 -22.050 14.521 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.146 -20.923 13.596 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.347 -28.323 16.298 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.241 -28.688 16.128 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.385 -28.029 17.239 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 6.248 -18.869 1.027 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 6.151 -19.769 0.632 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 6.981 -18.981 1.692 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 5.791 -12.041 4.775 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 6.650 -12.138 5.232 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 5.931 -12.487 3.906 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 1.533 -11.876 9.897 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 2.311 -12.228 10.373 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 1.799 -11.912 8.956 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 9.704 -17.880 10.044 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.474 -18.696 9.564 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.665 -17.765 9.878 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 5.788 -13.755 12.986 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 4.863 -14.029 13.086 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 5.900 -13.651 12.011 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 12.817 -13.298 9.791 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.960 -12.345 9.789 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.958 -13.414 9.304 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 8.454 -10.552 11.136 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 9.062 -10.867 11.836 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 8.249 -9.633 11.398 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.578 -13.342 8.326 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 9.691 -13.054 8.625 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 10.498 -13.386 7.352 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.017 -28.097 3.757 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 8.273 -27.627 3.312 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 8.810 -29.048 3.620 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.222 -25.470 0.720 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 9.141 -25.809 0.652 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.136 -24.859 -0.045 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 8.084 -12.270 8.987 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.359 -12.850 9.327 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 8.240 -11.633 9.716 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 10.924 -26.076 0.975 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.850 -26.118 1.951 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.781 -26.501 0.787 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 11.960 -29.213 16.348 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 12.655 -28.683 15.945 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 12.145 -30.131 16.033 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.444 -19.342 26.506 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.891 -19.626 25.746 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.259 -18.379 26.584 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 6.880 -23.597 19.067 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 6.796 -22.764 18.572 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 6.171 -24.168 18.702 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 5.220 -16.485 22.695 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 4.264 -16.681 22.581 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 5.644 -17.370 22.748 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.138 -25.287 25.752 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 12.971 -25.658 25.398 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 11.658 -24.976 24.957 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 11.952 -24.583 28.379 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 12.065 -24.787 27.419 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 12.861 -24.372 28.690 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 10.906 -18.841 27.664 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 10.839 -19.217 28.566 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.063 -19.090 27.237 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 11.114 -15.428 29.123 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.717 -15.642 29.842 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 11.523 -15.846 28.334 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 7.193 -16.128 17.803 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 6.466 -16.488 18.353 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 7.572 -16.915 17.363 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 9.295 -16.950 23.131 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 10.117 -17.063 22.637 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 9.565 -16.439 23.931 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.017 -18.573 22.758 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.846 -18.127 23.033 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 6.888 -19.278 23.433 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 7.955 -16.667 26.517 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 7.214 -16.250 26.027 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.760 -16.261 26.122 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 10.127 -15.538 25.321 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 10.959 -15.641 25.825 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 9.971 -14.562 25.305 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.423 -11.545 21.036 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.470 -11.609 22.005 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 9.199 -10.609 20.874 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 7.671 -17.068 29.194 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 7.504 -16.170 29.549 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.912 -16.911 28.251 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 11.160 -26.553 30.074 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 11.971 -26.855 30.525 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 11.464 -25.813 29.501 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 10.875 -24.211 23.532 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 11.113 -23.284 23.432 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.752 -24.528 22.612 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 15.270 -28.119 26.502 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 14.541 -28.044 27.163 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 15.826 -28.823 26.844 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.690 -24.507 21.615 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.317 -24.081 20.814 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 8.628 -24.676 21.380 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 7.478 -23.092 24.327 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 6.672 -23.659 24.348 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 7.901 -23.323 23.481 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 9.844 -22.376 16.921 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 9.135 -21.772 17.227 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.233 -21.919 16.156 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 7.272 -19.648 30.096 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.315 -19.552 29.950 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.638 -18.768 29.862 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 13.292 -27.942 28.340 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 13.548 -27.767 29.270 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 12.353 -27.720 28.311 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 10.293 -25.024 20.944 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 10.819 -25.855 20.888 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 10.167 -24.759 20.010 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 16.537 -23.185 31.039 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 17.469 -23.134 31.260 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 16.077 -22.967 31.875 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 6.675 -20.424 24.782 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 6.005 -20.358 25.502 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 6.784 -21.387 24.639 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.597 -19.474 32.651 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 11.035 -18.736 32.929 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 11.467 -19.519 31.689 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 7.696 -18.767 20.073 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 6.885 -18.349 19.724 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 7.526 -18.847 21.034 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.706 -17.038 19.116 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.201 -16.208 19.171 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 9.129 -17.698 19.557 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 13.584 -13.342 15.104 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.969 -14.199 14.826 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 13.241 -13.514 15.989 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 12.265 -16.877 15.481 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 13.106 -16.592 15.062 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 12.360 -16.602 16.424 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 8.577 -18.257 16.848 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 9.141 -18.331 16.046 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 9.185 -17.914 17.536 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 14.099 -23.897 29.978 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 13.979 -24.399 30.808 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 15.031 -23.594 30.020 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 11.948 -15.779 17.941 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 11.538 -14.892 17.958 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 11.353 -16.325 18.491 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 9.308 -24.624 18.347 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.421 -24.295 18.620 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 9.677 -23.887 17.800 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 9.959 -15.382 15.497 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 10.753 -15.952 15.546 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 10.134 -14.674 16.156 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 7.885 -20.684 17.884 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 7.869 -20.367 18.803 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 7.951 -19.862 17.354 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.947 -13.933 19.765 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.442 -14.430 20.447 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 9.144 -13.068 20.198 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 7.050 -16.097 32.229 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 6.173 -16.484 32.018 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 7.146 -15.364 31.582 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.917 -11.425 13.354 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 10.860 -11.643 13.144 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.443 -12.284 13.246 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.619 -21.270 31.884 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.016 -20.653 31.412 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.351 -21.192 32.826 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.481 -20.005 30.142 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.861 -20.282 30.844 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 11.019 -20.817 29.970 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 11.603 -25.597 33.616 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 11.150 -24.733 33.506 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.961 -26.250 33.264 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 11.673 -22.406 30.008 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.595 -22.592 30.262 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 11.457 -23.120 29.377 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 12.222 -16.642 26.916 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 11.733 -17.482 27.113 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 13.133 -16.925 26.783 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.169 -23.215 33.339 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.442 -23.859 33.512 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 9.785 -22.594 32.695 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 14.037 -25.089 32.454 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 14.525 -24.371 32.908 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 13.221 -25.203 32.990 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 9.582 -27.544 33.066 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.160 -28.165 32.431 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.893 -28.128 33.797 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 10.355 -13.566 17.463 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 10.142 -12.666 17.136 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 9.859 -13.637 18.312 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 6.225 -10.522 22.669 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 5.652 -10.672 21.906 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 5.644 -10.688 23.441 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 7.569 -15.374 21.605 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 8.190 -15.891 22.155 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 6.689 -15.654 21.915 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.748 -25.502 30.739 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.578 -26.026 30.622 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.670 -25.391 31.708 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.214 -12.940 25.278 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.261 -12.149 24.695 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 8.368 -12.831 25.757 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 14.505 -26.280 24.682 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 14.802 -26.986 25.308 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 15.249 -25.668 24.650 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 9.519 -27.307 18.771 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 10.189 -27.409 19.477 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 9.450 -26.339 18.646 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 8.164 -29.469 31.612 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 8.276 -30.365 31.271 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 7.295 -29.189 31.261 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 12.347 -27.112 35.779 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 12.573 -26.505 36.487 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 12.205 -26.531 35.000 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 15.192 -22.731 33.419 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 14.262 -22.394 33.351 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 15.557 -22.260 34.175 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 12.632 -21.883 33.416 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 11.787 -22.374 33.435 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 12.366 -20.957 33.214 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 8.453 -18.458 34.300 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 8.831 -18.015 33.515 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 7.735 -17.862 34.588 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 8.196 -21.110 34.595 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 8.394 -20.140 34.597 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 8.986 -21.515 34.976 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 9.435 -17.489 31.912 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 8.640 -16.918 31.994 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 9.580 -17.556 30.959 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 10.583 -29.062 35.115 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 10.657 -29.768 35.761 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 11.271 -28.414 35.386 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 7.613 -9.386 4.860 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 7.514 -8.796 5.632 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 7.890 -10.242 5.253 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 4.635 -8.480 11.033 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 5.048 -9.357 11.195 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 4.340 -8.189 11.922 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 3.641 -8.906 8.508 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 4.323 -9.488 8.106 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 3.997 -8.701 9.399 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 6.284 -6.279 13.873 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 5.445 -6.784 13.837 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 6.083 -5.450 13.380 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 12.471 -12.163 12.931 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 12.978 -12.637 12.267 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 12.858 -12.462 13.787 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 13.961 -8.518 16.087 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 14.473 -9.207 15.646 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 14.610 -7.838 16.298 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 7.882 -7.964 12.275 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.620 -8.117 12.914 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 7.288 -7.340 12.749 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 5.278 -10.391 6.951 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 6.064 -9.816 7.033 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 5.468 -10.947 6.166 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 5.702 -10.930 11.524 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 5.179 -11.618 11.038 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 6.621 -11.084 11.236 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 8.488 -13.751 13.136 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 8.828 -14.624 12.851 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 7.533 -13.779 12.906 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 9.551 -8.848 14.173 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 9.768 -9.764 13.903 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 10.122 -8.687 14.952 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 6.689 -2.614 21.257 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 7.627 -2.526 21.073 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 6.385 -3.304 20.630 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 3.273 -6.533 25.382 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 3.559 -5.670 24.995 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 3.973 -6.741 26.048 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 7.591 -6.671 19.816 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 8.137 -6.481 19.044 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 6.974 -5.908 19.866 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.267 -8.902 16.389 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 12.230 -8.785 16.201 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 11.136 -8.447 17.228 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 8.434 -8.942 21.458 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 7.531 -9.252 21.641 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 8.306 -8.085 21.012 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 8.829 -10.779 23.653 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 7.895 -10.769 23.353 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 9.177 -9.923 23.361 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 6.246 -9.023 19.362 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 6.688 -8.170 19.550 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 6.639 -9.310 18.508 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 7.422 -9.676 16.972 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 8.193 -10.276 16.914 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 7.147 -9.558 16.049 1.00 0.00 WAT1 END