REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1412.23, 66.9281, 81.1292, 39.9365, 407.084, -352.559, -1657.82, 2.70585, 0.369187 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.951516E-03,0.461405,1.22129,42.6649,4.720124E-03,0.249945 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 27, 9 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:05 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -8.004 -10.905 -16.396 1.00 12.31 ATOM 2 CB MET 1 -6.055 -10.204 -16.962 1.00 72.13 ATOM 3 HB1 MET 1 -5.610 -9.259 -17.240 1.00 39.32 ATOM 4 HB2 MET 1 -6.072 -10.851 -17.827 1.00 51.32 ATOM 5 CG MET 1 -5.174 -10.852 -15.898 1.00 61.34 ATOM 6 HG1 MET 1 -5.554 -11.842 -15.690 1.00 39.32 ATOM 7 HG2 MET 1 -5.221 -10.255 -14.997 1.00 65.02 ATOM 8 SD MET 1 -3.448 -10.991 -16.394 1.00 12.34 ATOM 9 CE MET 1 -2.721 -11.633 -14.886 1.00 4.22 ATOM 10 HE1 MET 1 -3.153 -12.597 -14.659 1.00 51.25 ATOM 11 HE2 MET 1 -2.917 -10.951 -14.072 1.00 70.22 ATOM 12 HE3 MET 1 -1.656 -11.740 -15.020 1.00 23.20 ATOM 13 C MET 1 -7.477 -9.258 -15.129 1.00 4.23 ATOM 14 O MET 1 -7.310 -8.040 -15.042 1.00 23.24 ATOM 15 N MET 1 -8.236 -9.155 -17.515 1.00 44.41 ATOM 16 HT1 MET 1 -9.215 -8.992 -17.209 1.00 39.32 ATOM 17 HT2 MET 1 -8.253 -9.658 -18.427 1.00 39.32 ATOM 18 HT3 MET 1 -7.772 -8.235 -17.653 1.00 39.32 ATOM 19 CA MET 1 -7.501 -9.955 -16.498 1.00 41.15 ATOM 20 N GLY 2 -7.642 -10.041 -14.059 1.00 11.30 ATOM 21 HN GLY 2 -7.909 -10.978 -14.188 1.00 39.32 ATOM 22 CA GLY 2 -7.450 -9.525 -12.705 1.00 10.32 ATOM 23 HA1 GLY 2 -6.959 -8.563 -12.764 1.00 39.32 ATOM 24 HA2 GLY 2 -6.803 -10.205 -12.171 1.00 15.54 ATOM 25 C GLY 2 -8.741 -9.362 -11.907 1.00 33.54 ATOM 26 O GLY 2 -9.805 -9.081 -12.466 1.00 64.33 ATOM 27 N HIS 3 -8.643 -9.537 -10.589 1.00 52.41 ATOM 28 HN HIS 3 -7.780 -9.812 -10.211 1.00 39.32 ATOM 29 CA HIS 3 -9.777 -9.317 -9.686 1.00 64.11 ATOM 30 HA HIS 3 -10.672 -9.683 -10.172 1.00 41.43 ATOM 31 CB HIS 3 -9.566 -10.083 -8.372 1.00 30.24 ATOM 32 HB1 HIS 3 -10.435 -9.951 -7.741 1.00 39.32 ATOM 33 HB2 HIS 3 -8.700 -9.680 -7.868 1.00 73.44 ATOM 34 CG HIS 3 -9.343 -11.558 -8.554 1.00 11.32 ATOM 35 ND1 HIS 3 -8.089 -12.131 -8.593 1.00 13.25 ATOM 36 HD1 HIS 3 -7.235 -11.651 -8.522 1.00 74.25 ATOM 37 CD2 HIS 3 -10.221 -12.582 -8.688 1.00 15.44 ATOM 38 HD2 HIS 3 -11.299 -12.506 -8.700 1.00 65.33 ATOM 39 CE1 HIS 3 -8.203 -13.435 -8.743 1.00 2.43 ATOM 40 HE1 HIS 3 -7.386 -14.137 -8.806 1.00 63.01 ATOM 41 NE2 HIS 3 -9.484 -13.736 -8.804 1.00 24.54 ATOM 42 HE2 HIS 3 -9.846 -14.647 -8.741 1.00 39.32 ATOM 43 C HIS 3 -9.941 -7.816 -9.401 1.00 33.51 ATOM 44 O HIS 3 -9.294 -7.265 -8.509 1.00 71.14 ATOM 45 N HIS 4 -10.800 -7.157 -10.170 1.00 10.22 ATOM 46 HN HIS 4 -11.363 -7.660 -10.796 1.00 39.32 ATOM 47 CA HIS 4 -10.937 -5.698 -10.099 1.00 42.10 ATOM 48 HA HIS 4 -9.958 -5.287 -9.893 1.00 35.24 ATOM 49 CB HIS 4 -11.417 -5.151 -11.450 1.00 20.40 ATOM 50 HB1 HIS 4 -11.491 -4.075 -11.390 1.00 39.32 ATOM 51 HB2 HIS 4 -12.391 -5.561 -11.672 1.00 53.24 ATOM 52 CG HIS 4 -10.503 -5.488 -12.592 1.00 64.23 ATOM 53 ND1 HIS 4 -10.946 -5.666 -13.887 1.00 42.33 ATOM 54 HD1 HIS 4 -11.873 -5.580 -14.194 1.00 60.30 ATOM 55 CD2 HIS 4 -9.161 -5.674 -12.632 1.00 23.44 ATOM 56 HD2 HIS 4 -8.479 -5.610 -11.795 1.00 53.21 ATOM 57 CE1 HIS 4 -9.922 -5.948 -14.667 1.00 73.42 ATOM 58 HE1 HIS 4 -9.970 -6.138 -15.730 1.00 11.02 ATOM 59 NE2 HIS 4 -8.830 -5.958 -13.932 1.00 53.20 ATOM 60 HE2 HIS 4 -7.951 -6.268 -14.238 1.00 39.32 ATOM 61 C HIS 4 -11.892 -5.251 -8.981 1.00 41.04 ATOM 62 O HIS 4 -11.973 -4.063 -8.669 1.00 54.53 ATOM 63 N HIS 5 -12.627 -6.193 -8.389 1.00 52.14 ATOM 64 HN HIS 5 -12.553 -7.119 -8.701 1.00 39.32 ATOM 65 CA HIS 5 -13.552 -5.873 -7.289 1.00 61.02 ATOM 66 HA HIS 5 -13.370 -4.846 -6.998 1.00 50.43 ATOM 67 CB HIS 5 -15.004 -5.991 -7.762 1.00 71.32 ATOM 68 HB1 HIS 5 -15.666 -5.759 -6.940 1.00 39.32 ATOM 69 HB2 HIS 5 -15.190 -7.002 -8.094 1.00 42.11 ATOM 70 CG HIS 5 -15.335 -5.067 -8.894 1.00 72.34 ATOM 71 ND1 HIS 5 -15.774 -3.775 -8.710 1.00 54.43 ATOM 72 HD1 HIS 5 -15.921 -3.335 -7.844 1.00 22.25 ATOM 73 CD2 HIS 5 -15.271 -5.248 -10.236 1.00 35.43 ATOM 74 HD2 HIS 5 -14.963 -6.149 -10.748 1.00 34.14 ATOM 75 CE1 HIS 5 -15.967 -3.205 -9.881 1.00 52.22 ATOM 76 HE1 HIS 5 -16.312 -2.194 -10.042 1.00 11.13 ATOM 77 NE2 HIS 5 -15.669 -4.075 -10.823 1.00 22.21 ATOM 78 HE2 HIS 5 -15.580 -3.859 -11.778 1.00 39.32 ATOM 79 C HIS 5 -13.311 -6.765 -6.059 1.00 2.52 ATOM 80 O HIS 5 -12.903 -6.281 -5.004 1.00 40.31 ATOM 81 N HIS 6 -13.567 -8.068 -6.186 1.00 4.00 ATOM 82 HN HIS 6 -13.922 -8.408 -7.035 1.00 39.32 ATOM 83 CA HIS 6 -13.324 -9.001 -5.078 1.00 30.33 ATOM 84 HA HIS 6 -13.776 -8.579 -4.189 1.00 22.20 ATOM 85 CB HIS 6 -13.962 -10.371 -5.355 1.00 64.32 ATOM 86 HB1 HIS 6 -13.699 -11.050 -4.555 1.00 39.32 ATOM 87 HB2 HIS 6 -13.575 -10.758 -6.287 1.00 71.22 ATOM 88 CG HIS 6 -15.457 -10.347 -5.459 1.00 52.54 ATOM 89 ND1 HIS 6 -16.149 -10.966 -6.476 1.00 0.15 ATOM 90 HD1 HIS 6 -15.749 -11.464 -7.221 1.00 1.22 ATOM 91 CD2 HIS 6 -16.397 -9.800 -4.651 1.00 72.14 ATOM 92 HD2 HIS 6 -16.216 -9.234 -3.749 1.00 34.34 ATOM 93 CE1 HIS 6 -17.442 -10.802 -6.294 1.00 42.13 ATOM 94 HE1 HIS 6 -18.223 -11.183 -6.935 1.00 12.44 ATOM 95 NE2 HIS 6 -17.622 -10.100 -5.195 1.00 33.51 ATOM 96 HE2 HIS 6 -18.489 -9.965 -4.751 1.00 39.32 ATOM 97 C HIS 6 -11.817 -9.171 -4.826 1.00 74.12 ATOM 98 O HIS 6 -11.152 -9.965 -5.492 1.00 72.21 ATOM 99 N HIS 7 -11.280 -8.403 -3.881 1.00 31.35 ATOM 100 HN HIS 7 -11.852 -7.760 -3.415 1.00 39.32 ATOM 101 CA HIS 7 -9.857 -8.484 -3.529 1.00 44.12 ATOM 102 HA HIS 7 -9.352 -9.006 -4.331 1.00 50.31 ATOM 103 CB HIS 7 -9.252 -7.072 -3.414 1.00 32.34 ATOM 104 HB1 HIS 7 -9.266 -6.607 -4.390 1.00 39.32 ATOM 105 HB2 HIS 7 -8.229 -7.153 -3.079 1.00 54.32 ATOM 106 CG HIS 7 -9.977 -6.165 -2.461 1.00 62.24 ATOM 107 ND1 HIS 7 -9.741 -6.157 -1.104 1.00 21.30 ATOM 108 HD1 HIS 7 -9.100 -6.730 -0.633 1.00 43.32 ATOM 109 CD2 HIS 7 -10.938 -5.233 -2.673 1.00 64.22 ATOM 110 HD2 HIS 7 -11.372 -4.962 -3.626 1.00 30.43 ATOM 111 CE1 HIS 7 -10.519 -5.268 -0.524 1.00 10.44 ATOM 112 HE1 HIS 7 -10.548 -5.047 0.533 1.00 24.15 ATOM 113 NE2 HIS 7 -11.253 -4.694 -1.452 1.00 23.10 ATOM 114 HE2 HIS 7 -11.976 -4.051 -1.280 1.00 39.32 ATOM 115 C HIS 7 -9.643 -9.287 -2.229 1.00 53.22 ATOM 116 O HIS 7 -9.710 -8.748 -1.125 1.00 4.30 ATOM 117 N HIS 8 -9.407 -10.589 -2.371 1.00 61.10 ATOM 118 HN HIS 8 -9.376 -10.970 -3.275 1.00 39.32 ATOM 119 CA HIS 8 -9.191 -11.469 -1.215 1.00 63.23 ATOM 120 HA HIS 8 -9.682 -11.019 -0.363 1.00 61.52 ATOM 121 CB HIS 8 -9.813 -12.852 -1.467 1.00 32.42 ATOM 122 HB1 HIS 8 -9.421 -13.256 -2.389 1.00 39.32 ATOM 123 HB2 HIS 8 -10.885 -12.747 -1.555 1.00 40.12 ATOM 124 CG HIS 8 -9.539 -13.843 -0.375 1.00 73.42 ATOM 125 ND1 HIS 8 -8.644 -14.883 -0.511 1.00 3.31 ATOM 126 HD1 HIS 8 -8.118 -15.083 -1.317 1.00 14.32 ATOM 127 CD2 HIS 8 -10.041 -13.946 0.879 1.00 35.24 ATOM 128 HD2 HIS 8 -10.774 -13.294 1.334 1.00 74.22 ATOM 129 CE1 HIS 8 -8.606 -15.581 0.606 1.00 23.15 ATOM 130 HE1 HIS 8 -7.989 -16.449 0.788 1.00 15.24 ATOM 131 NE2 HIS 8 -9.442 -15.036 1.465 1.00 71.11 ATOM 132 HE2 HIS 8 -9.715 -15.442 2.315 1.00 39.32 ATOM 133 C HIS 8 -7.697 -11.617 -0.895 1.00 13.34 ATOM 134 O HIS 8 -6.939 -12.200 -1.673 1.00 1.33 ATOM 135 N SER 9 -7.287 -11.098 0.259 1.00 41.21 ATOM 136 HN SER 9 -7.935 -10.632 0.829 1.00 39.32 ATOM 137 CA SER 9 -5.895 -11.202 0.710 1.00 72.32 ATOM 138 HA SER 9 -5.263 -10.850 -0.093 1.00 41.04 ATOM 139 CB SER 9 -5.662 -10.316 1.944 1.00 51.34 ATOM 140 HB1 SER 9 -5.835 -9.282 1.680 1.00 39.32 ATOM 141 HB2 SER 9 -4.643 -10.429 2.286 1.00 11.20 ATOM 142 OG SER 9 -6.539 -10.666 3.004 1.00 21.45 ATOM 143 HG SER 9 -6.055 -11.178 3.664 1.00 12.42 ATOM 144 C SER 9 -5.518 -12.654 1.035 1.00 65.24 ATOM 145 O SER 9 -6.309 -13.408 1.609 1.00 1.12 ATOM 146 N HIS 10 -4.307 -13.046 0.656 1.00 15.20 ATOM 147 HN HIS 10 -3.737 -12.415 0.165 1.00 39.32 ATOM 148 CA HIS 10 -3.809 -14.393 0.936 1.00 54.11 ATOM 149 HA HIS 10 -4.323 -14.758 1.815 1.00 4.14 ATOM 150 CB HIS 10 -4.121 -15.331 -0.239 1.00 62.30 ATOM 151 HB1 HIS 10 -3.604 -14.977 -1.120 1.00 39.32 ATOM 152 HB2 HIS 10 -5.185 -15.320 -0.426 1.00 31.24 ATOM 153 CG HIS 10 -3.709 -16.754 0.001 1.00 2.13 ATOM 154 ND1 HIS 10 -4.478 -17.655 0.712 1.00 75.43 ATOM 155 HD1 HIS 10 -5.353 -17.474 1.116 1.00 73.31 ATOM 156 CD2 HIS 10 -2.598 -17.432 -0.376 1.00 73.45 ATOM 157 HD2 HIS 10 -1.774 -17.042 -0.957 1.00 45.54 ATOM 158 CE1 HIS 10 -3.853 -18.816 0.764 1.00 31.14 ATOM 159 HE1 HIS 10 -4.214 -19.706 1.258 1.00 24.02 ATOM 160 NE2 HIS 10 -2.718 -18.706 0.113 1.00 63.12 ATOM 161 HE2 HIS 10 -2.130 -19.457 -0.121 1.00 39.32 ATOM 162 C HIS 10 -2.297 -14.380 1.222 1.00 54.13 ATOM 163 O HIS 10 -1.481 -14.307 0.300 1.00 33.20 ATOM 164 N PRO 11 -1.908 -14.443 2.509 1.00 23.15 ATOM 165 CA PRO 11 -0.493 -14.451 2.913 1.00 11.13 ATOM 166 HA PRO 11 0.075 -13.706 2.375 1.00 3.34 ATOM 167 CB PRO 11 -0.567 -14.071 4.395 1.00 22.23 ATOM 168 HB1 PRO 11 -0.528 -12.995 4.497 1.00 39.32 ATOM 169 HB2 PRO 11 0.260 -14.518 4.932 1.00 4.45 ATOM 170 CG PRO 11 -1.879 -14.613 4.855 1.00 71.55 ATOM 171 HG1 PRO 11 -2.248 -14.030 5.687 1.00 39.32 ATOM 172 HG2 PRO 11 -1.768 -15.650 5.145 1.00 61.35 ATOM 173 CD PRO 11 -2.815 -14.496 3.677 1.00 5.44 ATOM 174 HD1 PRO 11 -3.401 -13.590 3.749 1.00 39.32 ATOM 175 HD2 PRO 11 -3.464 -15.359 3.620 1.00 44.32 ATOM 176 C PRO 11 0.176 -15.828 2.733 1.00 33.42 ATOM 177 O PRO 11 -0.496 -16.863 2.736 1.00 13.33 ATOM 178 N ASN 12 1.500 -15.825 2.569 1.00 40.22 ATOM 179 HN ASN 12 1.968 -14.966 2.531 1.00 39.32 ATOM 180 CA ASN 12 2.279 -17.066 2.425 1.00 43.00 ATOM 181 HA ASN 12 1.831 -17.652 1.635 1.00 73.31 ATOM 182 CB ASN 12 3.725 -16.731 2.042 1.00 71.30 ATOM 183 HB1 ASN 12 4.241 -17.641 1.777 1.00 39.32 ATOM 184 HB2 ASN 12 4.218 -16.277 2.891 1.00 23.34 ATOM 185 CG ASN 12 3.814 -15.772 0.869 1.00 41.23 ATOM 186 OD1 ASN 12 2.932 -15.720 0.020 1.00 34.13 ATOM 187 ND2 ASN 12 4.878 -15.001 0.815 1.00 70.34 ATOM 188 HD21 ASN 12 5.549 -15.088 1.523 1.00 61.22 ATOM 189 HD22 ASN 12 4.952 -14.369 0.070 1.00 73.45 ATOM 190 C ASN 12 2.269 -17.894 3.726 1.00 21.51 ATOM 191 O ASN 12 1.683 -17.483 4.728 1.00 5.43 ATOM 192 N GLU 13 2.936 -19.050 3.711 1.00 32.24 ATOM 193 HN GLU 13 3.392 -19.328 2.886 1.00 39.32 ATOM 194 CA GLU 13 3.003 -19.925 4.893 1.00 4.15 ATOM 195 HA GLU 13 1.998 -20.251 5.119 1.00 60.32 ATOM 196 CB GLU 13 3.870 -21.154 4.593 1.00 70.25 ATOM 197 HB1 GLU 13 4.853 -20.823 4.289 1.00 39.32 ATOM 198 HB2 GLU 13 3.421 -21.707 3.780 1.00 73.11 ATOM 199 CG GLU 13 4.030 -22.096 5.781 1.00 70.34 ATOM 200 HG1 GLU 13 3.072 -22.548 5.999 1.00 39.32 ATOM 201 HG2 GLU 13 4.356 -21.523 6.638 1.00 63.32 ATOM 202 CD GLU 13 5.042 -23.196 5.519 1.00 63.30 ATOM 203 OE1 GLU 13 4.633 -24.334 5.224 1.00 43.34 ATOM 204 OE2 GLU 13 6.256 -22.920 5.606 1.00 40.43 ATOM 205 C GLU 13 3.570 -19.182 6.117 1.00 55.24 ATOM 206 O GLU 13 2.910 -19.068 7.151 1.00 30.11 ATOM 207 N GLU 14 4.793 -18.673 5.985 1.00 2.21 ATOM 208 HN GLU 14 5.286 -18.835 5.155 1.00 39.32 ATOM 209 CA GLU 14 5.429 -17.893 7.053 1.00 33.01 ATOM 210 HA GLU 14 5.489 -18.525 7.927 1.00 64.21 ATOM 211 CB GLU 14 6.852 -17.483 6.640 1.00 73.40 ATOM 212 HB1 GLU 14 7.156 -16.633 7.234 1.00 39.32 ATOM 213 HB2 GLU 14 6.844 -17.192 5.599 1.00 13.03 ATOM 214 CG GLU 14 7.895 -18.583 6.820 1.00 43.24 ATOM 215 HG1 GLU 14 8.797 -18.297 6.296 1.00 39.32 ATOM 216 HG2 GLU 14 7.511 -19.500 6.393 1.00 74.42 ATOM 217 CD GLU 14 8.236 -18.829 8.285 1.00 14.34 ATOM 218 OE1 GLU 14 9.196 -18.211 8.790 1.00 31.43 ATOM 219 OE2 GLU 14 7.548 -19.632 8.943 1.00 24.35 ATOM 220 C GLU 14 4.605 -16.648 7.409 1.00 24.00 ATOM 221 O GLU 14 4.412 -16.337 8.583 1.00 41.34 ATOM 222 N ALA 15 4.108 -15.950 6.391 1.00 54.41 ATOM 223 HN ALA 15 4.281 -16.256 5.478 1.00 39.32 ATOM 224 CA ALA 15 3.314 -14.735 6.599 1.00 11.01 ATOM 225 HA ALA 15 3.942 -14.017 7.110 1.00 4.40 ATOM 226 CB ALA 15 2.912 -14.135 5.257 1.00 44.14 ATOM 227 HB1 ALA 15 2.378 -13.209 5.418 1.00 0.14 ATOM 228 HB2 ALA 15 2.276 -14.829 4.728 1.00 34.21 ATOM 229 HB3 ALA 15 3.798 -13.940 4.668 1.00 3.42 ATOM 230 C ALA 15 2.068 -15.005 7.464 1.00 55.23 ATOM 231 O ALA 15 1.781 -14.259 8.403 1.00 73.23 ATOM 232 N ARG 16 1.324 -16.066 7.140 1.00 54.33 ATOM 233 HN ARG 16 1.580 -16.611 6.368 1.00 39.32 ATOM 234 CA ARG 16 0.132 -16.432 7.917 1.00 42.33 ATOM 235 HA ARG 16 -0.434 -15.523 8.082 1.00 20.32 ATOM 236 CB ARG 16 -0.758 -17.422 7.145 1.00 62.44 ATOM 237 HB1 ARG 16 -0.948 -17.018 6.160 1.00 39.32 ATOM 238 HB2 ARG 16 -1.701 -17.518 7.667 1.00 30.33 ATOM 239 CG ARG 16 -0.167 -18.821 6.978 1.00 62.25 ATOM 240 HG1 ARG 16 0.048 -19.231 7.956 1.00 39.32 ATOM 241 HG2 ARG 16 0.749 -18.748 6.409 1.00 22.35 ATOM 242 CD ARG 16 -1.130 -19.754 6.247 1.00 13.13 ATOM 243 HD1 ARG 16 -0.685 -20.737 6.186 1.00 39.32 ATOM 244 HD2 ARG 16 -1.296 -19.374 5.249 1.00 14.12 ATOM 245 NE ARG 16 -2.417 -19.863 6.935 1.00 13.20 ATOM 246 HE ARG 16 -2.440 -20.361 7.773 1.00 65.53 ATOM 247 CZ ARG 16 -3.530 -19.335 6.494 1.00 14.03 ATOM 248 NH1 ARG 16 -3.546 -18.672 5.383 1.00 22.22 ATOM 249 HH11 ARG 16 -2.708 -18.561 4.859 1.00 50.00 ATOM 250 HH12 ARG 16 -4.402 -18.278 5.054 1.00 25.05 ATOM 251 NH2 ARG 16 -4.626 -19.461 7.167 1.00 54.42 ATOM 252 HH21 ARG 16 -4.628 -19.965 8.025 1.00 43.25 ATOM 253 HH22 ARG 16 -5.466 -19.046 6.825 1.00 25.33 ATOM 254 C ARG 16 0.508 -17.015 9.288 1.00 32.15 ATOM 255 O ARG 16 -0.199 -16.806 10.273 1.00 15.24 ATOM 256 N LEU 17 1.623 -17.745 9.350 1.00 20.23 ATOM 257 HN LEU 17 2.145 -17.891 8.532 1.00 39.32 ATOM 258 CA LEU 17 2.085 -18.339 10.610 1.00 14.21 ATOM 259 HA LEU 17 1.250 -18.877 11.038 1.00 71.30 ATOM 260 CB LEU 17 3.228 -19.332 10.354 1.00 73.21 ATOM 261 HB1 LEU 17 4.036 -18.800 9.868 1.00 39.32 ATOM 262 HB2 LEU 17 2.866 -20.095 9.677 1.00 61.04 ATOM 263 CG LEU 17 3.791 -20.024 11.607 1.00 41.24 ATOM 264 HG LEU 17 4.211 -19.275 12.259 1.00 51.11 ATOM 265 CD1 LEU 17 2.689 -20.739 12.383 1.00 4.31 ATOM 266 HD11 LEU 17 3.110 -21.206 13.261 1.00 61.45 ATOM 267 HD12 LEU 17 2.234 -21.494 11.757 1.00 53.43 ATOM 268 HD13 LEU 17 1.940 -20.022 12.685 1.00 22.43 ATOM 269 CD2 LEU 17 4.908 -20.998 11.230 1.00 61.53 ATOM 270 HD21 LEU 17 4.521 -21.752 10.559 1.00 31.41 ATOM 271 HD22 LEU 17 5.290 -21.474 12.122 1.00 4.11 ATOM 272 HD23 LEU 17 5.706 -20.459 10.741 1.00 63.45 ATOM 273 C LEU 17 2.526 -17.258 11.611 1.00 24.04 ATOM 274 O LEU 17 2.340 -17.407 12.822 1.00 20.33 ATOM 275 N ASP 18 3.108 -16.173 11.102 1.00 32.13 ATOM 276 HN ASP 18 3.309 -16.143 10.142 1.00 39.32 ATOM 277 CA ASP 18 3.469 -15.026 11.941 1.00 60.21 ATOM 278 HA ASP 18 4.202 -15.365 12.656 1.00 55.21 ATOM 279 CB ASP 18 4.085 -13.909 11.090 1.00 32.44 ATOM 280 HB1 ASP 18 4.099 -12.994 11.667 1.00 39.32 ATOM 281 HB2 ASP 18 3.473 -13.760 10.213 1.00 75.55 ATOM 282 CG ASP 18 5.506 -14.207 10.632 1.00 10.42 ATOM 283 OD1 ASP 18 6.031 -15.312 10.908 1.00 63.41 ATOM 284 OD2 ASP 18 6.117 -13.320 9.998 1.00 15.02 ATOM 285 C ASP 18 2.251 -14.492 12.710 1.00 4.20 ATOM 286 O ASP 18 2.372 -14.057 13.853 1.00 52.22 ATOM 287 N ILE 19 1.078 -14.549 12.082 1.00 45.22 ATOM 288 HN ILE 19 1.047 -14.886 11.161 1.00 39.32 ATOM 289 CA ILE 19 -0.167 -14.121 12.727 1.00 51.12 ATOM 290 HA ILE 19 -0.076 -13.067 12.959 1.00 41.04 ATOM 291 CB ILE 19 -1.383 -14.308 11.781 1.00 15.35 ATOM 292 HB ILE 19 -1.522 -15.369 11.616 1.00 73.03 ATOM 293 CG1 ILE 19 -1.119 -13.622 10.430 1.00 51.41 ATOM 294 HG11 ILE 19 -0.206 -14.017 10.006 1.00 39.32 ATOM 295 HG12 ILE 19 -1.004 -12.560 10.587 1.00 33.52 ATOM 296 CG2 ILE 19 -2.658 -13.759 12.421 1.00 72.00 ATOM 297 HG21 ILE 19 -3.494 -13.912 11.753 1.00 42.04 ATOM 298 HG22 ILE 19 -2.541 -12.702 12.614 1.00 31.11 ATOM 299 HG23 ILE 19 -2.844 -14.274 13.353 1.00 43.52 ATOM 300 CD1 ILE 19 -2.225 -13.819 9.412 1.00 71.22 ATOM 301 HD11 ILE 19 -2.355 -14.874 9.220 1.00 15.00 ATOM 302 HD12 ILE 19 -1.961 -13.317 8.492 1.00 43.11 ATOM 303 HD13 ILE 19 -3.148 -13.407 9.794 1.00 72.24 ATOM 304 C ILE 19 -0.403 -14.902 14.034 1.00 54.14 ATOM 305 O ILE 19 -0.815 -14.330 15.048 1.00 14.21 ATOM 306 N LEU 20 -0.119 -16.208 14.009 1.00 14.31 ATOM 307 HN LEU 20 0.173 -16.615 13.167 1.00 39.32 ATOM 308 CA LEU 20 -0.219 -17.043 15.212 1.00 63.11 ATOM 309 HA LEU 20 -1.157 -16.805 15.697 1.00 11.15 ATOM 310 CB LEU 20 -0.206 -18.545 14.869 1.00 3.45 ATOM 311 HB1 LEU 20 -0.230 -19.100 15.798 1.00 39.32 ATOM 312 HB2 LEU 20 0.726 -18.768 14.367 1.00 22.14 ATOM 313 CG LEU 20 -1.369 -19.041 13.984 1.00 45.33 ATOM 314 HG LEU 20 -2.258 -18.479 14.236 1.00 1.52 ATOM 315 CD1 LEU 20 -1.082 -18.798 12.503 1.00 71.42 ATOM 316 HD11 LEU 20 -0.956 -17.739 12.330 1.00 33.22 ATOM 317 HD12 LEU 20 -1.910 -19.160 11.908 1.00 1.42 ATOM 318 HD13 LEU 20 -0.179 -19.318 12.216 1.00 43.42 ATOM 319 CD2 LEU 20 -1.666 -20.518 14.248 1.00 23.54 ATOM 320 HD21 LEU 20 -0.793 -21.113 14.017 1.00 64.03 ATOM 321 HD22 LEU 20 -2.493 -20.837 13.630 1.00 73.33 ATOM 322 HD23 LEU 20 -1.927 -20.650 15.289 1.00 55.24 ATOM 323 C LEU 20 0.924 -16.725 16.186 1.00 63.21 ATOM 324 O LEU 20 0.710 -16.620 17.394 1.00 34.33 ATOM 325 N LYS 21 2.138 -16.561 15.647 1.00 30.44 ATOM 326 HN LYS 21 2.249 -16.697 14.681 1.00 39.32 ATOM 327 CA LYS 21 3.309 -16.182 16.457 1.00 60.40 ATOM 328 HA LYS 21 3.508 -16.988 17.149 1.00 54.42 ATOM 329 CB LYS 21 4.543 -15.974 15.560 1.00 52.13 ATOM 330 HB1 LYS 21 5.357 -15.608 16.172 1.00 39.32 ATOM 331 HB2 LYS 21 4.306 -15.224 14.817 1.00 24.33 ATOM 332 CG LYS 21 5.025 -17.227 14.828 1.00 3.22 ATOM 333 HG1 LYS 21 4.186 -17.684 14.321 1.00 39.32 ATOM 334 HG2 LYS 21 5.435 -17.922 15.548 1.00 13.44 ATOM 335 CD LYS 21 6.101 -16.885 13.797 1.00 21.45 ATOM 336 HD1 LYS 21 6.937 -16.424 14.305 1.00 39.32 ATOM 337 HD2 LYS 21 5.687 -16.189 13.086 1.00 41.34 ATOM 338 CE LYS 21 6.596 -18.113 13.041 1.00 62.45 ATOM 339 HE1 LYS 21 5.752 -18.727 12.778 1.00 39.32 ATOM 340 HE2 LYS 21 7.260 -18.675 13.681 1.00 24.25 ATOM 341 NZ LYS 21 7.327 -17.739 11.800 1.00 73.42 ATOM 342 HZ1 LYS 21 8.223 -17.270 12.037 1.00 65.12 ATOM 343 HZ2 LYS 21 6.753 -17.083 11.228 1.00 51.42 ATOM 344 HZ3 LYS 21 7.534 -18.589 11.234 1.00 10.12 ATOM 345 C LYS 21 3.038 -14.893 17.254 1.00 71.40 ATOM 346 O LYS 21 3.488 -14.745 18.386 1.00 54.03 ATOM 347 N ILE 22 2.294 -13.970 16.643 1.00 54.44 ATOM 348 HN ILE 22 1.976 -14.151 15.732 1.00 39.32 ATOM 349 CA ILE 22 1.952 -12.689 17.271 1.00 34.31 ATOM 350 HA ILE 22 2.836 -12.316 17.772 1.00 33.33 ATOM 351 CB ILE 22 1.528 -11.648 16.199 1.00 13.31 ATOM 352 HB ILE 22 0.702 -12.064 15.637 1.00 11.53 ATOM 353 CG1 ILE 22 2.692 -11.367 15.233 1.00 73.12 ATOM 354 HG11 ILE 22 3.051 -12.302 14.829 1.00 39.32 ATOM 355 HG12 ILE 22 3.493 -10.885 15.775 1.00 5.54 ATOM 356 CG2 ILE 22 1.046 -10.353 16.854 1.00 22.42 ATOM 357 HG21 ILE 22 1.840 -9.938 17.459 1.00 5.02 ATOM 358 HG22 ILE 22 0.190 -10.561 17.480 1.00 14.44 ATOM 359 HG23 ILE 22 0.767 -9.641 16.091 1.00 41.23 ATOM 360 CD1 ILE 22 2.322 -10.470 14.068 1.00 3.42 ATOM 361 HD11 ILE 22 1.979 -9.516 14.442 1.00 25.05 ATOM 362 HD12 ILE 22 1.537 -10.933 13.489 1.00 63.44 ATOM 363 HD13 ILE 22 3.189 -10.320 13.442 1.00 1.22 ATOM 364 C ILE 22 0.819 -12.833 18.302 1.00 1.43 ATOM 365 O ILE 22 0.980 -12.491 19.474 1.00 12.33 ATOM 366 N HIS 23 -0.326 -13.360 17.864 1.00 13.54 ATOM 367 HN HIS 23 -0.360 -13.741 16.960 1.00 39.32 ATOM 368 CA HIS 23 -1.532 -13.392 18.702 1.00 51.12 ATOM 369 HA HIS 23 -1.608 -12.426 19.182 1.00 1.11 ATOM 370 CB HIS 23 -2.783 -13.589 17.833 1.00 51.41 ATOM 371 HB1 HIS 23 -3.645 -13.714 18.473 1.00 39.32 ATOM 372 HB2 HIS 23 -2.659 -14.473 17.226 1.00 14.42 ATOM 373 CG HIS 23 -3.058 -12.436 16.917 1.00 52.40 ATOM 374 ND1 HIS 23 -3.364 -11.173 17.375 1.00 63.41 ATOM 375 HD1 HIS 23 -3.430 -10.904 18.316 1.00 25.41 ATOM 376 CD2 HIS 23 -3.067 -12.353 15.565 1.00 11.43 ATOM 377 HD2 HIS 23 -2.867 -13.157 14.871 1.00 33.44 ATOM 378 CE1 HIS 23 -3.550 -10.368 16.351 1.00 5.02 ATOM 379 HE1 HIS 23 -3.799 -9.318 16.411 1.00 1.41 ATOM 380 NE2 HIS 23 -3.375 -11.055 15.244 1.00 23.15 ATOM 381 HE2 HIS 23 -3.369 -10.672 14.337 1.00 39.32 ATOM 382 C HIS 23 -1.476 -14.463 19.809 1.00 62.43 ATOM 383 O HIS 23 -2.411 -14.582 20.602 1.00 73.42 ATOM 384 N SER 24 -0.389 -15.228 19.874 1.00 3.51 ATOM 385 HN SER 24 0.309 -15.129 19.191 1.00 39.32 ATOM 386 CA SER 24 -0.216 -16.239 20.937 1.00 32.40 ATOM 387 HA SER 24 -1.196 -16.494 21.314 1.00 42.13 ATOM 388 CB SER 24 0.443 -17.508 20.371 1.00 42.43 ATOM 389 HB1 SER 24 -0.153 -17.886 19.553 1.00 39.32 ATOM 390 HB2 SER 24 0.502 -18.258 21.146 1.00 13.11 ATOM 391 OG SER 24 1.754 -17.241 19.894 1.00 40.40 ATOM 392 HG SER 24 1.741 -17.193 18.931 1.00 60.34 ATOM 393 C SER 24 0.629 -15.703 22.104 1.00 23.34 ATOM 394 O SER 24 0.697 -16.319 23.166 1.00 14.11 ATOM 395 N ARG 25 1.233 -14.531 21.912 1.00 70.40 ATOM 396 HN ARG 25 1.034 -14.025 21.096 1.00 39.32 ATOM 397 CA ARG 25 2.195 -13.975 22.879 1.00 73.34 ATOM 398 HA ARG 25 2.873 -14.770 23.155 1.00 1.43 ATOM 399 CB ARG 25 3.007 -12.855 22.214 1.00 42.03 ATOM 400 HB1 ARG 25 3.746 -12.498 22.916 1.00 39.32 ATOM 401 HB2 ARG 25 2.338 -12.043 21.964 1.00 41.22 ATOM 402 CG ARG 25 3.727 -13.294 20.940 1.00 20.21 ATOM 403 HG1 ARG 25 2.996 -13.685 20.244 1.00 39.32 ATOM 404 HG2 ARG 25 4.436 -14.070 21.188 1.00 62.54 ATOM 405 CD ARG 25 4.475 -12.141 20.274 1.00 15.42 ATOM 406 HD1 ARG 25 3.792 -11.315 20.139 1.00 39.32 ATOM 407 HD2 ARG 25 4.832 -12.471 19.308 1.00 24.50 ATOM 408 NE ARG 25 5.616 -11.692 21.068 1.00 50.42 ATOM 409 HE ARG 25 6.057 -12.354 21.638 1.00 12.34 ATOM 410 CZ ARG 25 6.089 -10.478 21.059 1.00 2.51 ATOM 411 NH1 ARG 25 5.557 -9.566 20.311 1.00 2.53 ATOM 412 HH11 ARG 25 4.779 -9.788 19.729 1.00 32.45 ATOM 413 HH12 ARG 25 5.915 -8.636 20.330 1.00 75.11 ATOM 414 NH2 ARG 25 7.109 -10.184 21.796 1.00 50.41 ATOM 415 HH21 ARG 25 7.527 -10.886 22.370 1.00 4.21 ATOM 416 HH22 ARG 25 7.478 -9.258 21.786 1.00 4.52 ATOM 417 C ARG 25 1.531 -13.440 24.165 1.00 12.21 ATOM 418 O ARG 25 2.215 -12.917 25.046 1.00 52.32 ATOM 419 N LYS 26 0.208 -13.562 24.279 1.00 34.03 ATOM 420 HN LYS 26 -0.301 -13.965 23.546 1.00 39.32 ATOM 421 CA LYS 26 -0.502 -13.111 25.487 1.00 21.41 ATOM 422 HA LYS 26 0.169 -12.467 26.039 1.00 60.23 ATOM 423 CB LYS 26 -1.750 -12.302 25.114 1.00 54.24 ATOM 424 HB1 LYS 26 -2.297 -12.070 26.018 1.00 39.32 ATOM 425 HB2 LYS 26 -2.378 -12.902 24.470 1.00 51.04 ATOM 426 CG LYS 26 -1.443 -10.996 24.396 1.00 32.34 ATOM 427 HG1 LYS 26 -0.937 -11.219 23.467 1.00 39.32 ATOM 428 HG2 LYS 26 -0.798 -10.395 25.022 1.00 3.44 ATOM 429 CD LYS 26 -2.717 -10.210 24.091 1.00 51.23 ATOM 430 HD1 LYS 26 -3.219 -9.981 25.023 1.00 39.32 ATOM 431 HD2 LYS 26 -3.363 -10.817 23.474 1.00 72.43 ATOM 432 CE LYS 26 -2.424 -8.909 23.355 1.00 31.42 ATOM 433 HE1 LYS 26 -1.836 -8.270 23.997 1.00 39.32 ATOM 434 HE2 LYS 26 -3.360 -8.422 23.128 1.00 41.54 ATOM 435 NZ LYS 26 -1.681 -9.136 22.087 1.00 23.14 ATOM 436 HZ1 LYS 26 -2.166 -9.853 21.509 1.00 33.43 ATOM 437 HZ2 LYS 26 -0.716 -9.464 22.291 1.00 25.32 ATOM 438 HZ3 LYS 26 -1.625 -8.249 21.544 1.00 73.34 ATOM 439 C LYS 26 -0.894 -14.289 26.392 1.00 74.42 ATOM 440 O LYS 26 -0.981 -14.140 27.614 1.00 21.23 ATOM 441 N MET 27 -1.142 -15.454 25.794 1.00 43.13 ATOM 442 HN MET 27 -1.070 -15.513 24.815 1.00 39.32 ATOM 443 CA MET 27 -1.507 -16.656 26.559 1.00 74.11 ATOM 444 HA MET 27 -1.989 -16.333 27.472 1.00 3.53 ATOM 445 CB MET 27 -2.493 -17.525 25.760 1.00 3.34 ATOM 446 HB1 MET 27 -2.699 -18.426 26.322 1.00 39.32 ATOM 447 HB2 MET 27 -2.036 -17.797 24.819 1.00 21.35 ATOM 448 CG MET 27 -3.820 -16.838 25.462 1.00 70.24 ATOM 449 HG1 MET 27 -3.629 -15.955 24.868 1.00 39.32 ATOM 450 HG2 MET 27 -4.279 -16.546 26.397 1.00 54.13 ATOM 451 SD MET 27 -4.971 -17.902 24.564 1.00 74.01 ATOM 452 CE MET 27 -4.035 -18.264 23.076 1.00 34.15 ATOM 453 HE1 MET 27 -3.123 -18.781 23.337 1.00 40.21 ATOM 454 HE2 MET 27 -3.792 -17.341 22.570 1.00 63.04 ATOM 455 HE3 MET 27 -4.627 -18.887 22.422 1.00 42.35 ATOM 456 C MET 27 -0.266 -17.483 26.927 1.00 54.35 ATOM 457 O MET 27 0.737 -17.466 26.215 1.00 35.13 ATOM 458 N ASN 28 -0.336 -18.204 28.047 1.00 22.34 ATOM 459 HN ASN 28 -1.143 -18.150 28.598 1.00 39.32 ATOM 460 CA ASN 28 0.774 -19.063 28.476 1.00 23.41 ATOM 461 HA ASN 28 1.669 -18.457 28.500 1.00 43.00 ATOM 462 CB ASN 28 0.525 -19.636 29.878 1.00 25.23 ATOM 463 HB1 ASN 28 1.440 -20.080 30.246 1.00 39.32 ATOM 464 HB2 ASN 28 -0.237 -20.400 29.817 1.00 31.10 ATOM 465 CG ASN 28 0.070 -18.589 30.872 1.00 64.32 ATOM 466 OD1 ASN 28 0.875 -17.874 31.457 1.00 21.04 ATOM 467 ND2 ASN 28 -1.225 -18.517 31.104 1.00 51.42 ATOM 468 HD21 ASN 28 -1.817 -19.142 30.634 1.00 70.21 ATOM 469 HD22 ASN 28 -1.541 -17.840 31.740 1.00 11.35 ATOM 470 C ASN 28 0.987 -20.220 27.491 1.00 64.12 ATOM 471 O ASN 28 0.219 -21.178 27.473 1.00 51.03 ATOM 472 N LEU 29 2.014 -20.122 26.659 1.00 2.22 ATOM 473 HN LEU 29 2.561 -19.308 26.668 1.00 39.32 ATOM 474 CA LEU 29 2.339 -21.202 25.722 1.00 23.44 ATOM 475 HA LEU 29 1.407 -21.589 25.330 1.00 2.54 ATOM 476 CB LEU 29 3.184 -20.664 24.558 1.00 21.44 ATOM 477 HB1 LEU 29 3.386 -21.481 23.880 1.00 39.32 ATOM 478 HB2 LEU 29 4.126 -20.309 24.957 1.00 33.15 ATOM 479 CG LEU 29 2.536 -19.520 23.755 1.00 53.51 ATOM 480 HG LEU 29 2.424 -18.659 24.399 1.00 34.14 ATOM 481 CD1 LEU 29 3.425 -19.111 22.585 1.00 13.35 ATOM 482 HD11 LEU 29 4.382 -18.776 22.958 1.00 32.15 ATOM 483 HD12 LEU 29 2.954 -18.307 22.038 1.00 5.44 ATOM 484 HD13 LEU 29 3.571 -19.956 21.927 1.00 54.41 ATOM 485 CD2 LEU 29 1.145 -19.922 23.264 1.00 33.12 ATOM 486 HD21 LEU 29 0.524 -20.190 24.107 1.00 63.25 ATOM 487 HD22 LEU 29 1.225 -20.766 22.595 1.00 63.13 ATOM 488 HD23 LEU 29 0.695 -19.091 22.740 1.00 23.45 ATOM 489 C LEU 29 3.078 -22.340 26.441 1.00 14.31 ATOM 490 O LEU 29 3.913 -22.093 27.317 1.00 22.23 ATOM 491 N THR 30 2.766 -23.587 26.084 1.00 71.34 ATOM 492 HN THR 30 2.087 -23.731 25.388 1.00 39.32 ATOM 493 CA THR 30 3.401 -24.750 26.726 1.00 35.52 ATOM 494 HA THR 30 3.258 -24.646 27.793 1.00 71.14 ATOM 495 CB THR 30 2.748 -26.089 26.292 1.00 3.03 ATOM 496 HB THR 30 1.692 -26.046 26.520 1.00 13.02 ATOM 497 OG1 THR 30 3.336 -27.179 27.017 1.00 52.31 ATOM 498 HG1 THR 30 2.687 -27.888 27.119 1.00 55.42 ATOM 499 CG2 THR 30 2.911 -26.337 24.798 1.00 2.22 ATOM 500 HG21 THR 30 2.477 -27.293 24.543 1.00 64.44 ATOM 501 HG22 THR 30 3.962 -26.341 24.544 1.00 40.52 ATOM 502 HG23 THR 30 2.408 -25.557 24.245 1.00 33.43 ATOM 503 C THR 30 4.916 -24.812 26.450 1.00 73.12 ATOM 504 O THR 30 5.465 -23.991 25.709 1.00 34.44 ATOM 505 N ARG 31 5.581 -25.798 27.046 1.00 64.22 ATOM 506 HN ARG 31 5.074 -26.465 27.560 1.00 39.32 ATOM 507 CA ARG 31 7.040 -25.927 26.960 1.00 72.12 ATOM 508 HA ARG 31 7.469 -24.980 27.258 1.00 23.14 ATOM 509 CB ARG 31 7.517 -27.013 27.938 1.00 43.42 ATOM 510 HB1 ARG 31 8.598 -27.007 27.967 1.00 39.32 ATOM 511 HB2 ARG 31 7.179 -27.977 27.581 1.00 44.20 ATOM 512 CG ARG 31 6.994 -26.817 29.365 1.00 64.22 ATOM 513 HG1 ARG 31 5.912 -26.842 29.346 1.00 39.32 ATOM 514 HG2 ARG 31 7.322 -25.854 29.726 1.00 63.31 ATOM 515 CD ARG 31 7.496 -27.893 30.324 1.00 32.13 ATOM 516 HD1 ARG 31 7.312 -28.865 29.885 1.00 39.32 ATOM 517 HD2 ARG 31 6.948 -27.811 31.253 1.00 14.44 ATOM 518 NE ARG 31 8.923 -27.763 30.610 1.00 34.41 ATOM 519 HE ARG 31 9.396 -26.998 30.219 1.00 24.21 ATOM 520 CZ ARG 31 9.597 -28.583 31.371 1.00 53.43 ATOM 521 NH1 ARG 31 9.022 -29.613 31.911 1.00 23.20 ATOM 522 HH11 ARG 31 8.057 -29.786 31.743 1.00 1.21 ATOM 523 HH12 ARG 31 9.548 -30.223 32.499 1.00 22.43 ATOM 524 NH2 ARG 31 10.854 -28.375 31.588 1.00 25.54 ATOM 525 HH21 ARG 31 11.310 -27.589 31.170 1.00 54.21 ATOM 526 HH22 ARG 31 11.364 -28.996 32.178 1.00 51.22 ATOM 527 C ARG 31 7.506 -26.244 25.525 1.00 5.32 ATOM 528 O ARG 31 8.546 -25.753 25.077 1.00 31.13 ATOM 529 N GLY 32 6.734 -27.058 24.805 1.00 73.01 ATOM 530 HN GLY 32 5.937 -27.453 25.222 1.00 39.32 ATOM 531 CA GLY 32 7.071 -27.387 23.418 1.00 60.22 ATOM 532 HA1 GLY 32 7.431 -28.406 23.382 1.00 39.32 ATOM 533 HA2 GLY 32 7.861 -26.731 23.082 1.00 31.42 ATOM 534 C GLY 32 5.886 -27.252 22.460 1.00 24.12 ATOM 535 O GLY 32 5.437 -28.239 21.871 1.00 35.23 ATOM 536 N ILE 33 5.387 -26.028 22.284 1.00 10.31 ATOM 537 HN ILE 33 5.810 -25.272 22.742 1.00 39.32 ATOM 538 CA ILE 33 4.224 -25.783 21.417 1.00 24.14 ATOM 539 HA ILE 33 3.546 -26.618 21.543 1.00 34.14 ATOM 540 CB ILE 33 3.465 -24.491 21.835 1.00 34.05 ATOM 541 HB ILE 33 3.131 -24.621 22.855 1.00 12.43 ATOM 542 CG1 ILE 33 2.231 -24.271 20.938 1.00 35.42 ATOM 543 HG11 ILE 33 1.603 -25.150 20.971 1.00 39.32 ATOM 544 HG12 ILE 33 2.557 -24.109 19.921 1.00 71.23 ATOM 545 CG2 ILE 33 4.391 -23.273 21.804 1.00 43.42 ATOM 546 HG21 ILE 33 3.849 -22.399 22.134 1.00 13.13 ATOM 547 HG22 ILE 33 4.749 -23.114 20.796 1.00 4.35 ATOM 548 HG23 ILE 33 5.232 -23.444 22.461 1.00 4.22 ATOM 549 CD1 ILE 33 1.381 -23.082 21.341 1.00 63.23 ATOM 550 HD11 ILE 33 1.046 -23.207 22.361 1.00 33.14 ATOM 551 HD12 ILE 33 0.523 -23.015 20.688 1.00 1.31 ATOM 552 HD13 ILE 33 1.964 -22.176 21.261 1.00 34.03 ATOM 553 C ILE 33 4.617 -25.696 19.929 1.00 33.44 ATOM 554 O ILE 33 5.510 -24.934 19.546 1.00 3.34 ATOM 555 N ASN 34 3.945 -26.491 19.094 1.00 72.45 ATOM 556 HN ASN 34 3.272 -27.102 19.460 1.00 39.32 ATOM 557 CA ASN 34 4.188 -26.489 17.645 1.00 63.45 ATOM 558 HA ASN 34 5.127 -25.981 17.466 1.00 25.43 ATOM 559 CB ASN 34 4.302 -27.935 17.125 1.00 41.24 ATOM 560 HB1 ASN 34 3.363 -28.444 17.295 1.00 39.32 ATOM 561 HB2 ASN 34 5.079 -28.445 17.671 1.00 64.15 ATOM 562 CG ASN 34 4.632 -28.021 15.637 1.00 65.13 ATOM 563 OD1 ASN 34 4.276 -27.153 14.853 1.00 42.10 ATOM 564 ND2 ASN 34 5.297 -29.083 15.232 1.00 62.34 ATOM 565 HD21 ASN 34 5.543 -29.757 15.895 1.00 12.13 ATOM 566 HD22 ASN 34 5.520 -29.150 14.281 1.00 34.41 ATOM 567 C ASN 34 3.074 -25.734 16.900 1.00 3.41 ATOM 568 O ASN 34 1.945 -26.221 16.781 1.00 23.11 ATOM 569 N LEU 35 3.400 -24.540 16.403 1.00 72.12 ATOM 570 HN LEU 35 4.301 -24.190 16.566 1.00 39.32 ATOM 571 CA LEU 35 2.455 -23.734 15.618 1.00 31.34 ATOM 572 HA LEU 35 1.453 -24.005 15.924 1.00 34.34 ATOM 573 CB LEU 35 2.666 -22.239 15.897 1.00 63.23 ATOM 574 HB1 LEU 35 2.041 -21.675 15.218 1.00 39.32 ATOM 575 HB2 LEU 35 3.700 -22.000 15.687 1.00 41.42 ATOM 576 CG LEU 35 2.348 -21.785 17.332 1.00 4.32 ATOM 577 HG LEU 35 2.982 -22.326 18.021 1.00 54.31 ATOM 578 CD1 LEU 35 2.637 -20.294 17.507 1.00 60.42 ATOM 579 HD11 LEU 35 3.680 -20.103 17.302 1.00 24.41 ATOM 580 HD12 LEU 35 2.412 -19.998 18.521 1.00 63.52 ATOM 581 HD13 LEU 35 2.026 -19.724 16.822 1.00 73.41 ATOM 582 CD2 LEU 35 0.893 -22.097 17.687 1.00 72.02 ATOM 583 HD21 LEU 35 0.233 -21.592 16.995 1.00 31.42 ATOM 584 HD22 LEU 35 0.686 -21.759 18.691 1.00 54.31 ATOM 585 HD23 LEU 35 0.728 -23.163 17.628 1.00 71.42 ATOM 586 C LEU 35 2.596 -24.013 14.113 1.00 32.33 ATOM 587 O LEU 35 1.668 -23.768 13.338 1.00 21.40 ATOM 588 N ARG 36 3.761 -24.526 13.709 1.00 52.31 ATOM 589 HN ARG 36 4.473 -24.666 14.372 1.00 39.32 ATOM 590 CA ARG 36 4.012 -24.897 12.307 1.00 35.43 ATOM 591 HA ARG 36 4.017 -23.990 11.719 1.00 70.02 ATOM 592 CB ARG 36 5.387 -25.581 12.192 1.00 71.11 ATOM 593 HB1 ARG 36 5.423 -26.399 12.898 1.00 39.32 ATOM 594 HB2 ARG 36 6.153 -24.864 12.456 1.00 2.12 ATOM 595 CG ARG 36 5.716 -26.136 10.804 1.00 12.03 ATOM 596 HG1 ARG 36 4.941 -26.832 10.516 1.00 39.32 ATOM 597 HG2 ARG 36 6.662 -26.656 10.853 1.00 2.41 ATOM 598 CD ARG 36 5.816 -25.041 9.749 1.00 65.01 ATOM 599 HD1 ARG 36 4.860 -24.539 9.676 1.00 39.32 ATOM 600 HD2 ARG 36 6.054 -25.495 8.797 1.00 34.22 ATOM 601 NE ARG 36 6.845 -24.059 10.075 1.00 44.33 ATOM 602 HE ARG 36 7.386 -24.218 10.872 1.00 54.44 ATOM 603 CZ ARG 36 7.078 -22.982 9.379 1.00 13.41 ATOM 604 NH1 ARG 36 6.431 -22.753 8.285 1.00 13.04 ATOM 605 HH11 ARG 36 5.750 -23.402 7.964 1.00 0.15 ATOM 606 HH12 ARG 36 6.622 -21.929 7.758 1.00 34.33 ATOM 607 NH2 ARG 36 7.979 -22.149 9.769 1.00 52.53 ATOM 608 HH21 ARG 36 8.497 -22.332 10.600 1.00 42.13 ATOM 609 HH22 ARG 36 8.141 -21.312 9.248 1.00 60.03 ATOM 610 C ARG 36 2.912 -25.831 11.781 1.00 70.24 ATOM 611 O ARG 36 2.284 -25.558 10.759 1.00 43.43 ATOM 612 N LYS 37 2.671 -26.913 12.518 1.00 52.33 ATOM 613 HN LYS 37 3.210 -27.060 13.324 1.00 39.32 ATOM 614 CA LYS 37 1.647 -27.902 12.164 1.00 60.33 ATOM 615 HA LYS 37 1.926 -28.341 11.216 1.00 23.24 ATOM 616 CB LYS 37 1.626 -29.010 13.246 1.00 52.11 ATOM 617 HB1 LYS 37 1.163 -28.611 14.138 1.00 39.32 ATOM 618 HB2 LYS 37 2.648 -29.273 13.482 1.00 45.22 ATOM 619 CG LYS 37 0.890 -30.299 12.859 1.00 44.11 ATOM 620 HG1 LYS 37 1.213 -31.093 13.519 1.00 39.32 ATOM 621 HG2 LYS 37 1.151 -30.555 11.844 1.00 62.30 ATOM 622 CD LYS 37 -0.631 -30.171 12.953 1.00 62.24 ATOM 623 HD1 LYS 37 -1.085 -31.028 12.475 1.00 39.32 ATOM 624 HD2 LYS 37 -0.932 -29.273 12.442 1.00 22.21 ATOM 625 CE LYS 37 -1.128 -30.091 14.393 1.00 33.53 ATOM 626 HE1 LYS 37 -2.193 -29.906 14.383 1.00 39.32 ATOM 627 HE2 LYS 37 -0.629 -29.272 14.890 1.00 14.15 ATOM 628 NZ LYS 37 -0.864 -31.344 15.149 1.00 22.13 ATOM 629 HZ1 LYS 37 0.159 -31.495 15.262 1.00 53.41 ATOM 630 HZ2 LYS 37 -1.268 -32.158 14.644 1.00 64.14 ATOM 631 HZ3 LYS 37 -1.302 -31.291 16.093 1.00 24.23 ATOM 632 C LYS 37 0.261 -27.238 12.017 1.00 23.13 ATOM 633 O LYS 37 -0.537 -27.621 11.164 1.00 2.10 ATOM 634 N ILE 38 -0.003 -26.225 12.842 1.00 4.42 ATOM 635 HN ILE 38 0.701 -25.911 13.444 1.00 39.32 ATOM 636 CA ILE 38 -1.307 -25.549 12.858 1.00 72.31 ATOM 637 HA ILE 38 -2.073 -26.309 12.951 1.00 64.44 ATOM 638 CB ILE 38 -1.425 -24.592 14.072 1.00 31.21 ATOM 639 HB ILE 38 -0.685 -23.812 13.960 1.00 75.33 ATOM 640 CG1 ILE 38 -1.158 -25.350 15.382 1.00 42.00 ATOM 641 HG11 ILE 38 -1.243 -24.664 16.213 1.00 39.32 ATOM 642 HG12 ILE 38 -0.158 -25.755 15.361 1.00 13.33 ATOM 643 CG2 ILE 38 -2.804 -23.931 14.108 1.00 53.15 ATOM 644 HG21 ILE 38 -2.964 -23.375 13.195 1.00 10.31 ATOM 645 HG22 ILE 38 -2.859 -23.257 14.951 1.00 14.34 ATOM 646 HG23 ILE 38 -3.568 -24.690 14.205 1.00 25.43 ATOM 647 CD1 ILE 38 -2.115 -26.498 15.630 1.00 73.10 ATOM 648 HD11 ILE 38 -3.131 -26.129 15.629 1.00 10.11 ATOM 649 HD12 ILE 38 -1.899 -26.947 16.587 1.00 53.03 ATOM 650 HD13 ILE 38 -2.002 -27.238 14.852 1.00 74.51 ATOM 651 C ILE 38 -1.554 -24.755 11.565 1.00 63.43 ATOM 652 O ILE 38 -2.581 -24.928 10.906 1.00 60.25 ATOM 653 N ALA 39 -0.605 -23.890 11.205 1.00 4.25 ATOM 654 HN ALA 39 0.199 -23.805 11.763 1.00 39.32 ATOM 655 CA ALA 39 -0.733 -23.061 9.997 1.00 4.02 ATOM 656 HA ALA 39 -1.627 -22.458 10.106 1.00 10.54 ATOM 657 CB ALA 39 0.458 -22.116 9.871 1.00 13.03 ATOM 658 HB1 ALA 39 1.362 -22.689 9.720 1.00 22.21 ATOM 659 HB2 ALA 39 0.551 -21.531 10.774 1.00 32.44 ATOM 660 HB3 ALA 39 0.307 -21.455 9.030 1.00 42.33 ATOM 661 C ALA 39 -0.869 -23.918 8.729 1.00 11.24 ATOM 662 O ALA 39 -1.572 -23.545 7.788 1.00 44.12 ATOM 663 N GLU 40 -0.201 -25.069 8.723 1.00 75.12 ATOM 664 HN GLU 40 0.350 -25.303 9.501 1.00 39.32 ATOM 665 CA GLU 40 -0.255 -25.999 7.587 1.00 64.11 ATOM 666 HA GLU 40 0.002 -25.445 6.695 1.00 25.11 ATOM 667 CB GLU 40 0.770 -27.128 7.781 1.00 52.44 ATOM 668 HB1 GLU 40 0.687 -27.822 6.956 1.00 39.32 ATOM 669 HB2 GLU 40 0.545 -27.651 8.701 1.00 42.43 ATOM 670 CG GLU 40 2.215 -26.642 7.851 1.00 3.12 ATOM 671 HG1 GLU 40 2.315 -25.968 8.692 1.00 39.32 ATOM 672 HG2 GLU 40 2.446 -26.108 6.939 1.00 3.03 ATOM 673 CD GLU 40 3.215 -27.781 8.014 1.00 34.31 ATOM 674 OE1 GLU 40 3.569 -28.121 9.163 1.00 20.31 ATOM 675 OE2 GLU 40 3.655 -28.341 6.988 1.00 1.32 ATOM 676 C GLU 40 -1.664 -26.595 7.406 1.00 2.41 ATOM 677 O GLU 40 -2.026 -27.043 6.316 1.00 2.20 ATOM 678 N LEU 41 -2.457 -26.592 8.477 1.00 43.00 ATOM 679 HN LEU 41 -2.117 -26.218 9.318 1.00 39.32 ATOM 680 CA LEU 41 -3.819 -27.138 8.436 1.00 52.40 ATOM 681 HA LEU 41 -3.802 -28.021 7.813 1.00 74.41 ATOM 682 CB LEU 41 -4.275 -27.540 9.847 1.00 1.12 ATOM 683 HB1 LEU 41 -5.294 -27.894 9.784 1.00 39.32 ATOM 684 HB2 LEU 41 -4.260 -26.654 10.470 1.00 52.32 ATOM 685 CG LEU 41 -3.431 -28.626 10.537 1.00 63.21 ATOM 686 HG LEU 41 -2.410 -28.277 10.620 1.00 12.21 ATOM 687 CD1 LEU 41 -3.949 -28.891 11.949 1.00 20.13 ATOM 688 HD11 LEU 41 -3.321 -29.625 12.432 1.00 43.21 ATOM 689 HD12 LEU 41 -4.962 -29.263 11.899 1.00 30.54 ATOM 690 HD13 LEU 41 -3.931 -27.973 12.519 1.00 4.44 ATOM 691 CD2 LEU 41 -3.422 -29.914 9.713 1.00 72.25 ATOM 692 HD21 LEU 41 -4.432 -30.290 9.617 1.00 31.31 ATOM 693 HD22 LEU 41 -2.809 -30.655 10.206 1.00 12.12 ATOM 694 HD23 LEU 41 -3.020 -29.714 8.730 1.00 42.22 ATOM 695 C LEU 41 -4.826 -26.140 7.841 1.00 54.35 ATOM 696 O LEU 41 -5.964 -26.509 7.545 1.00 41.21 ATOM 697 N MET 42 -4.409 -24.885 7.657 1.00 51.55 ATOM 698 HN MET 42 -3.468 -24.666 7.830 1.00 39.32 ATOM 699 CA MET 42 -5.321 -23.824 7.196 1.00 1.32 ATOM 700 HA MET 42 -6.329 -24.212 7.239 1.00 25.54 ATOM 701 CB MET 42 -5.227 -22.605 8.126 1.00 41.42 ATOM 702 HB1 MET 42 -5.959 -21.873 7.812 1.00 39.32 ATOM 703 HB2 MET 42 -4.240 -22.172 8.034 1.00 75.24 ATOM 704 CG MET 42 -5.470 -22.921 9.596 1.00 12.52 ATOM 705 HG1 MET 42 -4.707 -23.608 9.935 1.00 39.32 ATOM 706 HG2 MET 42 -6.440 -23.386 9.697 1.00 10.13 ATOM 707 SD MET 42 -5.426 -21.445 10.636 1.00 63.23 ATOM 708 CE MET 42 -6.847 -20.550 10.014 1.00 35.33 ATOM 709 HE1 MET 42 -6.943 -19.615 10.545 1.00 25.54 ATOM 710 HE2 MET 42 -7.740 -21.142 10.160 1.00 53.31 ATOM 711 HE3 MET 42 -6.716 -20.353 8.960 1.00 45.42 ATOM 712 C MET 42 -5.029 -23.380 5.749 1.00 31.25 ATOM 713 O MET 42 -4.240 -22.460 5.524 1.00 60.32 ATOM 714 N PRO 43 -5.658 -24.028 4.746 1.00 11.42 ATOM 715 CA PRO 43 -5.531 -23.627 3.339 1.00 2.14 ATOM 716 HA PRO 43 -4.527 -23.297 3.108 1.00 45.51 ATOM 717 CB PRO 43 -5.827 -24.936 2.602 1.00 53.11 ATOM 718 HB1 PRO 43 -4.919 -25.513 2.504 1.00 39.32 ATOM 719 HB2 PRO 43 -6.232 -24.723 1.621 1.00 23.43 ATOM 720 CG PRO 43 -6.824 -25.634 3.470 1.00 72.24 ATOM 721 HG1 PRO 43 -6.721 -26.704 3.360 1.00 39.32 ATOM 722 HG2 PRO 43 -7.825 -25.327 3.198 1.00 60.21 ATOM 723 CD PRO 43 -6.519 -25.221 4.893 1.00 52.11 ATOM 724 HD1 PRO 43 -5.992 -26.012 5.408 1.00 39.32 ATOM 725 HD2 PRO 43 -7.431 -24.976 5.418 1.00 23.43 ATOM 726 C PRO 43 -6.539 -22.531 2.936 1.00 53.22 ATOM 727 O PRO 43 -7.718 -22.590 3.296 1.00 70.13 ATOM 728 N GLY 44 -6.072 -21.529 2.190 1.00 22.12 ATOM 729 HN GLY 44 -5.126 -21.532 1.927 1.00 39.32 ATOM 730 CA GLY 44 -6.950 -20.453 1.727 1.00 72.34 ATOM 731 HA1 GLY 44 -7.877 -20.889 1.382 1.00 39.32 ATOM 732 HA2 GLY 44 -6.475 -19.959 0.892 1.00 20.31 ATOM 733 C GLY 44 -7.272 -19.401 2.797 1.00 45.25 ATOM 734 O GLY 44 -7.075 -18.203 2.569 1.00 51.13 ATOM 735 N ALA 45 -7.753 -19.865 3.959 1.00 31.43 ATOM 736 HN ALA 45 -7.805 -20.835 4.082 1.00 39.32 ATOM 737 CA ALA 45 -8.219 -18.996 5.062 1.00 43.11 ATOM 738 HA ALA 45 -9.203 -18.634 4.797 1.00 75.43 ATOM 739 CB ALA 45 -8.361 -19.822 6.335 1.00 1.25 ATOM 740 HB1 ALA 45 -7.390 -20.198 6.630 1.00 55.13 ATOM 741 HB2 ALA 45 -9.028 -20.651 6.153 1.00 33.54 ATOM 742 HB3 ALA 45 -8.763 -19.204 7.126 1.00 20.32 ATOM 743 C ALA 45 -7.306 -17.785 5.328 1.00 35.13 ATOM 744 O ALA 45 -6.077 -17.897 5.295 1.00 10.01 ATOM 745 N SER 46 -7.924 -16.638 5.620 1.00 31.53 ATOM 746 HN SER 46 -8.905 -16.634 5.682 1.00 39.32 ATOM 747 CA SER 46 -7.193 -15.382 5.857 1.00 21.35 ATOM 748 HA SER 46 -6.267 -15.428 5.301 1.00 23.31 ATOM 749 CB SER 46 -8.010 -14.180 5.354 1.00 43.41 ATOM 750 HB1 SER 46 -8.297 -14.349 4.325 1.00 39.32 ATOM 751 HB2 SER 46 -7.405 -13.288 5.411 1.00 22.55 ATOM 752 OG SER 46 -9.188 -13.978 6.129 1.00 32.15 ATOM 753 HG SER 46 -9.678 -14.808 6.202 1.00 42.22 ATOM 754 C SER 46 -6.861 -15.185 7.346 1.00 31.34 ATOM 755 O SER 46 -7.162 -16.040 8.187 1.00 52.30 ATOM 756 N GLY 47 -6.249 -14.042 7.663 1.00 20.14 ATOM 757 HN GLY 47 -6.082 -13.381 6.958 1.00 39.32 ATOM 758 CA GLY 47 -5.837 -13.746 9.033 1.00 34.22 ATOM 759 HA1 GLY 47 -5.289 -12.815 9.030 1.00 39.32 ATOM 760 HA2 GLY 47 -5.180 -14.532 9.377 1.00 72.44 ATOM 761 C GLY 47 -7.001 -13.621 10.012 1.00 70.43 ATOM 762 O GLY 47 -6.853 -13.919 11.197 1.00 62.54 ATOM 763 N ALA 48 -8.156 -13.174 9.523 1.00 20.23 ATOM 764 HN ALA 48 -8.200 -12.899 8.580 1.00 39.32 ATOM 765 CA ALA 48 -9.358 -13.061 10.360 1.00 41.02 ATOM 766 HA ALA 48 -9.139 -12.362 11.158 1.00 54.23 ATOM 767 CB ALA 48 -10.519 -12.499 9.545 1.00 62.15 ATOM 768 HB1 ALA 48 -10.238 -11.543 9.127 1.00 71.55 ATOM 769 HB2 ALA 48 -11.382 -12.371 10.184 1.00 22.11 ATOM 770 HB3 ALA 48 -10.763 -13.183 8.745 1.00 61.35 ATOM 771 C ALA 48 -9.737 -14.416 10.980 1.00 73.44 ATOM 772 O ALA 48 -9.980 -14.518 12.188 1.00 12.21 ATOM 773 N GLU 49 -9.761 -15.459 10.147 1.00 51.03 ATOM 774 HN GLU 49 -9.621 -15.304 9.190 1.00 39.32 ATOM 775 CA GLU 49 -10.013 -16.825 10.622 1.00 11.44 ATOM 776 HA GLU 49 -10.954 -16.819 11.153 1.00 52.14 ATOM 777 CB GLU 49 -10.112 -17.814 9.443 1.00 40.44 ATOM 778 HB1 GLU 49 -10.145 -18.821 9.838 1.00 39.32 ATOM 779 HB2 GLU 49 -9.227 -17.713 8.830 1.00 54.53 ATOM 780 CG GLU 49 -11.336 -17.618 8.546 1.00 31.12 ATOM 781 HG1 GLU 49 -12.214 -17.558 9.175 1.00 39.32 ATOM 782 HG2 GLU 49 -11.427 -18.475 7.895 1.00 70.31 ATOM 783 CD GLU 49 -11.268 -16.364 7.685 1.00 43.52 ATOM 784 OE1 GLU 49 -11.786 -15.309 8.108 1.00 73.30 ATOM 785 OE2 GLU 49 -10.703 -16.431 6.573 1.00 52.13 ATOM 786 C GLU 49 -8.909 -17.278 11.590 1.00 34.04 ATOM 787 O GLU 49 -9.176 -17.964 12.579 1.00 61.35 ATOM 788 N VAL 50 -7.670 -16.885 11.299 1.00 51.24 ATOM 789 HN VAL 50 -7.516 -16.366 10.478 1.00 39.32 ATOM 790 CA VAL 50 -6.529 -17.208 12.165 1.00 51.13 ATOM 791 HA VAL 50 -6.483 -18.286 12.257 1.00 20.15 ATOM 792 CB VAL 50 -5.196 -16.721 11.549 1.00 24.24 ATOM 793 HB VAL 50 -5.257 -15.649 11.414 1.00 2.33 ATOM 794 CG1 VAL 50 -4.028 -17.016 12.484 1.00 3.11 ATOM 795 HG11 VAL 50 -3.981 -18.078 12.680 1.00 11.13 ATOM 796 HG12 VAL 50 -4.166 -16.485 13.415 1.00 73.41 ATOM 797 HG13 VAL 50 -3.106 -16.696 12.021 1.00 13.24 ATOM 798 CG2 VAL 50 -4.963 -17.360 10.180 1.00 73.05 ATOM 799 HG21 VAL 50 -5.788 -17.122 9.523 1.00 64.23 ATOM 800 HG22 VAL 50 -4.889 -18.433 10.288 1.00 22.35 ATOM 801 HG23 VAL 50 -4.046 -16.978 9.756 1.00 53.42 ATOM 802 C VAL 50 -6.690 -16.601 13.571 1.00 74.42 ATOM 803 O VAL 50 -6.394 -17.250 14.580 1.00 63.45 ATOM 804 N LYS 51 -7.160 -15.354 13.632 1.00 31.12 ATOM 805 HN LYS 51 -7.324 -14.864 12.797 1.00 39.32 ATOM 806 CA LYS 51 -7.439 -14.698 14.915 1.00 71.14 ATOM 807 HA LYS 51 -6.527 -14.708 15.499 1.00 73.51 ATOM 808 CB LYS 51 -7.884 -13.237 14.689 1.00 51.10 ATOM 809 HB1 LYS 51 -8.958 -13.215 14.560 1.00 39.32 ATOM 810 HB2 LYS 51 -7.423 -12.874 13.781 1.00 51.14 ATOM 811 CG LYS 51 -7.514 -12.269 15.822 1.00 52.01 ATOM 812 HG1 LYS 51 -7.775 -11.263 15.516 1.00 39.32 ATOM 813 HG2 LYS 51 -6.449 -12.322 15.984 1.00 71.21 ATOM 814 CD LYS 51 -8.223 -12.580 17.144 1.00 62.21 ATOM 815 HD1 LYS 51 -7.834 -11.924 17.911 1.00 39.32 ATOM 816 HD2 LYS 51 -8.022 -13.606 17.417 1.00 10.00 ATOM 817 CE LYS 51 -9.733 -12.386 17.051 1.00 71.22 ATOM 818 HE1 LYS 51 -10.123 -13.036 16.281 1.00 39.32 ATOM 819 HE2 LYS 51 -9.936 -11.358 16.789 1.00 43.22 ATOM 820 NZ LYS 51 -10.414 -12.697 18.337 1.00 64.25 ATOM 821 HZ1 LYS 51 -10.258 -13.691 18.597 1.00 50.43 ATOM 822 HZ2 LYS 51 -11.439 -12.534 18.250 1.00 1.32 ATOM 823 HZ3 LYS 51 -10.046 -12.091 19.096 1.00 54.12 ATOM 824 C LYS 51 -8.523 -15.487 15.668 1.00 34.32 ATOM 825 O LYS 51 -8.439 -15.681 16.885 1.00 53.25 ATOM 826 N GLY 52 -9.534 -15.950 14.926 1.00 31.45 ATOM 827 HN GLY 52 -9.582 -15.703 13.975 1.00 39.32 ATOM 828 CA GLY 52 -10.566 -16.805 15.502 1.00 22.02 ATOM 829 HA1 GLY 52 -11.257 -17.090 14.723 1.00 39.32 ATOM 830 HA2 GLY 52 -11.100 -16.246 16.258 1.00 54.52 ATOM 831 C GLY 52 -9.991 -18.069 16.133 1.00 54.02 ATOM 832 O GLY 52 -10.369 -18.443 17.241 1.00 73.04 ATOM 833 N VAL 53 -9.061 -18.717 15.427 1.00 20.13 ATOM 834 HN VAL 53 -8.827 -18.385 14.533 1.00 39.32 ATOM 835 CA VAL 53 -8.375 -19.906 15.944 1.00 12.03 ATOM 836 HA VAL 53 -9.118 -20.675 16.106 1.00 62.24 ATOM 837 CB VAL 53 -7.334 -20.440 14.924 1.00 21.12 ATOM 838 HB VAL 53 -6.637 -19.642 14.706 1.00 22.25 ATOM 839 CG1 VAL 53 -6.541 -21.614 15.503 1.00 61.44 ATOM 840 HG11 VAL 53 -5.825 -21.963 14.772 1.00 73.52 ATOM 841 HG12 VAL 53 -7.217 -22.418 15.754 1.00 13.33 ATOM 842 HG13 VAL 53 -6.018 -21.295 16.394 1.00 64.45 ATOM 843 CG2 VAL 53 -8.017 -20.842 13.619 1.00 73.33 ATOM 844 HG21 VAL 53 -8.719 -21.642 13.809 1.00 10.41 ATOM 845 HG22 VAL 53 -7.274 -21.178 12.909 1.00 12.41 ATOM 846 HG23 VAL 53 -8.545 -19.992 13.209 1.00 61.24 ATOM 847 C VAL 53 -7.670 -19.610 17.281 1.00 62.15 ATOM 848 O VAL 53 -7.760 -20.391 18.230 1.00 55.25 ATOM 849 N CYS 54 -6.983 -18.467 17.347 1.00 5.32 ATOM 850 HN CYS 54 -6.942 -17.893 16.552 1.00 39.32 ATOM 851 CA CYS 54 -6.282 -18.045 18.572 1.00 74.31 ATOM 852 HA CYS 54 -5.554 -18.807 18.812 1.00 54.42 ATOM 853 CB CYS 54 -5.550 -16.715 18.338 1.00 32.45 ATOM 854 HB1 CYS 54 -5.032 -16.431 19.243 1.00 39.32 ATOM 855 HB2 CYS 54 -6.273 -15.951 18.090 1.00 32.01 ATOM 856 SG CYS 54 -4.332 -16.764 17.000 1.00 24.14 ATOM 857 HG CYS 54 -4.851 -17.461 15.997 1.00 23.32 ATOM 858 C CYS 54 -7.254 -17.904 19.754 1.00 21.13 ATOM 859 O CYS 54 -6.955 -18.322 20.873 1.00 30.11 ATOM 860 N THR 55 -8.418 -17.310 19.494 1.00 10.01 ATOM 861 HN THR 55 -8.582 -16.964 18.590 1.00 39.32 ATOM 862 CA THR 55 -9.462 -17.155 20.518 1.00 10.14 ATOM 863 HA THR 55 -9.011 -16.690 21.385 1.00 65.20 ATOM 864 CB THR 55 -10.611 -16.239 20.020 1.00 1.40 ATOM 865 HB THR 55 -10.989 -16.639 19.089 1.00 3.45 ATOM 866 OG1 THR 55 -10.118 -14.909 19.784 1.00 1.53 ATOM 867 HG1 THR 55 -10.143 -14.410 20.613 1.00 30.22 ATOM 868 CG2 THR 55 -11.760 -16.187 21.028 1.00 35.13 ATOM 869 HG21 THR 55 -12.166 -17.180 21.165 1.00 35.21 ATOM 870 HG22 THR 55 -12.535 -15.530 20.660 1.00 22.23 ATOM 871 HG23 THR 55 -11.392 -15.816 21.973 1.00 64.01 ATOM 872 C THR 55 -10.056 -18.509 20.934 1.00 71.44 ATOM 873 O THR 55 -10.151 -18.825 22.124 1.00 53.42 ATOM 874 N GLU 56 -10.450 -19.305 19.944 1.00 0.21 ATOM 875 HN GLU 56 -10.324 -19.008 19.018 1.00 39.32 ATOM 876 CA GLU 56 -11.068 -20.613 20.193 1.00 62.31 ATOM 877 HA GLU 56 -11.941 -20.445 20.807 1.00 62.45 ATOM 878 CB GLU 56 -11.518 -21.247 18.867 1.00 1.34 ATOM 879 HB1 GLU 56 -11.899 -22.240 19.065 1.00 39.32 ATOM 880 HB2 GLU 56 -10.660 -21.327 18.212 1.00 34.32 ATOM 881 CG GLU 56 -12.605 -20.451 18.137 1.00 23.04 ATOM 882 HG1 GLU 56 -12.663 -20.807 17.117 1.00 39.32 ATOM 883 HG2 GLU 56 -12.324 -19.407 18.131 1.00 33.02 ATOM 884 CD GLU 56 -13.986 -20.571 18.777 1.00 3.43 ATOM 885 OE1 GLU 56 -14.101 -20.470 20.016 1.00 62.43 ATOM 886 OE2 GLU 56 -14.971 -20.771 18.038 1.00 0.44 ATOM 887 C GLU 56 -10.122 -21.558 20.950 1.00 42.45 ATOM 888 O GLU 56 -10.569 -22.362 21.772 1.00 63.01 ATOM 889 N ALA 57 -8.820 -21.447 20.680 1.00 11.33 ATOM 890 HN ALA 57 -8.530 -20.823 19.980 1.00 39.32 ATOM 891 CA ALA 57 -7.810 -22.239 21.395 1.00 34.11 ATOM 892 HA ALA 57 -7.999 -23.285 21.189 1.00 52.20 ATOM 893 CB ALA 57 -6.414 -21.898 20.881 1.00 63.41 ATOM 894 HB1 ALA 57 -6.377 -22.047 19.812 1.00 44.11 ATOM 895 HB2 ALA 57 -5.685 -22.539 21.357 1.00 21.40 ATOM 896 HB3 ALA 57 -6.186 -20.866 21.109 1.00 62.30 ATOM 897 C ALA 57 -7.893 -22.009 22.913 1.00 73.53 ATOM 898 O ALA 57 -7.907 -22.958 23.699 1.00 50.44 ATOM 899 N GLY 58 -7.972 -20.739 23.317 1.00 50.04 ATOM 900 HN GLY 58 -7.917 -20.019 22.651 1.00 39.32 ATOM 901 CA GLY 58 -8.131 -20.410 24.730 1.00 45.42 ATOM 902 HA1 GLY 58 -8.141 -19.337 24.839 1.00 39.32 ATOM 903 HA2 GLY 58 -7.288 -20.809 25.279 1.00 34.15 ATOM 904 C GLY 58 -9.421 -20.977 25.323 1.00 35.11 ATOM 905 O GLY 58 -9.459 -21.376 26.487 1.00 2.12 ATOM 906 N MET 59 -10.480 -21.016 24.512 1.00 10.45 ATOM 907 HN MET 59 -10.398 -20.639 23.610 1.00 39.32 ATOM 908 CA MET 59 -11.756 -21.612 24.923 1.00 61.35 ATOM 909 HA MET 59 -12.086 -21.109 25.822 1.00 44.44 ATOM 910 CB MET 59 -12.808 -21.413 23.820 1.00 15.12 ATOM 911 HB1 MET 59 -13.753 -21.809 24.167 1.00 39.32 ATOM 912 HB2 MET 59 -12.501 -21.970 22.944 1.00 14.51 ATOM 913 CG MET 59 -13.027 -19.956 23.405 1.00 13.31 ATOM 914 HG1 MET 59 -13.285 -19.932 22.354 1.00 39.32 ATOM 915 HG2 MET 59 -12.106 -19.410 23.552 1.00 62.41 ATOM 916 SD MET 59 -14.339 -19.121 24.336 1.00 54.45 ATOM 917 CE MET 59 -13.653 -19.053 25.991 1.00 21.34 ATOM 918 HE1 MET 59 -12.717 -18.514 25.972 1.00 25.44 ATOM 919 HE2 MET 59 -13.483 -20.056 26.356 1.00 63.55 ATOM 920 HE3 MET 59 -14.346 -18.545 26.645 1.00 73.44 ATOM 921 C MET 59 -11.580 -23.112 25.226 1.00 21.20 ATOM 922 O MET 59 -12.082 -23.620 26.233 1.00 10.23 ATOM 923 N TYR 60 -10.846 -23.807 24.350 1.00 0.40 ATOM 924 HN TYR 60 -10.495 -23.351 23.555 1.00 39.32 ATOM 925 CA TYR 60 -10.537 -25.232 24.549 1.00 51.23 ATOM 926 HA TYR 60 -11.476 -25.748 24.690 1.00 55.20 ATOM 927 CB TYR 60 -9.833 -25.821 23.316 1.00 12.43 ATOM 928 HB1 TYR 60 -9.360 -26.755 23.589 1.00 39.32 ATOM 929 HB2 TYR 60 -9.073 -25.130 22.979 1.00 22.24 ATOM 930 CG TYR 60 -10.762 -26.097 22.148 1.00 73.33 ATOM 931 CD1 TYR 60 -10.775 -25.279 21.025 1.00 63.04 ATOM 932 HD1 TYR 60 -10.110 -24.428 20.987 1.00 3.02 ATOM 933 CD2 TYR 60 -11.628 -27.186 22.173 1.00 34.35 ATOM 934 HD2 TYR 60 -11.635 -27.832 23.040 1.00 62.04 ATOM 935 CE1 TYR 60 -11.618 -25.538 19.961 1.00 44.44 ATOM 936 HE1 TYR 60 -11.612 -24.891 19.097 1.00 31.53 ATOM 937 CE2 TYR 60 -12.473 -27.450 21.113 1.00 31.35 ATOM 938 HE2 TYR 60 -13.137 -28.300 21.153 1.00 73.53 ATOM 939 CZ TYR 60 -12.466 -26.625 20.011 1.00 24.31 ATOM 940 OH TYR 60 -13.301 -26.891 18.951 1.00 73.31 ATOM 941 HH TYR 60 -12.783 -26.909 18.135 1.00 35.12 ATOM 942 C TYR 60 -9.673 -25.451 25.799 1.00 22.11 ATOM 943 O TYR 60 -9.804 -26.466 26.489 1.00 23.34 ATOM 944 N ALA 61 -8.795 -24.501 26.087 1.00 34.44 ATOM 945 HN ALA 61 -8.671 -23.757 25.458 1.00 39.32 ATOM 946 CA ALA 61 -7.981 -24.554 27.301 1.00 54.33 ATOM 947 HA ALA 61 -7.482 -25.514 27.321 1.00 52.15 ATOM 948 CB ALA 61 -6.910 -23.468 27.261 1.00 21.21 ATOM 949 HB1 ALA 61 -6.276 -23.554 28.131 1.00 4.04 ATOM 950 HB2 ALA 61 -7.381 -22.495 27.253 1.00 42.45 ATOM 951 HB3 ALA 61 -6.312 -23.584 26.368 1.00 63.22 ATOM 952 C ALA 61 -8.846 -24.422 28.566 1.00 73.41 ATOM 953 O ALA 61 -8.742 -25.228 29.492 1.00 54.43 ATOM 954 N LEU 62 -9.720 -23.415 28.586 1.00 73.22 ATOM 955 HN LEU 62 -9.791 -22.838 27.794 1.00 39.32 ATOM 956 CA LEU 62 -10.567 -23.132 29.756 1.00 73.10 ATOM 957 HA LEU 62 -9.906 -22.904 30.580 1.00 71.54 ATOM 958 CB LEU 62 -11.446 -21.903 29.487 1.00 3.12 ATOM 959 HB1 LEU 62 -12.128 -21.783 30.317 1.00 39.32 ATOM 960 HB2 LEU 62 -12.025 -22.091 28.592 1.00 33.24 ATOM 961 CG LEU 62 -10.678 -20.581 29.298 1.00 64.44 ATOM 962 HG LEU 62 -10.020 -20.677 28.445 1.00 10.21 ATOM 963 CD1 LEU 62 -11.640 -19.432 29.014 1.00 2.43 ATOM 964 HD11 LEU 62 -12.307 -19.301 29.854 1.00 54.23 ATOM 965 HD12 LEU 62 -12.217 -19.657 28.130 1.00 11.22 ATOM 966 HD13 LEU 62 -11.079 -18.522 28.853 1.00 73.43 ATOM 967 CD2 LEU 62 -9.816 -20.275 30.522 1.00 61.35 ATOM 968 HD21 LEU 62 -10.439 -20.222 31.403 1.00 22.03 ATOM 969 HD22 LEU 62 -9.315 -19.329 30.380 1.00 64.33 ATOM 970 HD23 LEU 62 -9.078 -21.054 30.649 1.00 23.51 ATOM 971 C LEU 62 -11.441 -24.334 30.166 1.00 62.11 ATOM 972 O LEU 62 -11.556 -24.648 31.355 1.00 11.10 ATOM 973 N ARG 63 -12.051 -25.012 29.195 1.00 14.43 ATOM 974 HN ARG 63 -11.950 -24.714 28.263 1.00 39.32 ATOM 975 CA ARG 63 -12.882 -26.191 29.500 1.00 34.05 ATOM 976 HA ARG 63 -13.646 -25.862 30.193 1.00 54.02 ATOM 977 CB ARG 63 -13.576 -26.730 28.237 1.00 51.04 ATOM 978 HB1 ARG 63 -14.430 -26.105 28.018 1.00 39.32 ATOM 979 HB2 ARG 63 -13.923 -27.735 28.432 1.00 61.33 ATOM 980 CG ARG 63 -12.684 -26.763 27.005 1.00 30.22 ATOM 981 HG1 ARG 63 -11.705 -27.119 27.294 1.00 39.32 ATOM 982 HG2 ARG 63 -12.599 -25.762 26.608 1.00 62.41 ATOM 983 CD ARG 63 -13.235 -27.676 25.918 1.00 2.42 ATOM 984 HD1 ARG 63 -12.717 -27.471 24.992 1.00 39.32 ATOM 985 HD2 ARG 63 -14.290 -27.475 25.791 1.00 64.25 ATOM 986 NE ARG 63 -13.058 -29.082 26.265 1.00 30.54 ATOM 987 HE ARG 63 -13.760 -29.515 26.793 1.00 4.22 ATOM 988 CZ ARG 63 -12.013 -29.788 25.932 1.00 23.43 ATOM 989 NH1 ARG 63 -11.051 -29.261 25.244 1.00 44.14 ATOM 990 HH11 ARG 63 -11.101 -28.309 24.966 1.00 1.32 ATOM 991 HH12 ARG 63 -10.256 -29.814 24.997 1.00 15.11 ATOM 992 NH2 ARG 63 -11.928 -31.019 26.304 1.00 74.02 ATOM 993 HH21 ARG 63 -12.662 -31.424 26.847 1.00 13.13 ATOM 994 HH22 ARG 63 -11.125 -31.557 26.062 1.00 74.32 ATOM 995 C ARG 63 -12.069 -27.306 30.190 1.00 40.31 ATOM 996 O ARG 63 -12.594 -28.032 31.035 1.00 54.22 ATOM 997 N GLU 64 -10.787 -27.437 29.841 1.00 44.24 ATOM 998 HN GLU 64 -10.431 -26.884 29.112 1.00 39.32 ATOM 999 CA GLU 64 -9.896 -28.398 30.519 1.00 0.44 ATOM 1000 HA GLU 64 -10.522 -29.146 30.987 1.00 54.34 ATOM 1001 CB GLU 64 -8.965 -29.102 29.511 1.00 64.50 ATOM 1002 HB1 GLU 64 -8.173 -29.599 30.057 1.00 39.32 ATOM 1003 HB2 GLU 64 -8.524 -28.356 28.863 1.00 52.21 ATOM 1004 CG GLU 64 -9.665 -30.143 28.634 1.00 11.00 ATOM 1005 HG1 GLU 64 -10.256 -29.626 27.889 1.00 39.32 ATOM 1006 HG2 GLU 64 -10.320 -30.734 29.258 1.00 60.44 ATOM 1007 CD GLU 64 -8.695 -31.086 27.923 1.00 62.15 ATOM 1008 OE1 GLU 64 -8.981 -31.500 26.777 1.00 61.31 ATOM 1009 OE2 GLU 64 -7.650 -31.435 28.519 1.00 72.30 ATOM 1010 C GLU 64 -9.060 -27.718 31.624 1.00 63.11 ATOM 1011 O GLU 64 -8.106 -28.305 32.141 1.00 43.43 ATOM 1012 N ARG 65 -9.436 -26.485 31.985 1.00 74.54 ATOM 1013 HN ARG 65 -10.203 -26.080 31.528 1.00 39.32 ATOM 1014 CA ARG 65 -8.750 -25.704 33.035 1.00 34.00 ATOM 1015 HA ARG 65 -9.196 -24.720 33.036 1.00 33.23 ATOM 1016 CB ARG 65 -8.960 -26.333 34.429 1.00 13.00 ATOM 1017 HB1 ARG 65 -8.383 -25.771 35.152 1.00 39.32 ATOM 1018 HB2 ARG 65 -8.591 -27.349 34.410 1.00 11.05 ATOM 1019 CG ARG 65 -10.416 -26.360 34.901 1.00 41.53 ATOM 1020 HG1 ARG 65 -10.877 -25.411 34.663 1.00 39.32 ATOM 1021 HG2 ARG 65 -10.434 -26.508 35.971 1.00 31.31 ATOM 1022 CD ARG 65 -11.217 -27.478 34.240 1.00 75.31 ATOM 1023 HD1 ARG 65 -10.790 -28.429 34.530 1.00 39.32 ATOM 1024 HD2 ARG 65 -11.145 -27.369 33.168 1.00 62.40 ATOM 1025 NE ARG 65 -12.630 -27.451 34.618 1.00 42.11 ATOM 1026 HE ARG 65 -13.134 -26.638 34.420 1.00 45.13 ATOM 1027 CZ ARG 65 -13.267 -28.456 35.157 1.00 21.20 ATOM 1028 NH1 ARG 65 -12.631 -29.525 35.513 1.00 21.13 ATOM 1029 HH11 ARG 65 -11.644 -29.587 35.385 1.00 74.00 ATOM 1030 HH12 ARG 65 -13.130 -30.289 35.919 1.00 3.54 ATOM 1031 NH2 ARG 65 -14.538 -28.374 35.370 1.00 51.21 ATOM 1032 HH21 ARG 65 -15.032 -27.543 35.125 1.00 72.31 ATOM 1033 HH22 ARG 65 -15.026 -29.143 35.777 1.00 41.14 ATOM 1034 C ARG 65 -7.244 -25.542 32.749 1.00 72.24 ATOM 1035 O ARG 65 -6.451 -25.298 33.660 1.00 73.35 ATOM 1036 N ARG 66 -6.870 -25.652 31.478 1.00 73.53 ATOM 1037 HN ARG 66 -7.554 -25.819 30.800 1.00 39.32 ATOM 1038 CA ARG 66 -5.473 -25.514 31.054 1.00 65.43 ATOM 1039 HA ARG 66 -4.872 -26.178 31.659 1.00 44.44 ATOM 1040 CB ARG 66 -5.326 -25.915 29.576 1.00 23.42 ATOM 1041 HB1 ARG 66 -4.297 -25.763 29.276 1.00 39.32 ATOM 1042 HB2 ARG 66 -5.960 -25.274 28.980 1.00 52.35 ATOM 1043 CG ARG 66 -5.700 -27.363 29.274 1.00 55.45 ATOM 1044 HG1 ARG 66 -6.716 -27.539 29.603 1.00 39.32 ATOM 1045 HG2 ARG 66 -5.029 -28.019 29.811 1.00 54.01 ATOM 1046 CD ARG 66 -5.602 -27.669 27.780 1.00 31.30 ATOM 1047 HD1 ARG 66 -4.629 -27.356 27.424 1.00 39.32 ATOM 1048 HD2 ARG 66 -6.369 -27.111 27.261 1.00 30.32 ATOM 1049 NE ARG 66 -5.777 -29.093 27.497 1.00 23.31 ATOM 1050 HE ARG 66 -6.128 -29.657 28.214 1.00 2.22 ATOM 1051 CZ ARG 66 -5.466 -29.662 26.362 1.00 10.41 ATOM 1052 NH1 ARG 66 -5.078 -28.959 25.344 1.00 62.32 ATOM 1053 HH11 ARG 66 -5.023 -27.961 25.414 1.00 3.42 ATOM 1054 HH12 ARG 66 -4.841 -29.413 24.492 1.00 2.21 ATOM 1055 NH2 ARG 66 -5.584 -30.939 26.234 1.00 41.53 ATOM 1056 HH21 ARG 66 -5.921 -31.486 26.996 1.00 73.02 ATOM 1057 HH22 ARG 66 -5.327 -31.382 25.374 1.00 43.31 ATOM 1058 C ARG 66 -4.972 -24.074 31.239 1.00 42.13 ATOM 1059 O ARG 66 -5.512 -23.141 30.646 1.00 30.22 ATOM 1060 N VAL 67 -3.948 -23.895 32.070 1.00 33.13 ATOM 1061 HN VAL 67 -3.610 -24.660 32.585 1.00 39.32 ATOM 1062 CA VAL 67 -3.321 -22.582 32.234 1.00 0.52 ATOM 1063 HA VAL 67 -4.105 -21.834 32.188 1.00 4.04 ATOM 1064 CB VAL 67 -2.608 -22.451 33.603 1.00 63.52 ATOM 1065 HB VAL 67 -1.807 -23.178 33.639 1.00 50.22 ATOM 1066 CG1 VAL 67 -1.994 -21.061 33.772 1.00 4.34 ATOM 1067 HG11 VAL 67 -1.489 -21.002 34.725 1.00 51.22 ATOM 1068 HG12 VAL 67 -2.775 -20.314 33.733 1.00 24.11 ATOM 1069 HG13 VAL 67 -1.285 -20.879 32.977 1.00 22.33 ATOM 1070 CG2 VAL 67 -3.579 -22.756 34.744 1.00 55.31 ATOM 1071 HG21 VAL 67 -4.409 -22.063 34.708 1.00 20.55 ATOM 1072 HG22 VAL 67 -3.070 -22.657 35.691 1.00 74.13 ATOM 1073 HG23 VAL 67 -3.951 -23.767 34.642 1.00 4.35 ATOM 1074 C VAL 67 -2.323 -22.315 31.096 1.00 32.23 ATOM 1075 O VAL 67 -2.226 -21.194 30.587 1.00 35.24 ATOM 1076 N HIS 68 -1.583 -23.354 30.692 1.00 63.52 ATOM 1077 HN HIS 68 -1.651 -24.207 31.178 1.00 39.32 ATOM 1078 CA HIS 68 -0.685 -23.248 29.537 1.00 53.24 ATOM 1079 HA HIS 68 -0.609 -22.196 29.290 1.00 2.22 ATOM 1080 CB HIS 68 0.730 -23.763 29.868 1.00 52.45 ATOM 1081 HB1 HIS 68 1.111 -23.208 30.715 1.00 39.32 ATOM 1082 HB2 HIS 68 1.374 -23.583 29.020 1.00 52.10 ATOM 1083 CG HIS 68 0.825 -25.223 30.200 1.00 3.14 ATOM 1084 ND1 HIS 68 0.767 -25.708 31.485 1.00 75.13 ATOM 1085 HD1 HIS 68 0.625 -25.170 32.295 1.00 72.32 ATOM 1086 CD2 HIS 68 1.018 -26.305 29.407 1.00 3.22 ATOM 1087 HD2 HIS 68 1.104 -26.302 28.329 1.00 42.21 ATOM 1088 CE1 HIS 68 0.927 -27.014 31.471 1.00 1.45 ATOM 1089 HE1 HIS 68 0.930 -27.657 32.338 1.00 30.24 ATOM 1090 NE2 HIS 68 1.079 -27.403 30.224 1.00 33.02 ATOM 1091 HE2 HIS 68 1.399 -28.293 29.952 1.00 39.32 ATOM 1092 C HIS 68 -1.270 -23.975 28.313 1.00 33.14 ATOM 1093 O HIS 68 -1.510 -25.185 28.339 1.00 22.12 ATOM 1094 N VAL 69 -1.509 -23.215 27.249 1.00 72.15 ATOM 1095 HN VAL 69 -1.272 -22.264 27.289 1.00 39.32 ATOM 1096 CA VAL 69 -2.111 -23.739 26.021 1.00 71.42 ATOM 1097 HA VAL 69 -2.965 -24.342 26.302 1.00 44.55 ATOM 1098 CB VAL 69 -2.611 -22.580 25.116 1.00 10.10 ATOM 1099 HB VAL 69 -1.748 -22.016 24.785 1.00 13.53 ATOM 1100 CG1 VAL 69 -3.325 -23.117 23.875 1.00 64.22 ATOM 1101 HG11 VAL 69 -4.188 -23.694 24.174 1.00 71.13 ATOM 1102 HG12 VAL 69 -2.650 -23.745 23.313 1.00 14.43 ATOM 1103 HG13 VAL 69 -3.643 -22.290 23.255 1.00 14.31 ATOM 1104 CG2 VAL 69 -3.523 -21.635 25.900 1.00 23.30 ATOM 1105 HG21 VAL 69 -4.392 -22.175 26.248 1.00 34.12 ATOM 1106 HG22 VAL 69 -3.837 -20.821 25.261 1.00 50.12 ATOM 1107 HG23 VAL 69 -2.985 -21.237 26.749 1.00 31.15 ATOM 1108 C VAL 69 -1.122 -24.613 25.230 1.00 2.44 ATOM 1109 O VAL 69 0.081 -24.329 25.172 1.00 3.42 ATOM 1110 N THR 70 -1.637 -25.679 24.622 1.00 60.44 ATOM 1111 HN THR 70 -2.602 -25.851 24.703 1.00 39.32 ATOM 1112 CA THR 70 -0.818 -26.592 23.816 1.00 62.43 ATOM 1113 HA THR 70 0.224 -26.329 23.950 1.00 41.32 ATOM 1114 CB THR 70 -1.013 -28.066 24.254 1.00 70.44 ATOM 1115 HB THR 70 -0.278 -28.677 23.749 1.00 62.52 ATOM 1116 OG1 THR 70 -2.324 -28.521 23.886 1.00 75.53 ATOM 1117 HG1 THR 70 -2.988 -27.929 24.265 1.00 34.34 ATOM 1118 CG2 THR 70 -0.824 -28.223 25.761 1.00 2.10 ATOM 1119 HG21 THR 70 -0.970 -29.258 26.037 1.00 1.32 ATOM 1120 HG22 THR 70 -1.542 -27.608 26.283 1.00 41.23 ATOM 1121 HG23 THR 70 0.177 -27.917 26.035 1.00 33.41 ATOM 1122 C THR 70 -1.176 -26.477 22.329 1.00 64.20 ATOM 1123 O THR 70 -1.958 -25.614 21.932 1.00 65.12 ATOM 1124 N GLN 71 -0.604 -27.351 21.508 1.00 75.11 ATOM 1125 HN GLN 71 0.045 -27.992 21.866 1.00 39.32 ATOM 1126 CA GLN 71 -0.934 -27.391 20.081 1.00 53.20 ATOM 1127 HA GLN 71 -0.873 -26.380 19.697 1.00 0.15 ATOM 1128 CB GLN 71 0.074 -28.271 19.329 1.00 72.41 ATOM 1129 HB1 GLN 71 0.218 -29.187 19.885 1.00 39.32 ATOM 1130 HB2 GLN 71 1.018 -27.748 19.267 1.00 31.55 ATOM 1131 CG GLN 71 -0.364 -28.637 17.917 1.00 4.33 ATOM 1132 HG1 GLN 71 -0.439 -27.732 17.331 1.00 39.32 ATOM 1133 HG2 GLN 71 -1.333 -29.112 17.962 1.00 53.54 ATOM 1134 CD GLN 71 0.597 -29.579 17.225 1.00 61.54 ATOM 1135 OE1 GLN 71 0.513 -30.790 17.381 1.00 75.45 ATOM 1136 NE2 GLN 71 1.473 -29.040 16.408 1.00 14.51 ATOM 1137 HE21 GLN 71 1.461 -28.068 16.288 1.00 13.33 ATOM 1138 HE22 GLN 71 2.101 -29.639 15.948 1.00 60.25 ATOM 1139 C GLN 71 -2.363 -27.921 19.858 1.00 23.45 ATOM 1140 O GLN 71 -3.057 -27.493 18.929 1.00 74.21 ATOM 1141 N GLU 72 -2.795 -28.843 20.725 1.00 1.20 ATOM 1142 HN GLU 72 -2.210 -29.102 21.470 1.00 39.32 ATOM 1143 CA GLU 72 -4.116 -29.480 20.609 1.00 21.41 ATOM 1144 HA GLU 72 -4.128 -30.055 19.694 1.00 31.14 ATOM 1145 CB GLU 72 -4.361 -30.424 21.792 1.00 70.13 ATOM 1146 HB1 GLU 72 -5.295 -30.948 21.634 1.00 39.32 ATOM 1147 HB2 GLU 72 -4.441 -29.836 22.698 1.00 54.53 ATOM 1148 CG GLU 72 -3.262 -31.460 21.998 1.00 72.44 ATOM 1149 HG1 GLU 72 -2.337 -30.946 22.221 1.00 39.32 ATOM 1150 HG2 GLU 72 -3.143 -32.028 21.085 1.00 72.32 ATOM 1151 CD GLU 72 -3.570 -32.420 23.133 1.00 71.12 ATOM 1152 OE1 GLU 72 -4.030 -31.960 24.198 1.00 71.21 ATOM 1153 OE2 GLU 72 -3.339 -33.637 22.970 1.00 24.43 ATOM 1154 C GLU 72 -5.241 -28.442 20.554 1.00 53.32 ATOM 1155 O GLU 72 -6.142 -28.525 19.718 1.00 34.43 ATOM 1156 N ASP 73 -5.174 -27.464 21.447 1.00 70.14 ATOM 1157 HN ASP 73 -4.422 -27.446 22.079 1.00 39.32 ATOM 1158 CA ASP 73 -6.185 -26.412 21.523 1.00 62.54 ATOM 1159 HA ASP 73 -7.136 -26.883 21.740 1.00 51.31 ATOM 1160 CB ASP 73 -5.833 -25.454 22.662 1.00 50.20 ATOM 1161 HB1 ASP 73 -6.660 -24.778 22.827 1.00 39.32 ATOM 1162 HB2 ASP 73 -4.956 -24.882 22.389 1.00 4.53 ATOM 1163 CG ASP 73 -5.545 -26.193 23.962 1.00 61.43 ATOM 1164 OD1 ASP 73 -6.484 -26.420 24.746 1.00 13.44 ATOM 1165 OD2 ASP 73 -4.371 -26.569 24.195 1.00 12.21 ATOM 1166 C ASP 73 -6.300 -25.647 20.189 1.00 73.22 ATOM 1167 O ASP 73 -7.402 -25.359 19.716 1.00 73.41 ATOM 1168 N PHE 74 -5.151 -25.344 19.579 1.00 64.42 ATOM 1169 HN PHE 74 -4.308 -25.608 20.004 1.00 39.32 ATOM 1170 CA PHE 74 -5.110 -24.631 18.295 1.00 71.43 ATOM 1171 HA PHE 74 -5.725 -23.746 18.399 1.00 72.33 ATOM 1172 CB PHE 74 -3.676 -24.186 17.965 1.00 52.23 ATOM 1173 HB1 PHE 74 -3.626 -23.889 16.926 1.00 39.32 ATOM 1174 HB2 PHE 74 -3.003 -25.018 18.124 1.00 41.12 ATOM 1175 CG PHE 74 -3.185 -23.030 18.801 1.00 21.23 ATOM 1176 CD1 PHE 74 -2.481 -23.247 19.977 1.00 5.22 ATOM 1177 HD1 PHE 74 -2.287 -24.261 20.299 1.00 14.33 ATOM 1178 CD2 PHE 74 -3.423 -21.721 18.403 1.00 3.12 ATOM 1179 HD2 PHE 74 -3.967 -21.536 17.489 1.00 41.14 ATOM 1180 CE1 PHE 74 -2.033 -22.186 20.741 1.00 23.04 ATOM 1181 HE1 PHE 74 -1.487 -22.371 21.655 1.00 11.11 ATOM 1182 CE2 PHE 74 -2.977 -20.657 19.164 1.00 73.21 ATOM 1183 HE2 PHE 74 -3.171 -19.644 18.843 1.00 25.13 ATOM 1184 CZ PHE 74 -2.278 -20.890 20.332 1.00 5.04 ATOM 1185 HZ PHE 74 -1.927 -20.059 20.928 1.00 24.23 ATOM 1186 C PHE 74 -5.678 -25.474 17.141 1.00 41.13 ATOM 1187 O PHE 74 -6.520 -24.998 16.383 1.00 62.21 ATOM 1188 N GLU 75 -5.228 -26.724 17.001 1.00 43.34 ATOM 1189 HN GLU 75 -4.567 -27.072 17.638 1.00 39.32 ATOM 1190 CA GLU 75 -5.709 -27.585 15.905 1.00 13.42 ATOM 1191 HA GLU 75 -5.586 -27.021 14.988 1.00 30.52 ATOM 1192 CB GLU 75 -4.872 -28.870 15.797 1.00 63.13 ATOM 1193 HB1 GLU 75 -3.859 -28.598 15.531 1.00 39.32 ATOM 1194 HB2 GLU 75 -5.281 -29.484 15.006 1.00 44.45 ATOM 1195 CG GLU 75 -4.820 -29.707 17.070 1.00 53.11 ATOM 1196 HG1 GLU 75 -5.829 -29.980 17.351 1.00 39.32 ATOM 1197 HG2 GLU 75 -4.380 -29.112 17.859 1.00 21.25 ATOM 1198 CD GLU 75 -3.998 -30.976 16.901 1.00 30.44 ATOM 1199 OE1 GLU 75 -4.566 -32.011 16.493 1.00 45.22 ATOM 1200 OE2 GLU 75 -2.774 -30.945 17.160 1.00 72.14 ATOM 1201 C GLU 75 -7.205 -27.915 16.058 1.00 71.13 ATOM 1202 O GLU 75 -7.945 -27.961 15.071 1.00 64.12 ATOM 1203 N MET 76 -7.651 -28.125 17.298 1.00 1.50 ATOM 1204 HN MET 76 -7.005 -28.173 18.034 1.00 39.32 ATOM 1205 CA MET 76 -9.082 -28.293 17.587 1.00 13.21 ATOM 1206 HA MET 76 -9.448 -29.110 16.981 1.00 54.13 ATOM 1207 CB MET 76 -9.301 -28.630 19.070 1.00 32.32 ATOM 1208 HB1 MET 76 -10.348 -28.506 19.306 1.00 39.32 ATOM 1209 HB2 MET 76 -8.726 -27.940 19.672 1.00 35.15 ATOM 1210 CG MET 76 -8.891 -30.048 19.451 1.00 74.03 ATOM 1211 HG1 MET 76 -8.989 -30.163 20.522 1.00 39.32 ATOM 1212 HG2 MET 76 -7.859 -30.199 19.170 1.00 63.22 ATOM 1213 SD MET 76 -9.899 -31.308 18.640 1.00 4.45 ATOM 1214 CE MET 76 -11.530 -30.912 19.277 1.00 52.45 ATOM 1215 HE1 MET 76 -11.796 -29.907 18.983 1.00 71.33 ATOM 1216 HE2 MET 76 -11.524 -30.982 20.355 1.00 24.41 ATOM 1217 HE3 MET 76 -12.253 -31.607 18.875 1.00 45.55 ATOM 1218 C MET 76 -9.858 -27.019 17.219 1.00 54.42 ATOM 1219 O MET 76 -11.008 -27.078 16.774 1.00 31.05 ATOM 1220 N ALA 77 -9.223 -25.867 17.421 1.00 63.01 ATOM 1221 HN ALA 77 -8.346 -25.878 17.863 1.00 39.32 ATOM 1222 CA ALA 77 -9.800 -24.582 17.016 1.00 73.22 ATOM 1223 HA ALA 77 -10.796 -24.521 17.437 1.00 43.41 ATOM 1224 CB ALA 77 -8.978 -23.431 17.581 1.00 4.53 ATOM 1225 HB1 ALA 77 -9.429 -22.490 17.296 1.00 52.40 ATOM 1226 HB2 ALA 77 -7.971 -23.480 17.192 1.00 2.44 ATOM 1227 HB3 ALA 77 -8.951 -23.502 18.659 1.00 12.32 ATOM 1228 C ALA 77 -9.902 -24.477 15.487 1.00 43.22 ATOM 1229 O ALA 77 -10.941 -24.093 14.956 1.00 55.03 ATOM 1230 N VAL 78 -8.827 -24.838 14.785 1.00 12.41 ATOM 1231 HN VAL 78 -8.016 -25.107 15.267 1.00 39.32 ATOM 1232 CA VAL 78 -8.817 -24.837 13.312 1.00 65.24 ATOM 1233 HA VAL 78 -8.925 -23.811 12.982 1.00 23.13 ATOM 1234 CB VAL 78 -7.481 -25.391 12.752 1.00 23.13 ATOM 1235 HB VAL 78 -7.337 -26.389 13.147 1.00 5.30 ATOM 1236 CG1 VAL 78 -7.517 -25.487 11.225 1.00 1.11 ATOM 1237 HG11 VAL 78 -8.317 -26.146 10.922 1.00 61.42 ATOM 1238 HG12 VAL 78 -6.575 -25.877 10.865 1.00 23.51 ATOM 1239 HG13 VAL 78 -7.682 -24.504 10.804 1.00 24.41 ATOM 1240 CG2 VAL 78 -6.307 -24.527 13.206 1.00 32.45 ATOM 1241 HG21 VAL 78 -6.450 -23.513 12.862 1.00 42.04 ATOM 1242 HG22 VAL 78 -5.389 -24.920 12.793 1.00 33.21 ATOM 1243 HG23 VAL 78 -6.248 -24.536 14.284 1.00 74.31 ATOM 1244 C VAL 78 -9.981 -25.665 12.745 1.00 1.01 ATOM 1245 O VAL 78 -10.735 -25.196 11.889 1.00 74.24 ATOM 1246 N ALA 79 -10.131 -26.891 13.245 1.00 65.35 ATOM 1247 HN ALA 79 -9.481 -27.219 13.907 1.00 39.32 ATOM 1248 CA ALA 79 -11.230 -27.770 12.829 1.00 0.03 ATOM 1249 HA ALA 79 -11.151 -27.917 11.759 1.00 51.33 ATOM 1250 CB ALA 79 -11.095 -29.130 13.503 1.00 35.33 ATOM 1251 HB1 ALA 79 -10.140 -29.565 13.249 1.00 44.43 ATOM 1252 HB2 ALA 79 -11.889 -29.782 13.165 1.00 52.14 ATOM 1253 HB3 ALA 79 -11.161 -29.010 14.575 1.00 23.51 ATOM 1254 C ALA 79 -12.603 -27.152 13.144 1.00 3.51 ATOM 1255 O ALA 79 -13.571 -27.351 12.408 1.00 1.04 ATOM 1256 N LYS 80 -12.677 -26.396 14.239 1.00 71.25 ATOM 1257 HN LYS 80 -11.876 -26.284 14.796 1.00 39.32 ATOM 1258 CA LYS 80 -13.924 -25.735 14.647 1.00 42.35 ATOM 1259 HA LYS 80 -14.734 -26.439 14.509 1.00 45.24 ATOM 1260 CB LYS 80 -13.856 -25.344 16.127 1.00 14.42 ATOM 1261 HB1 LYS 80 -13.065 -24.618 16.258 1.00 39.32 ATOM 1262 HB2 LYS 80 -13.623 -26.225 16.710 1.00 43.34 ATOM 1263 CG LYS 80 -15.152 -24.744 16.661 1.00 31.22 ATOM 1264 HG1 LYS 80 -15.908 -25.518 16.691 1.00 39.32 ATOM 1265 HG2 LYS 80 -15.472 -23.955 15.996 1.00 30.14 ATOM 1266 CD LYS 80 -14.982 -24.164 18.060 1.00 51.12 ATOM 1267 HD1 LYS 80 -14.232 -23.385 18.027 1.00 39.32 ATOM 1268 HD2 LYS 80 -14.660 -24.947 18.732 1.00 44.41 ATOM 1269 CE LYS 80 -16.285 -23.572 18.579 1.00 64.42 ATOM 1270 HE1 LYS 80 -16.986 -24.375 18.760 1.00 39.32 ATOM 1271 HE2 LYS 80 -16.689 -22.908 17.830 1.00 54.11 ATOM 1272 NZ LYS 80 -16.088 -22.809 19.836 1.00 42.33 ATOM 1273 HZ1 LYS 80 -15.686 -23.426 20.573 1.00 63.52 ATOM 1274 HZ2 LYS 80 -16.997 -22.430 20.172 1.00 2.51 ATOM 1275 HZ3 LYS 80 -15.439 -22.015 19.671 1.00 24.34 ATOM 1276 C LYS 80 -14.210 -24.478 13.802 1.00 61.20 ATOM 1277 O LYS 80 -15.364 -24.128 13.564 1.00 43.24 ATOM 1278 N VAL 81 -13.155 -23.791 13.368 1.00 23.42 ATOM 1279 HN VAL 81 -12.255 -24.107 13.601 1.00 39.32 ATOM 1280 CA VAL 81 -13.300 -22.571 12.560 1.00 61.33 ATOM 1281 HA VAL 81 -14.113 -21.994 12.981 1.00 34.32 ATOM 1282 CB VAL 81 -12.015 -21.699 12.613 1.00 43.30 ATOM 1283 HB VAL 81 -11.181 -22.303 12.283 1.00 55.23 ATOM 1284 CG1 VAL 81 -12.126 -20.492 11.682 1.00 62.53 ATOM 1285 HG11 VAL 81 -12.973 -19.885 11.972 1.00 20.25 ATOM 1286 HG12 VAL 81 -12.261 -20.832 10.665 1.00 72.11 ATOM 1287 HG13 VAL 81 -11.223 -19.901 11.744 1.00 73.30 ATOM 1288 CG2 VAL 81 -11.737 -21.247 14.045 1.00 24.04 ATOM 1289 HG21 VAL 81 -12.574 -20.671 14.413 1.00 51.34 ATOM 1290 HG22 VAL 81 -10.845 -20.637 14.066 1.00 72.23 ATOM 1291 HG23 VAL 81 -11.592 -22.112 14.674 1.00 41.15 ATOM 1292 C VAL 81 -13.636 -22.893 11.095 1.00 1.54 ATOM 1293 O VAL 81 -14.615 -22.383 10.544 1.00 50.20 ATOM 1294 N MET 82 -12.826 -23.746 10.466 1.00 44.24 ATOM 1295 HN MET 82 -12.088 -24.161 10.964 1.00 39.32 ATOM 1296 CA MET 82 -13.017 -24.083 9.048 1.00 52.41 ATOM 1297 HA MET 82 -13.247 -23.164 8.526 1.00 61.41 ATOM 1298 CB MET 82 -11.728 -24.666 8.456 1.00 2.33 ATOM 1299 HB1 MET 82 -11.869 -24.827 7.396 1.00 39.32 ATOM 1300 HB2 MET 82 -11.522 -25.615 8.930 1.00 64.23 ATOM 1301 CG MET 82 -10.515 -23.764 8.644 1.00 11.23 ATOM 1302 HG1 MET 82 -10.208 -23.806 9.681 1.00 39.32 ATOM 1303 HG2 MET 82 -10.793 -22.752 8.396 1.00 72.40 ATOM 1304 SD MET 82 -9.118 -24.243 7.610 1.00 24.42 ATOM 1305 CE MET 82 -9.773 -23.892 5.977 1.00 4.34 ATOM 1306 HE1 MET 82 -10.022 -22.843 5.908 1.00 71.31 ATOM 1307 HE2 MET 82 -10.658 -24.485 5.808 1.00 44.14 ATOM 1308 HE3 MET 82 -9.030 -24.135 5.232 1.00 71.05 ATOM 1309 C MET 82 -14.193 -25.056 8.850 1.00 25.00 ATOM 1310 O MET 82 -14.882 -25.001 7.830 1.00 23.11 ATOM 1311 N GLN 83 -14.420 -25.935 9.835 1.00 43.22 ATOM 1312 HN GLN 83 -13.783 -25.983 10.579 1.00 39.32 ATOM 1313 CA GLN 83 -15.592 -26.833 9.846 1.00 63.45 ATOM 1314 HA GLN 83 -15.511 -27.452 10.728 1.00 64.30 ATOM 1315 CB GLN 83 -16.879 -26.000 9.956 1.00 62.43 ATOM 1316 HB1 GLN 83 -17.732 -26.654 9.833 1.00 39.32 ATOM 1317 HB2 GLN 83 -16.885 -25.263 9.166 1.00 3.30 ATOM 1318 CG GLN 83 -17.021 -25.276 11.291 1.00 23.32 ATOM 1319 HG1 GLN 83 -16.094 -24.761 11.507 1.00 39.32 ATOM 1320 HG2 GLN 83 -17.212 -26.006 12.064 1.00 32.53 ATOM 1321 CD GLN 83 -18.150 -24.262 11.296 1.00 5.41 ATOM 1322 OE1 GLN 83 -19.296 -24.585 11.592 1.00 14.23 ATOM 1323 NE2 GLN 83 -17.835 -23.019 10.982 1.00 53.43 ATOM 1324 HE21 GLN 83 -16.901 -22.819 10.768 1.00 13.24 ATOM 1325 HE22 GLN 83 -18.551 -22.352 10.975 1.00 75.10 ATOM 1326 C GLN 83 -15.654 -27.758 8.616 1.00 14.31 ATOM 1327 O GLN 83 -16.730 -28.208 8.220 1.00 34.35 ATOM 1328 N LYS 84 -14.499 -28.065 8.036 1.00 1.25 ATOM 1329 HN LYS 84 -13.673 -27.676 8.389 1.00 39.32 ATOM 1330 CA LYS 84 -14.425 -28.974 6.885 1.00 20.41 ATOM 1331 HA LYS 84 -15.164 -28.660 6.170 1.00 22.44 ATOM 1332 CB LYS 84 -13.033 -28.884 6.235 1.00 73.00 ATOM 1333 HB1 LYS 84 -12.286 -28.876 7.016 1.00 39.32 ATOM 1334 HB2 LYS 84 -12.968 -27.957 5.682 1.00 60.43 ATOM 1335 CG LYS 84 -12.713 -30.033 5.279 1.00 11.44 ATOM 1336 HG1 LYS 84 -13.370 -29.968 4.422 1.00 39.32 ATOM 1337 HG2 LYS 84 -12.880 -30.972 5.788 1.00 54.24 ATOM 1338 CD LYS 84 -11.265 -29.980 4.800 1.00 3.31 ATOM 1339 HD1 LYS 84 -10.620 -29.827 5.654 1.00 39.32 ATOM 1340 HD2 LYS 84 -11.156 -29.152 4.114 1.00 12.33 ATOM 1341 CE LYS 84 -10.852 -31.264 4.091 1.00 64.41 ATOM 1342 HE1 LYS 84 -9.835 -31.156 3.742 1.00 39.32 ATOM 1343 HE2 LYS 84 -11.507 -31.422 3.246 1.00 21.14 ATOM 1344 NZ LYS 84 -10.933 -32.447 4.991 1.00 64.35 ATOM 1345 HZ1 LYS 84 -11.922 -32.632 5.256 1.00 42.42 ATOM 1346 HZ2 LYS 84 -10.381 -32.280 5.859 1.00 65.31 ATOM 1347 HZ3 LYS 84 -10.552 -33.287 4.516 1.00 24.22 ATOM 1348 C LYS 84 -14.720 -30.426 7.290 1.00 40.44 ATOM 1349 O LYS 84 -15.628 -31.070 6.754 1.00 0.02 ATOM 1350 N ASP 85 -13.951 -30.928 8.241 1.00 61.41 ATOM 1351 HN ASP 85 -13.307 -30.337 8.680 1.00 39.32 ATOM 1352 CA ASP 85 -14.024 -32.334 8.646 1.00 74.21 ATOM 1353 HA ASP 85 -14.188 -32.922 7.753 1.00 35.23 ATOM 1354 CB ASP 85 -12.687 -32.756 9.259 1.00 33.13 ATOM 1355 HB1 ASP 85 -12.702 -33.819 9.454 1.00 39.32 ATOM 1356 HB2 ASP 85 -12.536 -32.224 10.189 1.00 60.14 ATOM 1357 CG ASP 85 -11.528 -32.449 8.327 1.00 74.33 ATOM 1358 OD1 ASP 85 -11.006 -31.317 8.371 1.00 73.42 ATOM 1359 OD2 ASP 85 -11.150 -33.331 7.529 1.00 63.51 ATOM 1360 C ASP 85 -15.182 -32.608 9.626 1.00 14.30 ATOM 1361 O ASP 85 -14.983 -32.660 10.841 1.00 55.24 ATOM 1362 N SER 86 -16.390 -32.759 9.074 1.00 51.22 ATOM 1363 HN SER 86 -16.485 -32.596 8.112 1.00 39.32 ATOM 1364 HA SER 86 -18.434 -33.093 9.169 1.00 0.14 ATOM 1365 CB SER 86 -17.468 -34.587 10.355 1.00 63.30 ATOM 1366 HB1 SER 86 -16.663 -34.645 11.075 1.00 39.32 ATOM 1367 HB2 SER 86 -17.250 -35.241 9.523 1.00 74.43 ATOM 1368 OG SER 86 -18.668 -35.026 10.975 1.00 1.23 ATOM 1369 HG SER 86 -18.775 -34.568 11.817 1.00 12.33 ATOM 1370 CA SER 86 -17.594 -33.141 9.848 1.00 22.32 ATOM 1371 C SER 86 -17.875 -32.186 11.030 1.00 33.31 ATOM 1372 OT1 SER 86 -18.483 -31.114 10.805 1.00 39.32 ATOM 1373 OT2 SER 86 -17.510 -32.518 12.183 1.00 39.32 ATOM 1374 OH2 TIP3 1 -22.268 -36.004 8.265 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -22.564 -36.871 7.970 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -21.312 -36.131 8.470 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.310 -30.888 2.090 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.340 -31.048 2.072 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.515 -30.765 3.048 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -17.487 -31.445 -0.425 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.192 -31.989 -0.024 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -16.830 -31.349 0.290 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.901 -31.097 2.697 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -21.630 -31.529 3.210 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -20.431 -31.840 2.279 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -22.732 -32.063 4.462 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -22.819 -32.788 5.110 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -22.882 -31.250 4.994 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -22.851 -29.970 6.198 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -22.733 -30.502 7.009 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -22.371 -29.136 6.388 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -14.231 -33.916 0.953 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -13.686 -34.566 1.464 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -15.138 -34.281 0.996 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -12.615 -35.621 2.294 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -12.913 -35.946 3.172 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -11.651 -35.771 2.299 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -7.409 -36.417 3.966 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -7.117 -37.334 3.970 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -7.189 -36.092 4.868 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.194 -36.118 5.203 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.819 -36.076 5.965 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.682 -36.631 4.524 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.134 -30.581 4.658 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -16.720 -30.777 5.528 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -18.087 -30.441 4.869 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -21.274 -27.883 6.870 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -21.451 -27.669 7.808 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -20.407 -27.450 6.689 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -21.185 -30.489 10.674 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -20.221 -30.694 10.671 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -21.245 -29.626 11.136 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -19.440 -31.229 7.270 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -19.578 -30.730 6.435 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -19.267 -30.529 7.939 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.256 -28.795 0.520 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -16.892 -29.404 1.196 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.765 -29.375 -0.069 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -12.488 -38.937 9.427 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -12.915 -39.279 10.239 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -12.699 -39.611 8.751 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -13.493 -41.361 8.536 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -14.131 -42.013 8.181 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -13.386 -41.613 9.459 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -16.933 -41.126 6.230 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -17.036 -41.073 7.200 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -16.177 -41.713 6.106 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.968 -37.177 3.390 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.103 -38.005 3.914 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.857 -36.832 3.265 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -21.975 -31.584 8.292 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -21.929 -31.215 9.201 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -21.054 -31.525 7.967 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.216 -33.624 4.159 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.850 -33.075 4.642 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.190 -34.469 4.668 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -19.733 -36.578 9.067 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -19.407 -36.045 9.834 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -19.502 -37.502 9.303 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -12.021 -33.405 -0.614 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -11.994 -34.080 -1.302 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -12.852 -33.596 -0.122 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -16.753 -34.908 1.776 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -16.500 -34.484 2.622 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -17.002 -35.814 2.030 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -19.763 -29.921 4.937 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -20.172 -30.302 4.128 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -20.348 -29.180 5.172 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.589 -32.793 1.698 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -17.963 -32.213 2.162 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.096 -33.630 1.581 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -18.203 -35.677 6.949 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -18.790 -34.983 6.571 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -18.695 -36.005 7.728 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -22.542 -31.957 12.493 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -22.242 -31.477 11.691 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -21.890 -31.706 13.172 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -22.596 -33.716 6.702 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -22.559 -32.986 7.361 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -22.632 -34.528 7.247 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -19.872 -33.702 6.143 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -19.676 -32.844 6.572 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.849 -33.750 6.145 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.283 -39.175 10.644 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -15.350 -39.449 10.727 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -16.389 -38.488 11.341 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -18.517 -39.174 5.150 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -18.896 -38.925 5.998 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -17.938 -39.941 5.362 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -15.564 -43.134 7.999 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -15.917 -44.018 8.133 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -16.243 -42.540 8.388 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -16.401 -30.290 -2.618 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -16.850 -30.633 -3.395 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -16.800 -30.789 -1.869 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.487 -36.130 4.860 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.082 -36.210 5.752 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.436 -36.339 5.010 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -12.151 -35.773 7.213 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -11.875 -34.836 7.375 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -12.036 -36.204 8.081 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -13.631 -31.281 1.652 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -13.803 -32.235 1.493 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -12.860 -31.078 1.076 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -17.423 -29.395 12.620 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.672 -30.082 11.957 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -16.629 -29.754 13.048 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -18.863 -26.683 6.599 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -18.486 -25.829 6.831 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -18.176 -27.106 6.042 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -13.642 -28.447 1.354 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -14.123 -28.386 0.508 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.696 -29.389 1.592 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -13.905 -32.576 16.507 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -13.272 -33.252 16.214 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -14.611 -32.607 15.838 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -16.005 -34.784 22.275 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -15.800 -33.853 22.066 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -16.175 -35.194 21.392 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -16.575 -28.039 20.876 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -17.098 -28.859 20.999 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -16.277 -28.085 19.939 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.554 -32.501 14.127 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.089 -32.560 13.297 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -15.212 -31.585 14.120 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -13.766 -30.164 22.887 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -12.977 -30.735 22.968 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -14.444 -30.753 22.495 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.535 -28.046 18.307 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -15.116 -28.830 17.882 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -14.770 -27.511 18.623 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -16.407 -35.821 19.795 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.982 -35.578 19.033 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.937 -36.601 19.491 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.578 -37.728 15.327 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -22.358 -38.092 14.902 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.259 -37.043 14.697 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.992 -39.143 9.840 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.604 -38.986 10.596 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.099 -39.092 10.237 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -13.564 -38.841 14.015 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -12.776 -38.990 14.590 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.834 -37.921 14.214 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -15.761 -31.954 22.173 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -16.004 -32.031 23.118 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -16.513 -31.470 21.769 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -16.384 -37.391 12.698 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -15.569 -37.070 13.134 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -17.064 -36.768 12.985 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -14.941 -29.683 14.066 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.500 -29.079 14.612 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -14.536 -29.097 13.406 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -18.058 -27.478 28.528 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -18.412 -26.811 27.895 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -17.360 -27.928 28.024 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -16.429 -27.935 15.542 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -17.108 -27.270 15.327 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -16.352 -27.896 16.514 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -14.022 -29.884 16.953 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -13.913 -30.856 17.042 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.107 -29.745 15.999 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -17.832 -35.699 17.461 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -18.541 -36.382 17.442 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -17.607 -35.561 16.529 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -24.124 -34.092 11.918 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -25.008 -33.724 11.858 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -23.558 -33.320 12.162 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -16.928 -34.884 14.736 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -17.846 -34.594 14.555 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -16.399 -34.061 14.648 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -16.414 -35.213 24.936 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -17.092 -35.896 24.948 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -16.190 -35.114 23.974 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -17.258 -41.183 8.972 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -18.162 -40.825 9.047 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -16.721 -40.577 9.526 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.516 -29.574 29.539 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.436 -29.460 29.276 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -19.073 -28.749 29.237 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -15.795 -40.494 13.474 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -15.083 -39.988 13.907 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -16.513 -39.861 13.383 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -17.032 -30.444 26.313 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -17.489 -30.941 27.025 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -16.644 -31.144 25.745 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -13.234 -33.316 25.098 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.357 -33.480 25.499 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -13.022 -32.913 24.231 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -19.747 -37.666 17.352 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -20.390 -37.655 16.607 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -20.088 -38.337 17.947 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -21.730 -27.903 18.951 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -21.956 -27.029 19.315 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -21.029 -27.708 18.286 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -15.936 -32.492 24.874 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -14.983 -32.630 25.031 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -16.321 -33.390 24.952 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -20.092 -31.006 13.679 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -19.429 -31.083 12.970 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -20.005 -30.080 13.988 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -21.458 -28.089 12.084 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -22.131 -27.466 12.437 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.783 -28.142 12.799 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -19.224 -33.660 13.835 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -19.759 -32.919 14.180 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -18.530 -33.212 13.280 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -17.595 -30.105 31.471 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -18.322 -30.015 30.820 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -18.005 -29.853 32.323 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -20.742 -35.921 13.455 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -21.286 -35.706 12.670 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -20.236 -35.098 13.631 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -14.792 -34.421 27.162 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.413 -34.891 26.573 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -14.143 -34.025 26.550 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -22.330 -35.944 11.113 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -23.057 -35.376 11.464 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -22.352 -35.785 10.151 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -20.680 -38.105 11.695 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -21.381 -37.542 11.310 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -20.400 -37.618 12.488 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -11.730 -34.162 28.474 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -11.177 -34.477 29.222 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -12.635 -34.224 28.802 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -19.501 -28.321 13.959 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.716 -28.641 13.449 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -19.152 -27.576 14.484 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.773 -31.052 28.356 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -13.304 -30.918 29.209 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -14.550 -31.593 28.597 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.460 -36.184 14.378 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -13.797 -35.504 14.594 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -15.311 -35.786 14.657 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -11.454 -36.439 16.776 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.897 -35.843 16.144 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -10.885 -35.852 17.292 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -11.799 -32.075 23.024 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -11.469 -32.674 22.341 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -10.984 -31.716 23.441 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -11.552 -34.932 12.015 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -11.547 -35.517 11.223 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -12.230 -34.274 11.817 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -13.807 -40.098 11.590 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -14.478 -40.670 12.012 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -13.456 -39.563 12.336 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -10.998 -36.028 24.921 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -10.848 -35.172 25.377 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -11.941 -36.031 24.726 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -18.692 -25.934 26.429 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -18.723 -25.215 25.759 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -18.048 -26.579 26.055 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.803 -27.826 25.725 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -16.325 -27.812 24.869 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -16.928 -28.787 25.910 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -16.188 -25.320 21.288 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.274 -26.267 21.047 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -17.081 -25.072 21.600 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -15.345 -28.001 23.336 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -15.817 -27.962 22.475 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -14.713 -28.753 23.227 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -14.430 -34.294 35.142 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.912 -34.654 34.413 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -15.121 -33.745 34.700 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -16.105 -31.780 38.338 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.554 -32.583 38.329 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -16.979 -32.091 38.040 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -19.510 -30.957 35.962 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.287 -30.406 36.737 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.239 -31.859 36.227 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -17.864 -33.076 36.585 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -17.285 -33.767 36.960 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -17.562 -32.986 35.665 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.117 -28.617 40.482 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.815 -28.050 40.101 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -16.865 -28.162 41.297 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.636 -34.493 37.570 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -15.252 -35.196 38.106 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.134 -34.531 36.726 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -18.254 -29.447 37.900 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -18.608 -28.548 38.066 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.889 -29.717 38.760 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -18.258 -29.415 34.069 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.465 -29.641 34.587 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -18.986 -29.881 34.541 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -18.124 -26.711 33.647 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -18.328 -27.671 33.676 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -17.963 -26.528 32.696 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.400 -27.770 32.297 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -15.600 -28.687 32.072 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.115 -27.257 31.865 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -15.738 -32.798 29.157 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -16.586 -32.454 28.802 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.455 -33.472 28.494 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.571 -33.814 30.160 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.041 -34.589 30.485 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.776 -33.770 30.704 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -12.893 -30.672 30.951 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -12.826 -29.710 31.123 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -13.694 -30.947 31.435 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -16.395 -30.324 36.011 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -15.920 -30.964 36.586 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -17.108 -29.969 36.593 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -16.238 -32.510 34.224 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.970 -32.260 33.312 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -16.311 -31.657 34.692 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -16.390 -26.319 35.715 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -17.029 -25.867 36.301 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.922 -26.537 34.912 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -19.982 -24.098 28.134 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -20.257 -24.554 28.932 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -19.600 -24.801 27.572 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -18.215 -31.761 28.413 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -18.518 -32.535 28.939 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.692 -31.004 28.809 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -10.656 -33.560 26.127 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -10.972 -33.813 27.032 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -9.876 -32.986 26.301 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -18.891 -26.974 39.053 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -18.196 -26.385 39.423 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -19.700 -26.446 39.110 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.686 -31.942 36.425 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -12.828 -32.090 36.893 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -13.877 -32.802 36.006 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -15.116 -29.257 38.774 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -15.348 -30.199 38.612 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -15.750 -28.978 39.475 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -12.355 -29.119 38.785 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -13.327 -29.232 38.802 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -12.227 -28.217 38.468 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -10.385 -30.722 39.678 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -10.572 -30.881 40.608 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -11.144 -30.167 39.368 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -8.190 -31.946 31.205 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -9.140 -31.769 31.214 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -7.919 -31.760 30.272 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -17.332 -26.364 30.979 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -16.963 -25.490 30.706 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -17.612 -26.779 30.135 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -11.552 -10.303 -14.074 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -12.454 -10.401 -13.679 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -11.035 -9.852 -13.378 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -11.220 -14.725 -11.811 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -10.498 -14.141 -12.137 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -11.893 -14.096 -11.449 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.380 -15.199 -13.583 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.656 -15.115 -12.941 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -12.936 -15.076 -14.457 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -17.211 -15.538 -7.516 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -18.068 -15.329 -7.100 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -17.441 -15.811 -8.418 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -13.240 -13.466 -10.584 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -13.911 -13.135 -11.224 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -13.707 -14.170 -10.086 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -16.971 -13.480 -10.211 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -17.042 -14.451 -10.281 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -17.698 -13.232 -9.590 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -13.410 -8.117 -10.533 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.921 -8.600 -9.849 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -13.967 -8.187 -11.336 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -10.623 -8.690 -16.057 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -11.197 -8.601 -16.836 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -11.123 -9.278 -15.450 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -23.132 -10.018 -7.338 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -24.048 -9.827 -7.558 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -23.020 -9.656 -6.435 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -15.088 -11.830 -9.056 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -15.694 -12.409 -9.568 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -14.211 -12.249 -9.163 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -15.285 -12.769 -12.252 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -16.035 -12.987 -11.659 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -15.393 -13.370 -13.003 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -16.919 -16.273 -10.287 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.475 -16.165 -11.166 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -17.382 -17.118 -10.361 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -11.698 -15.011 -15.693 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -11.327 -15.900 -15.851 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -11.176 -14.426 -16.279 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -9.636 -12.081 -14.947 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -9.889 -12.590 -15.751 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -10.433 -11.540 -14.746 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -15.795 -16.015 -12.737 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -16.118 -16.455 -13.530 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -14.876 -15.736 -12.977 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -9.781 -17.899 -10.465 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -10.447 -17.308 -10.065 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -9.756 -18.670 -9.861 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.933 -13.023 -8.373 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.647 -12.352 -8.346 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -18.994 -13.467 -7.502 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -14.934 -9.177 -8.591 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -14.979 -10.132 -8.839 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -15.882 -8.892 -8.557 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -21.190 -5.250 -16.925 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -21.212 -4.622 -17.686 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -21.767 -5.968 -17.196 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -13.946 -10.373 -12.807 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.614 -9.664 -12.742 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.445 -11.193 -12.609 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -15.421 -8.022 -12.434 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.243 -7.777 -11.954 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -15.186 -7.206 -12.931 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -15.093 -16.782 2.129 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -14.795 -17.102 3.008 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.898 -17.324 1.945 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -13.566 -10.046 -0.943 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -13.666 -10.814 -0.345 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -13.091 -9.378 -0.396 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.464 -19.230 4.689 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.930 -18.909 5.488 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -17.468 -20.213 4.795 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -16.125 -14.784 -2.060 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -16.125 -15.560 -1.489 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -16.154 -14.029 -1.439 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -15.238 -23.409 5.425 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -15.418 -24.094 4.736 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -15.090 -23.925 6.237 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -15.835 -14.149 1.609 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -15.556 -15.080 1.728 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -16.001 -13.832 2.529 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -20.849 -28.325 2.477 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -20.903 -29.297 2.359 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -21.693 -28.090 2.877 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -16.518 -12.502 -0.441 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -15.799 -11.870 -0.259 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.523 -13.087 0.351 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -14.063 -12.077 0.949 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -14.586 -12.876 1.164 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -13.608 -11.864 1.777 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -13.069 -13.074 7.276 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -13.985 -13.251 7.571 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -12.558 -13.864 7.593 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -18.367 -9.099 -2.163 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -18.607 -8.450 -2.853 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -17.437 -8.870 -1.930 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -14.401 -15.388 -8.990 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -14.683 -14.902 -8.198 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -15.206 -15.856 -9.280 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.096 -17.078 8.030 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -15.810 -17.962 7.710 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.301 -16.726 8.506 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -16.079 -25.444 3.799 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -16.191 -26.288 4.278 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -16.758 -25.474 3.111 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -12.385 -7.883 10.707 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -13.157 -8.057 11.291 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -12.707 -8.109 9.812 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -18.776 -18.482 7.039 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -19.563 -18.014 6.690 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -18.272 -17.795 7.501 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -18.307 -11.811 -2.360 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -17.718 -12.060 -1.606 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -18.476 -10.848 -2.222 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -10.391 -16.257 3.905 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -10.668 -16.295 4.849 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -11.208 -16.466 3.409 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -21.859 -17.495 8.534 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -21.306 -16.940 9.119 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -22.123 -18.237 9.093 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -16.945 -13.355 -4.183 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -16.562 -14.013 -3.551 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -17.417 -12.720 -3.603 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -18.698 -19.076 12.896 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -17.929 -18.691 12.424 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.332 -19.353 13.760 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.679 -15.580 9.744 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.116 -16.020 9.072 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -17.617 -14.629 9.523 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -13.118 -16.195 5.000 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -13.706 -16.979 4.988 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -12.529 -16.347 5.763 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -21.561 -6.775 -4.849 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -22.007 -6.242 -4.144 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -22.051 -7.625 -4.852 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -17.115 -18.560 2.047 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -17.355 -18.704 2.989 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -17.467 -19.332 1.593 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -13.031 -12.956 -7.238 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -13.903 -13.239 -6.890 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -12.386 -13.425 -6.675 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -15.820 -13.463 4.209 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -16.176 -13.990 4.956 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -14.851 -13.619 4.242 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -13.073 -16.431 -5.308 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -13.181 -16.801 -4.405 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -13.971 -16.404 -5.660 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.018 -14.070 -5.838 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.734 -14.063 -5.172 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.213 -13.857 -5.319 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -20.308 -13.325 -3.480 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -19.624 -12.853 -2.953 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -20.834 -13.794 -2.819 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.574 -21.885 5.308 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.791 -22.470 5.279 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -18.114 -22.247 6.031 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -15.283 -19.647 7.241 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -14.831 -19.817 6.399 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -15.752 -20.494 7.437 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -22.522 -9.355 -4.721 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.688 -9.878 -4.767 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -22.965 -9.688 -3.932 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -14.820 -18.306 4.499 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -14.435 -19.212 4.495 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.776 -18.457 4.649 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -16.696 -14.905 6.434 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -16.416 -15.751 6.837 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -16.315 -14.222 7.028 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -15.661 -13.164 8.357 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.554 -12.890 8.643 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.076 -12.855 9.087 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.564 -15.058 6.613 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -20.027 -15.821 6.214 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -18.654 -15.119 6.272 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -15.452 -13.855 -6.437 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -15.846 -13.631 -5.566 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -16.089 -14.501 -6.825 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.155 -15.747 9.409 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -13.274 -15.608 8.985 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.127 -15.188 10.194 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -20.484 -19.001 10.847 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -20.441 -18.029 10.750 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.924 -19.184 11.633 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -20.212 -16.307 10.409 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -19.293 -16.092 10.123 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -20.514 -15.504 10.851 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -11.565 -15.990 -9.371 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -11.538 -15.581 -10.263 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -12.502 -15.896 -9.094 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.952 -20.514 8.656 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -20.102 -19.966 9.459 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -19.554 -19.889 8.014 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -18.828 -22.880 7.827 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -19.419 -23.566 8.203 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -19.262 -22.032 8.074 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -21.061 -17.287 5.966 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -21.792 -17.483 5.370 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -21.470 -17.315 6.867 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -21.886 -22.315 10.102 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -21.513 -23.115 9.675 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -21.455 -21.578 9.638 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -16.245 -22.026 8.163 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -17.161 -22.359 8.036 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -15.788 -22.752 8.597 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.992 -29.152 9.012 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.165 -28.729 8.687 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -18.683 -29.790 9.700 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -20.396 -11.035 -5.026 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -20.454 -11.915 -4.595 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -20.475 -11.228 -5.984 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -12.162 -10.610 3.567 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -13.119 -10.767 3.729 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -11.712 -11.218 4.197 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -12.248 -16.546 1.797 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -12.403 -17.343 1.269 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -13.141 -16.237 2.027 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -13.955 -17.996 -0.182 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -14.048 -18.891 0.224 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -14.413 -17.408 0.443 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -13.080 -13.784 3.830 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -13.041 -14.692 4.214 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -12.385 -13.294 4.309 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -11.218 -12.441 5.387 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -10.384 -12.891 5.655 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -11.822 -12.587 6.149 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -11.272 -14.392 -5.636 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -11.987 -15.068 -5.582 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -10.553 -14.770 -5.104 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.293 -20.177 1.429 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.951 -20.176 2.133 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -13.601 -20.797 1.748 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -14.156 -20.951 4.641 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -14.548 -21.811 4.918 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -13.438 -21.204 4.027 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -12.445 -28.606 -1.878 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -13.377 -28.527 -1.570 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -12.477 -28.326 -2.799 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -18.608 -10.286 8.751 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -19.103 -9.470 8.643 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -18.946 -10.870 8.033 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -19.497 -12.458 7.376 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -19.738 -13.260 6.868 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -19.118 -12.809 8.199 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -18.344 -27.125 2.414 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -19.285 -27.414 2.420 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -17.964 -27.566 1.628 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -10.049 -26.885 4.817 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -10.914 -26.578 4.496 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -9.680 -27.383 4.058 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -17.132 -27.793 4.738 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.079 -28.765 4.712 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -17.624 -27.558 3.916 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.054 -28.481 -1.091 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.439 -29.099 -1.756 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -15.817 -28.242 -0.525 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -20.946 -27.250 9.531 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -21.188 -27.488 10.451 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -20.220 -27.876 9.306 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.301 -21.144 19.415 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.128 -20.408 18.804 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -19.204 -21.452 19.174 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -16.990 -22.196 22.265 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.790 -21.244 22.148 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -16.567 -22.424 23.121 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.359 -17.939 15.790 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -15.050 -18.812 15.472 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -16.028 -18.159 16.463 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.298 -15.081 21.517 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -15.026 -15.520 22.348 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.791 -14.307 21.810 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -24.425 -26.122 20.310 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -25.303 -25.920 20.641 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -24.478 -27.070 20.051 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -22.104 -25.082 19.286 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -22.929 -25.289 19.786 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -22.388 -25.105 18.339 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -16.910 -14.565 14.518 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -16.310 -15.200 14.056 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -16.928 -14.882 15.438 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -16.362 -16.759 19.506 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -17.056 -17.145 20.088 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -15.851 -16.172 20.104 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -17.986 -30.427 21.419 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -18.604 -30.347 20.653 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.568 -30.495 22.183 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -14.926 -13.219 15.889 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -15.156 -13.904 16.555 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -15.398 -13.508 15.086 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.853 -15.521 17.087 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.471 -16.283 16.608 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -16.104 -15.892 17.963 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -14.404 -13.385 24.831 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -14.424 -14.337 24.593 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.271 -13.385 25.794 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -20.739 -22.220 18.637 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -21.025 -22.320 17.711 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -21.271 -22.868 19.121 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -17.799 -19.988 15.350 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -16.898 -20.346 15.205 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -17.749 -19.574 16.237 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.997 -19.017 17.861 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.861 -18.289 18.503 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.254 -19.649 18.053 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -17.610 -15.111 24.361 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -17.472 -14.171 24.092 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.334 -15.414 23.799 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -15.110 -20.649 15.377 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -15.003 -20.759 16.358 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -14.732 -21.454 15.007 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -12.072 -12.654 27.699 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.039 -11.894 28.284 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -13.003 -12.965 27.760 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -15.983 -10.785 12.434 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -16.754 -11.369 12.457 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -15.692 -10.735 13.376 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.153 -10.622 15.005 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.715 -10.058 15.670 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -15.152 -11.513 15.411 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.620 -25.333 23.584 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -14.831 -26.285 23.656 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -14.918 -25.095 22.682 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -14.195 -22.689 31.572 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -14.250 -22.757 32.532 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -13.942 -21.758 31.414 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.841 -24.096 16.907 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.575 -23.506 16.655 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -19.018 -24.312 17.848 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.522 -22.191 26.888 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -19.154 -22.706 27.440 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.727 -21.249 27.100 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -20.730 -24.417 13.732 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -20.099 -24.494 12.982 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -21.576 -24.176 13.301 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.936 -19.709 21.858 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -15.405 -19.386 22.606 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.267 -19.897 21.150 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -19.387 -25.100 19.384 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -20.370 -25.081 19.431 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -19.101 -24.865 20.294 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -23.340 -26.232 12.867 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -24.200 -26.440 12.489 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -23.204 -25.287 12.653 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -22.937 -23.515 12.338 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -22.546 -23.126 11.516 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -23.524 -22.824 12.665 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -18.662 -24.283 21.905 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -18.955 -24.432 22.823 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -18.233 -23.398 21.938 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -24.352 -28.714 19.462 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -24.555 -29.599 19.154 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -23.415 -28.577 19.207 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -18.459 -23.838 24.690 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.705 -23.175 25.372 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.504 -23.681 24.546 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -14.967 -16.035 24.107 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -15.920 -15.924 24.308 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -14.788 -16.969 24.308 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -17.960 -13.645 12.216 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -17.814 -14.506 11.799 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -17.686 -13.785 13.151 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.041 -14.310 26.933 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.334 -14.614 26.051 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -17.152 -15.084 27.500 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -14.799 -16.072 32.039 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -14.333 -15.411 32.580 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.084 -16.657 31.714 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.036 -18.218 21.064 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -18.751 -18.846 20.918 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.300 -18.770 21.412 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -15.171 -19.753 9.987 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.148 -19.643 9.016 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.994 -20.700 10.122 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -15.304 -16.420 13.478 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.170 -16.999 14.257 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -15.599 -17.030 12.774 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.719 -22.936 21.114 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -12.886 -23.088 21.575 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -13.683 -21.988 20.851 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -18.569 -25.998 15.069 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -18.423 -25.277 15.727 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.205 -25.612 14.439 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.813 -23.112 24.620 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.577 -22.949 25.546 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.245 -23.872 24.356 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -19.530 -27.194 17.547 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -19.274 -26.485 18.174 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -19.215 -26.876 16.686 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -22.710 -25.011 16.653 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -22.199 -24.231 16.356 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -22.855 -25.521 15.848 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.134 -12.723 23.285 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.070 -12.709 23.559 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -11.670 -13.117 24.061 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -14.345 -12.198 10.614 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.478 -12.063 11.045 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.969 -11.710 11.184 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -16.573 -17.937 11.501 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -16.040 -18.595 10.991 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -16.783 -17.247 10.852 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.653 -13.504 27.890 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -15.549 -13.548 27.485 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.719 -14.085 28.661 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -21.109 -22.899 15.931 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -20.906 -23.454 15.140 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -21.016 -21.971 15.599 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -20.428 -20.570 14.850 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -20.517 -20.004 14.073 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -19.497 -20.442 15.129 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -17.253 -17.998 29.126 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -16.985 -18.549 29.895 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -16.914 -17.110 29.341 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -18.850 -19.554 27.545 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -19.649 -19.023 27.527 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -18.218 -19.020 28.079 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -13.826 -19.898 31.726 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.745 -19.725 31.424 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.907 -19.989 32.700 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.012 -22.472 27.883 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -16.897 -22.482 27.454 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.966 -21.605 28.302 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -9.658 -13.742 22.498 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -10.462 -13.193 22.603 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -9.521 -14.127 23.377 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -11.041 -13.919 25.469 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -11.325 -13.376 26.238 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -10.793 -14.779 25.868 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -9.794 -17.589 32.593 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -9.642 -16.628 32.483 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -8.891 -17.976 32.593 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -10.260 -16.096 27.001 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -10.245 -15.861 27.935 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -9.494 -16.668 26.887 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.839 -12.575 23.831 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.946 -12.715 24.217 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.078 -11.683 24.103 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -19.836 -29.872 19.490 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -20.550 -29.204 19.497 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -19.576 -29.929 18.562 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -20.562 -24.551 9.253 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -20.123 -24.598 10.128 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -20.833 -25.479 9.076 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -15.449 -31.704 31.687 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -15.432 -32.221 30.853 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.222 -31.101 31.576 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -9.065 -23.043 40.604 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -9.598 -22.752 39.829 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -9.715 -23.152 41.307 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -15.541 -24.103 34.303 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -15.820 -24.829 34.895 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -14.917 -24.536 33.676 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -19.306 -24.112 40.242 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -19.429 -23.822 39.307 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -19.937 -23.583 40.737 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -16.496 -19.493 31.285 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -16.586 -19.093 32.173 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -16.934 -20.377 31.372 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -14.089 -20.062 34.450 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.278 -20.762 35.117 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.159 -19.808 34.626 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.985 -18.208 33.662 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -15.186 -18.657 34.015 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.639 -17.399 33.237 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -9.607 -14.800 32.147 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -9.690 -14.119 31.471 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -8.654 -14.765 32.406 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -16.347 -15.405 29.813 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -15.813 -15.637 30.603 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -17.004 -14.783 30.146 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -16.163 -24.002 30.194 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.387 -23.608 30.656 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.119 -23.621 29.290 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -17.498 -21.957 31.677 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -17.830 -22.291 32.531 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.205 -22.757 31.205 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -17.579 -20.146 34.861 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -18.227 -19.564 35.266 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -16.934 -19.536 34.454 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.257 -15.099 32.971 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.334 -14.797 32.859 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.294 -15.937 32.462 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -11.492 -19.022 34.382 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -11.823 -18.213 34.837 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -10.828 -18.681 33.751 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -17.934 -22.771 34.345 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -17.814 -21.822 34.592 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -17.020 -23.123 34.300 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -18.837 -24.932 35.702 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -18.889 -25.635 35.026 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -18.623 -24.121 35.186 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.439 -17.523 31.710 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -12.826 -18.425 31.636 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -11.492 -17.687 31.912 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -10.791 -21.585 35.164 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -11.071 -20.710 34.826 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -9.943 -21.401 35.626 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -14.643 -22.250 36.093 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -15.020 -22.644 36.913 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -14.971 -22.834 35.380 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.273 -25.297 38.644 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.128 -24.704 37.878 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.094 -25.774 38.423 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -15.091 -23.670 40.850 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -14.112 -23.566 40.790 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -15.345 -23.088 41.573 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -15.389 -23.958 38.113 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -15.421 -23.715 39.059 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -15.122 -24.894 38.118 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -19.813 -23.323 37.705 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -19.506 -23.998 37.058 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -19.930 -22.528 37.176 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -13.778 -25.518 32.867 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -14.119 -26.313 32.401 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -13.138 -25.126 32.242 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -18.503 -2.112 -15.897 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -17.594 -2.439 -15.925 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -19.010 -2.850 -15.486 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -18.016 -7.925 -14.195 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -17.768 -7.130 -14.711 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -17.178 -8.380 -14.047 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.233 -0.802 -18.493 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.983 -1.712 -18.746 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.217 -0.316 -19.321 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -12.300 -4.515 -17.441 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -12.554 -5.102 -18.178 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -11.736 -3.837 -17.857 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -16.241 0.936 -10.353 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -16.389 0.607 -11.259 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -15.302 1.226 -10.355 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -17.474 -8.345 -8.268 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -17.735 -7.568 -7.727 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -18.205 -8.447 -8.908 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -19.533 -1.415 -18.381 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -19.168 -1.677 -17.510 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -19.083 -0.591 -18.587 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.104 -5.559 -13.528 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -15.871 -5.551 -14.144 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -14.424 -5.022 -13.992 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -17.104 -5.590 -15.429 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -16.864 -5.439 -16.370 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -17.965 -5.128 -15.323 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -21.119 -3.534 -19.015 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -20.551 -2.754 -18.820 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -21.693 -3.235 -19.724 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -19.582 -4.472 -14.921 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -20.175 -4.776 -15.654 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -20.022 -4.788 -14.117 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -14.661 1.958 -12.918 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -14.456 2.895 -12.836 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -14.038 1.635 -13.611 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -18.225 -1.741 -11.700 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -17.691 -1.121 -12.233 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -18.559 -1.193 -10.959 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -19.261 -3.524 -8.553 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -19.889 -4.090 -8.065 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -19.065 -2.801 -7.938 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -14.111 -0.678 -8.751 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -14.025 0.252 -9.043 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -13.293 -1.098 -9.065 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -18.018 0.521 -15.295 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -18.284 -0.406 -15.492 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -18.813 1.037 -15.468 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -16.579 0.065 -13.008 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -15.876 0.760 -13.044 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -17.103 0.217 -13.827 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -15.462 0.837 -16.440 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -15.613 0.230 -17.192 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -16.326 0.878 -15.992 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -19.538 2.399 -10.022 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -19.860 3.119 -10.573 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -18.739 2.763 -9.590 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -14.938 -2.196 -12.765 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -14.161 -1.950 -13.310 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -15.516 -1.410 -12.807 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -20.868 -5.393 -12.249 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -21.503 -4.668 -12.227 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -20.054 -5.014 -11.836 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -16.957 -0.915 -8.089 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -16.214 -0.512 -8.575 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -17.749 -0.645 -8.596 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -21.096 -6.692 -9.320 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -20.925 -7.638 -9.440 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -21.254 -6.364 -10.216 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -19.945 -8.006 -12.251 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -20.444 -7.180 -12.421 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -19.412 -8.136 -13.071 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -18.716 -4.330 -11.066 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -18.883 -4.111 -10.117 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -18.505 -3.455 -11.475 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -19.626 -9.311 -9.890 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -19.846 -8.882 -10.753 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -19.193 -10.138 -10.145 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -17.651 -6.963 -11.145 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -17.907 -6.019 -11.132 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -18.435 -7.416 -11.506 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -20.644 -10.958 -7.831 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -21.611 -10.781 -7.732 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -20.337 -10.251 -8.431 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -18.116 -6.240 -6.671 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -17.609 -5.468 -6.329 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -18.991 -5.864 -6.910 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -12.643 4.940 -5.424 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -12.869 4.742 -4.510 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -12.352 5.858 -5.404 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -13.168 1.128 -15.010 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -13.894 1.106 -15.678 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -12.469 1.684 -15.429 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -12.193 -2.737 -6.446 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -12.070 -3.303 -7.229 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -11.422 -2.956 -5.874 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -13.160 -4.214 -14.864 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -13.101 -3.252 -14.683 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -12.949 -4.289 -15.827 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -16.598 -5.081 -18.169 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -16.158 -4.341 -18.636 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -17.446 -5.172 -18.616 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -15.453 -3.130 -19.775 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -14.492 -2.917 -19.820 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -15.708 -3.260 -20.696 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -13.252 -6.088 -19.513 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -14.145 -6.132 -19.142 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -13.088 -6.995 -19.852 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -7.934 -4.440 5.257 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -8.272 -5.179 5.813 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -7.828 -4.843 4.363 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -18.367 -5.132 2.422 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -19.062 -5.057 1.722 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -18.805 -4.821 3.220 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -18.552 -5.281 -2.999 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -17.590 -5.106 -2.951 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -18.616 -6.146 -3.441 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -10.010 -7.480 4.483 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -10.956 -7.443 4.718 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -9.551 -7.178 5.289 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -14.804 -10.892 4.277 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.332 -10.159 3.872 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -15.391 -11.676 4.209 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -20.037 -1.582 -3.471 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -20.765 -0.988 -3.682 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -19.895 -2.097 -4.302 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -19.500 -3.089 -5.650 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -18.592 -3.419 -5.499 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -19.994 -3.874 -5.949 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -10.181 -4.090 3.436 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -9.958 -4.018 4.373 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -9.447 -4.613 3.057 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -17.294 -1.166 -3.605 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -18.198 -1.366 -3.290 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -17.425 -0.514 -4.299 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -14.857 -2.375 -3.345 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -15.709 -1.899 -3.211 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -14.655 -2.232 -4.286 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -14.871 -2.303 -6.267 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -15.047 -1.522 -6.826 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -13.889 -2.409 -6.308 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -16.846 -4.092 -5.580 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -16.256 -3.317 -5.726 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -16.558 -4.447 -4.706 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -20.498 -3.837 -1.868 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -20.349 -2.941 -2.234 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -19.771 -4.379 -2.263 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -20.274 -5.212 0.522 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -20.325 -4.573 -0.221 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -20.812 -5.953 0.231 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -20.676 -5.324 -6.984 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -21.008 -5.801 -7.785 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -21.108 -5.796 -6.230 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -15.976 -8.665 3.272 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -16.483 -8.412 2.472 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -15.622 -7.822 3.603 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -15.449 5.124 -8.570 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -15.928 5.953 -8.648 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -16.131 4.436 -8.719 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -15.838 -4.935 -3.165 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -15.382 -4.070 -3.055 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -15.601 -5.433 -2.352 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -22.617 -5.239 -2.874 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -23.389 -4.707 -2.660 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -21.867 -4.748 -2.473 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -15.274 -6.063 -0.716 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -14.531 -5.457 -0.501 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -15.814 -6.066 0.095 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -15.655 -4.838 1.945 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -16.623 -4.809 2.089 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -15.323 -5.402 2.671 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -17.134 2.951 -8.797 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -16.794 2.262 -9.420 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -17.116 2.517 -7.935 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -19.270 -0.278 -9.579 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -20.167 -0.530 -9.339 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -19.337 0.687 -9.775 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -13.356 3.608 -7.705 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -14.070 4.204 -8.037 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -13.066 4.034 -6.866 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -11.720 -2.814 1.623 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -11.466 -1.883 1.753 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -11.231 -3.297 2.330 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -12.597 -0.125 -0.242 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -13.411 0.232 0.124 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.976 -0.133 0.512 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -12.452 -2.198 -1.984 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -12.550 -1.464 -1.334 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -13.342 -2.272 -2.396 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -13.612 -4.127 0.219 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -12.966 -3.558 0.697 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -14.386 -4.168 0.824 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -14.729 -6.324 4.158 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -14.642 -5.637 4.825 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -13.991 -6.941 4.351 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -12.723 -8.171 4.860 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -12.497 -8.856 4.197 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -12.930 -8.685 5.663 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -8.803 -7.622 10.394 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -8.144 -7.261 9.763 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -9.649 -7.525 9.932 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -11.026 -6.637 8.453 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -11.393 -6.218 9.243 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -11.739 -7.238 8.151 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -13.475 -10.381 6.619 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -14.044 -10.591 5.844 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -13.282 -11.260 7.014 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -12.396 -8.293 0.778 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -12.824 -7.725 1.426 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -11.531 -8.511 1.182 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -10.185 -9.119 2.328 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -9.946 -8.558 3.104 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -10.799 -9.787 2.700 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -17.376 -7.458 1.226 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -17.801 -6.665 1.606 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -17.919 -7.677 0.461 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -15.729 -8.519 -1.754 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -15.542 -7.639 -1.356 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -14.989 -9.083 -1.443 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -18.984 -7.632 -4.446 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -18.578 -7.280 -5.265 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -19.935 -7.386 -4.528 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -18.029 -12.762 9.678 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -18.176 -11.792 9.564 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -18.082 -12.901 10.651 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -10.075 -9.114 23.342 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -10.821 -9.701 23.153 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -9.283 -9.694 23.235 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -9.275 -10.995 20.300 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -9.524 -10.082 20.017 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -8.832 -10.864 21.157 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -12.351 -11.229 12.402 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -12.678 -11.124 13.304 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -11.601 -10.621 12.349 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -13.343 -8.149 8.124 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -13.289 -9.041 7.702 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -14.271 -7.902 8.029 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -13.395 -9.417 16.816 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -13.058 -8.780 17.458 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -12.984 -9.142 15.962 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -10.477 -8.778 12.451 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.147 -8.409 11.833 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -9.640 -8.706 11.958 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -12.307 -12.907 20.425 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -13.161 -13.348 20.339 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -12.223 -12.732 21.382 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -12.857 -12.084 17.181 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -13.125 -11.141 17.128 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -13.566 -12.561 16.700 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -7.959 -10.795 22.899 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -7.540 -10.710 23.787 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -7.570 -11.610 22.534 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -14.482 -8.486 12.335 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -15.145 -7.877 12.682 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -14.972 -9.334 12.219 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -3.401 -32.528 5.489 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -3.714 -31.615 5.556 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -4.152 -33.012 5.075 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 5.770 -31.405 0.327 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 4.872 -31.279 0.695 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 6.146 -30.502 0.305 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.461 -31.171 10.929 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -7.201 -31.320 10.292 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -6.228 -30.249 10.803 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -9.392 -30.539 1.231 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -9.331 -31.509 1.368 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -10.190 -30.432 0.668 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 6.084 -27.712 3.155 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 5.801 -27.386 4.042 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 6.705 -27.022 2.839 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -6.607 -35.589 6.462 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -5.953 -35.989 7.085 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -7.312 -35.236 7.049 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -8.786 -34.559 7.832 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -9.630 -34.050 7.730 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -8.685 -34.654 8.803 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -11.700 -30.671 -0.198 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.914 -30.017 -0.900 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -11.756 -31.540 -0.649 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 3.406 -30.765 1.618 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.485 -30.918 1.921 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 3.883 -30.497 2.435 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 3.657 -28.860 -0.347 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 4.628 -28.873 -0.252 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 3.353 -29.562 0.261 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 5.064 -34.628 2.978 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 5.342 -34.479 2.047 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 5.863 -34.926 3.416 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -5.685 -28.632 5.624 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -4.764 -28.976 5.692 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -5.707 -27.881 6.246 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 2.110 -29.243 4.953 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 2.910 -29.470 4.438 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 2.470 -28.799 5.758 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -10.250 -35.100 5.281 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -9.498 -35.017 5.895 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -10.956 -35.507 5.826 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -13.490 -33.399 4.602 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -13.404 -34.372 4.680 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -14.407 -33.267 4.292 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 3.844 -31.052 7.391 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 3.039 -31.369 6.962 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 3.776 -30.069 7.337 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -8.698 -25.225 0.247 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -9.573 -25.609 0.008 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -8.144 -26.008 0.446 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -8.398 -31.299 9.069 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -9.373 -31.388 8.942 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -8.133 -30.641 8.394 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -8.831 -34.787 10.614 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -9.615 -34.540 11.132 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -8.099 -34.270 11.027 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 6.150 -34.079 0.512 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 6.092 -33.093 0.480 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 6.272 -34.335 -0.403 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -3.024 -29.453 5.801 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -2.215 -29.999 5.700 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -2.678 -28.548 5.952 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -8.471 -32.170 6.195 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -8.190 -31.271 6.464 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -8.252 -32.726 6.962 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -9.814 -35.636 2.680 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.083 -35.488 3.615 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -8.908 -35.991 2.754 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -11.366 -38.899 15.621 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -10.443 -39.152 15.685 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -11.415 -38.044 16.106 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 1.129 -31.054 3.071 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 0.286 -31.401 3.390 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 1.351 -30.346 3.711 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 2.867 -33.400 4.099 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 2.679 -32.765 3.396 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 3.653 -33.894 3.773 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -0.757 -25.881 -0.273 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -0.651 -26.840 -0.276 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -1.728 -25.747 -0.417 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -9.579 -28.099 2.418 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -8.888 -27.639 1.906 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -9.519 -29.030 2.107 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -0.362 -30.423 5.649 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 0.367 -29.784 5.545 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 0.089 -31.257 5.904 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -11.095 -26.593 -0.147 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -11.774 -26.559 0.541 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -11.416 -27.276 -0.763 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -1.389 -33.950 6.574 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -2.094 -33.492 6.051 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -1.136 -33.302 7.241 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 1.097 -32.725 6.013 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 1.809 -33.002 5.386 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 0.463 -33.461 5.992 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -11.317 -36.537 9.802 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -10.365 -36.694 9.730 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -11.722 -37.433 9.687 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -5.527 -33.974 4.499 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -5.838 -34.472 5.284 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -6.032 -34.347 3.769 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -12.072 -26.863 2.882 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -11.266 -27.356 2.624 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -12.803 -27.355 2.444 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 6.111 -29.102 8.772 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 5.204 -28.702 8.748 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 5.949 -30.036 9.034 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 5.302 -31.531 9.658 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 4.944 -32.230 10.247 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 4.739 -31.583 8.850 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 4.596 -29.890 3.922 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 5.021 -30.249 4.716 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 5.197 -29.168 3.633 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -10.075 -33.188 1.453 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -10.738 -33.313 0.748 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -9.916 -34.093 1.794 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 6.244 -28.679 0.580 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 6.382 -27.784 0.206 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 6.163 -28.522 1.543 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -9.340 -27.303 7.387 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -9.661 -27.166 6.463 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -8.940 -26.450 7.626 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -6.330 -29.027 2.932 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -6.590 -29.955 2.954 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -6.080 -28.827 3.859 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -7.881 -29.593 7.015 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -8.414 -28.778 7.157 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -7.120 -29.291 6.479 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -7.361 -27.618 0.786 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -6.832 -28.004 1.524 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -7.382 -28.318 0.122 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 0.257 -34.047 18.541 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -0.314 -34.839 18.452 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.341 -33.360 18.904 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.162 -34.916 21.278 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.718 -34.959 20.404 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -6.446 -35.091 21.920 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 1.283 -34.930 21.138 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 1.195 -34.640 20.212 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 0.508 -34.528 21.590 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -10.306 -33.593 16.951 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -10.298 -32.784 17.497 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -9.384 -33.929 17.012 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 0.281 -37.406 21.900 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 0.812 -36.618 21.667 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 0.213 -37.903 21.062 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -2.167 -35.990 15.949 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -1.913 -36.206 16.875 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -3.030 -36.405 15.835 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -11.323 -28.666 8.989 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -10.590 -28.215 8.530 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -11.146 -29.624 8.838 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 2.960 -30.973 22.224 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 2.118 -30.641 21.861 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 2.750 -31.892 22.509 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 3.287 -30.910 24.952 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 3.207 -30.707 23.999 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 3.073 -31.854 25.009 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -1.181 -31.811 19.240 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -1.965 -31.610 18.680 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -0.432 -31.448 18.733 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -4.681 -36.616 8.139 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -3.805 -36.638 7.690 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -4.465 -36.532 9.071 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -1.370 -36.259 18.541 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -1.858 -35.936 19.328 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -0.882 -37.049 18.868 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -3.482 -34.032 17.946 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -3.869 -33.228 17.513 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -2.941 -34.436 17.249 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -2.807 -34.952 20.530 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -3.006 -34.321 19.807 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -2.928 -34.425 21.350 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 0.141 -30.526 21.759 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 0.031 -30.922 22.655 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -0.381 -31.107 21.176 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 0.209 -35.575 14.647 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -0.709 -35.631 14.997 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 0.501 -36.488 14.606 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -7.610 -35.826 26.951 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -7.865 -36.010 26.021 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -7.517 -36.721 27.357 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -9.435 -36.015 13.596 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -9.285 -35.062 13.800 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -10.304 -36.025 13.154 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 4.652 -29.430 11.372 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 4.186 -28.851 10.720 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 4.775 -30.272 10.891 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -9.441 -31.267 24.174 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -9.041 -32.011 23.666 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -9.016 -31.329 25.065 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 5.397 -29.577 26.105 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 6.154 -29.955 25.608 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 4.608 -30.008 25.702 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.155 -36.510 7.040 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.593 -36.982 6.421 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.918 -35.564 6.905 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -5.743 -35.209 18.959 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -4.966 -34.748 18.574 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -5.377 -36.052 19.296 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -5.668 -38.096 13.774 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -6.202 -37.718 13.037 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -5.137 -38.776 13.356 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -0.180 -38.545 19.392 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 0.239 -39.234 18.867 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -1.071 -38.918 19.612 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -4.412 -37.136 20.416 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -3.783 -36.395 20.573 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -4.624 -37.460 21.302 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -1.337 -36.473 23.878 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -0.730 -36.951 23.264 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -2.197 -36.914 23.752 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -7.632 -34.178 29.200 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -7.539 -33.268 28.840 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -7.504 -34.759 28.419 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -2.686 -39.261 19.954 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -2.895 -39.587 20.855 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -3.374 -38.593 19.781 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -3.427 -39.588 22.574 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -3.629 -38.823 23.153 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -3.229 -40.303 23.187 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -5.340 -34.156 14.260 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -5.882 -34.901 14.589 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -5.585 -33.411 14.839 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -2.207 -31.679 26.103 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -2.835 -31.583 25.344 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -2.729 -32.155 26.774 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -7.714 -34.471 17.187 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -7.113 -34.672 17.936 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -7.463 -35.127 16.498 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -7.613 -38.240 28.193 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.502 -38.074 28.586 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.325 -39.060 28.601 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -6.716 -33.341 26.416 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -7.465 -32.729 26.585 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -7.103 -34.234 26.526 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.025 -31.453 24.362 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -0.833 -31.557 24.815 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 0.661 -31.349 25.085 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 7.438 -34.710 26.890 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 6.778 -35.352 27.229 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 6.957 -34.223 26.179 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 2.837 -31.431 15.432 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 3.614 -31.893 15.058 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 2.248 -32.157 15.735 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -0.648 -34.031 22.822 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -0.719 -34.892 23.282 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -1.568 -33.697 22.809 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -12.171 -34.350 15.095 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -11.796 -34.254 14.202 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -11.470 -33.980 15.691 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 0.913 -33.289 15.918 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 0.799 -33.510 16.870 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 0.743 -34.141 15.452 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -8.974 -33.369 13.800 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -8.297 -33.338 13.095 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -8.601 -32.808 14.510 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -3.973 -37.363 24.084 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -3.842 -37.168 25.023 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -4.591 -36.659 23.781 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -7.181 -32.269 15.645 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -7.479 -32.896 16.334 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -6.314 -31.951 15.973 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.773 -29.397 28.187 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 1.232 -30.123 27.798 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 2.677 -29.780 28.256 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -8.379 -35.987 24.315 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -8.186 -36.454 23.491 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -9.330 -36.187 24.490 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -6.871 -33.584 12.035 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -6.183 -33.784 12.705 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -6.603 -32.708 11.668 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -2.872 -33.038 14.621 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -3.417 -32.611 15.325 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -3.482 -33.683 14.215 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 2.143 -33.297 23.385 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 1.207 -33.188 23.638 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 2.129 -34.034 22.747 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -10.021 -37.584 29.231 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -10.042 -36.706 29.663 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -10.884 -37.664 28.817 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -7.033 -36.191 15.192 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -7.885 -36.272 14.722 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -6.502 -36.948 14.858 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -5.470 -35.193 23.415 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -5.969 -34.757 24.125 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -4.698 -34.588 23.256 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -7.361 -36.922 11.995 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -8.134 -36.712 12.558 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -7.458 -36.328 11.234 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 0.190 -31.465 27.373 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 0.149 -32.260 27.914 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -0.698 -31.417 26.950 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -2.945 -34.837 25.469 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -2.203 -35.364 25.113 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -3.157 -34.209 24.743 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 6.074 -36.426 28.587 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 6.763 -36.071 29.179 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 5.738 -37.198 29.049 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 4.234 -32.962 11.737 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 4.571 -32.757 12.630 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 3.322 -33.222 11.882 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 5.748 -31.329 22.254 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.799 -31.088 22.272 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 5.990 -31.256 21.324 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 7.293 -30.703 24.438 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 8.194 -30.470 24.120 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 6.778 -30.851 23.610 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -8.799 -33.554 22.910 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -8.284 -33.887 22.139 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -8.735 -34.274 23.562 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 0.011 -26.260 35.894 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -0.098 -26.824 36.694 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 0.981 -26.257 35.730 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -5.253 -28.823 32.370 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -5.346 -29.789 32.534 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -6.167 -28.504 32.313 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -11.208 -32.158 37.447 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -10.890 -31.966 38.348 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -10.754 -31.496 36.893 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 1.725 -24.119 33.575 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 2.335 -23.354 33.570 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 2.100 -24.721 34.247 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -1.755 -32.921 35.352 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -0.957 -32.694 35.829 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -1.975 -32.112 34.853 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -4.069 -31.314 29.475 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -4.573 -31.769 30.161 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -3.984 -31.977 28.759 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -6.058 -33.698 34.171 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -5.412 -34.371 34.422 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -6.652 -34.158 33.538 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 6.559 -31.058 30.220 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 7.226 -30.899 29.509 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 6.886 -31.865 30.673 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -14.610 -26.653 37.883 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -14.772 -27.538 38.275 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -15.209 -26.622 37.113 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -4.304 -29.747 35.596 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -3.683 -30.109 34.930 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -5.007 -30.440 35.670 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -2.160 -30.553 34.005 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -2.006 -30.778 33.076 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.744 -29.671 34.109 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 4.906 -29.612 31.981 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.995 -29.753 31.641 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 5.467 -30.154 31.389 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -5.756 -31.516 32.426 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -5.699 -32.215 33.109 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -6.636 -31.653 32.019 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -9.941 -35.065 30.343 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -9.674 -35.096 31.275 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -9.135 -34.736 29.877 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -3.827 -26.640 38.596 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -3.490 -27.512 38.312 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -4.793 -26.735 38.559 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -6.497 -28.168 35.816 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -5.629 -28.624 35.787 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -6.507 -27.725 36.685 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 2.320 -30.070 31.076 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 1.387 -30.243 31.317 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 2.440 -30.534 30.234 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -7.594 -34.495 32.027 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -7.867 -33.569 31.862 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -7.244 -34.790 31.170 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -3.013 -29.129 30.790 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -3.778 -28.966 31.390 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -3.321 -29.865 30.207 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -8.112 -29.747 34.367 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -7.500 -29.144 34.857 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.106 -29.401 33.456 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 4.330 -30.326 28.593 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 5.074 -30.663 29.129 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 4.750 -30.044 27.752 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.480 -29.851 31.657 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -0.502 -29.299 32.462 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -1.325 -29.644 31.203 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -6.371 -31.478 35.724 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -7.163 -31.087 35.318 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -6.310 -32.369 35.322 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -4.077 -33.278 27.439 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -5.001 -33.314 27.117 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -3.608 -33.943 26.883 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 2.694 -26.148 35.270 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 3.195 -26.854 34.816 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 3.301 -25.842 35.979 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -10.007 -29.930 36.300 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -9.595 -29.538 37.089 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -9.279 -29.962 35.639 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -0.524 -27.871 38.039 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -0.593 -27.610 38.962 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -1.370 -28.337 37.857 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -2.936 -29.151 37.835 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.376 -29.285 36.961 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.141 -29.956 38.326 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 4.337 -28.366 34.354 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 4.616 -28.690 33.463 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 4.026 -29.159 34.804 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -3.600 -18.589 -10.310 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -2.775 -19.085 -10.406 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -4.281 -19.181 -10.699 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -5.973 -13.741 -14.239 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -5.078 -14.083 -14.007 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -6.581 -14.463 -13.972 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -7.599 -14.417 -18.051 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -6.678 -14.267 -17.748 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -7.869 -15.254 -17.591 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.597 -14.679 -15.615 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -1.316 -15.566 -15.865 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.706 -14.213 -16.464 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -2.288 -18.010 -14.337 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -2.990 -18.629 -14.053 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -1.591 -18.111 -13.655 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -0.843 -10.969 -18.670 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -0.030 -11.274 -19.083 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -1.362 -11.787 -18.532 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -0.453 -17.526 -9.627 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 0.238 -17.135 -9.067 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -0.998 -16.759 -9.896 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -4.098 -16.588 -15.827 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -4.030 -15.989 -15.055 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -3.379 -17.237 -15.681 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -3.612 -14.897 -13.700 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -3.407 -15.308 -12.836 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -2.736 -14.795 -14.135 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 1.737 -12.171 -10.432 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 2.147 -13.040 -10.523 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 2.196 -11.622 -11.078 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.641 -15.668 -13.112 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -7.393 -16.043 -12.237 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -8.177 -16.369 -13.527 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -2.530 -13.115 -17.882 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -3.305 -13.683 -18.018 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -2.875 -12.367 -17.355 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.006 -13.358 -12.662 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -9.240 -12.914 -13.513 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -8.562 -14.192 -12.940 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.443 -6.566 -20.655 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -9.068 -6.877 -21.509 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.057 -5.849 -20.908 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.772 -16.018 -11.142 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.660 -16.970 -10.923 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -4.730 -15.888 -11.141 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -5.705 -19.200 -6.572 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -5.001 -18.647 -6.952 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -5.636 -19.044 -5.611 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -10.642 -17.627 -15.664 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -10.490 -17.476 -14.699 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -10.935 -18.542 -15.716 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -2.445 -22.641 -8.813 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -1.894 -23.421 -8.925 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -1.880 -22.020 -8.304 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -7.259 -16.647 -10.535 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -8.081 -17.176 -10.486 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -6.972 -16.565 -9.606 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -4.248 -19.830 -13.599 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -3.974 -20.704 -13.894 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -4.763 -20.003 -12.782 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -5.463 -20.389 -11.208 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -6.325 -20.089 -10.877 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -5.265 -21.186 -10.663 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -5.099 -14.227 -16.911 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -4.734 -15.121 -16.736 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -5.439 -13.936 -16.042 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -10.201 -17.092 -13.055 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -9.987 -17.553 -12.218 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -10.635 -16.268 -12.767 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -1.009 -12.252 -10.267 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -0.029 -12.220 -10.203 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -1.314 -12.181 -9.345 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.447 -18.409 -12.290 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -0.407 -18.201 -11.336 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 0.453 -18.670 -12.514 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -8.587 -11.356 -19.198 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -7.995 -12.011 -19.594 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -9.479 -11.652 -19.466 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -2.279 -7.541 -19.687 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -2.212 -8.037 -18.838 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -1.656 -7.989 -20.271 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -7.220 -8.213 -19.945 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -6.347 -7.767 -19.984 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -7.857 -7.481 -19.836 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.559 -14.972 -9.952 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -2.403 -15.262 -10.368 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -1.430 -14.060 -10.287 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -5.107 -22.394 -9.379 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -4.158 -22.401 -9.099 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -5.385 -23.313 -9.288 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -8.337 -14.170 -20.628 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -8.026 -14.332 -19.706 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -7.945 -14.886 -21.139 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -6.212 -9.859 -8.626 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -5.536 -9.624 -9.303 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -6.424 -8.994 -8.191 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 1.079 -12.790 -7.307 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 1.827 -12.308 -7.677 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 1.225 -12.755 -6.335 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 0.367 -15.315 -8.028 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -0.377 -15.163 -8.649 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 0.656 -14.409 -7.775 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.533 -19.547 -8.244 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -8.616 -19.873 -8.410 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -9.965 -20.283 -7.794 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -6.644 -12.584 -11.455 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -7.524 -12.868 -11.768 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -6.046 -12.827 -12.174 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -4.040 -17.379 -7.857 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -4.891 -16.897 -7.922 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.926 -17.784 -8.746 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -6.382 -18.030 -15.291 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -5.974 -18.691 -14.718 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -5.625 -17.510 -15.630 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -1.602 -18.556 -7.250 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -1.099 -18.302 -8.047 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -2.452 -18.077 -7.344 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 2.131 -18.117 -5.907 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 1.354 -17.539 -5.724 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 2.727 -17.557 -6.419 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -6.975 -20.411 -8.639 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -6.568 -19.963 -7.858 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -6.383 -21.170 -8.811 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -2.468 -21.930 -5.336 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -1.837 -21.784 -6.069 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -2.658 -21.038 -5.009 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -12.759 -8.542 -20.658 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -13.250 -9.374 -20.687 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -12.424 -8.432 -21.560 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -10.121 -13.456 -17.338 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -9.217 -13.769 -17.550 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -10.503 -13.228 -18.206 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -8.306 -16.599 -16.681 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -7.653 -17.161 -16.212 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.172 -16.980 -16.431 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -2.521 -10.261 -11.502 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -2.076 -11.079 -11.203 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -1.825 -9.581 -11.460 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -0.662 -8.143 -11.151 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -0.522 -7.597 -11.966 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 0.204 -8.522 -10.973 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -1.325 -6.796 -15.689 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -1.529 -7.608 -16.204 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -2.198 -6.485 -15.372 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 0.110 -6.802 -13.363 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -0.387 -6.851 -14.212 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 0.920 -6.337 -13.593 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -10.671 -12.950 -20.087 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -9.863 -13.411 -20.421 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -11.384 -13.303 -20.630 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -13.167 -17.775 -2.872 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -13.435 -17.649 -1.934 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -13.436 -18.679 -3.069 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -1.135 -9.643 1.250 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -1.581 -10.497 1.261 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -1.131 -9.368 2.176 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 0.545 -22.784 -2.928 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 0.801 -23.527 -2.339 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 1.394 -22.494 -3.319 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 1.535 -24.573 -1.114 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 0.776 -25.123 -0.830 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 2.329 -25.101 -0.843 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -9.812 -12.095 -4.970 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -10.302 -11.296 -5.253 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -10.384 -12.835 -5.243 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.258 -19.212 -4.522 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -1.378 -19.379 -4.110 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -2.041 -18.793 -5.381 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 0.470 -14.866 -3.115 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 1.283 -15.315 -2.799 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 0.206 -15.384 -3.903 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -7.875 -15.831 -3.132 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -7.280 -15.904 -3.904 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -8.727 -16.200 -3.450 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -3.052 -10.774 -0.919 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -2.665 -11.487 -1.472 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -2.448 -10.015 -1.048 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 0.563 -8.886 -3.291 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 1.429 -9.271 -3.517 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.732 -7.915 -3.290 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 2.452 -18.733 -3.231 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 2.435 -18.610 -4.203 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 2.514 -17.814 -2.878 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -3.977 -26.394 -5.633 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -3.292 -25.735 -5.393 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -3.635 -26.812 -6.425 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 1.119 -22.149 0.134 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 0.546 -22.553 0.815 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 1.523 -22.917 -0.319 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -12.047 -24.228 3.659 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -11.298 -24.186 3.044 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -12.391 -25.137 3.552 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -10.484 -16.628 -3.780 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -11.142 -16.892 -3.116 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -10.859 -16.938 -4.617 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.220 -22.270 0.203 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -3.387 -22.471 -0.265 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -4.855 -22.934 -0.141 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -5.728 -19.981 -1.764 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -4.787 -20.277 -1.786 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -6.233 -20.800 -1.811 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -5.795 -16.081 -5.093 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -5.509 -16.930 -4.686 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -5.223 -15.409 -4.668 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 5.549 -10.921 11.439 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 6.383 -10.403 11.420 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 5.780 -11.762 10.995 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -0.210 -19.805 -0.411 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -0.115 -19.770 -1.382 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.326 -20.583 -0.147 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -6.019 -24.221 -0.731 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -6.949 -24.466 -0.558 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -5.833 -24.593 -1.612 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -0.691 -21.161 -7.259 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -0.935 -20.212 -7.229 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 0.196 -21.195 -6.828 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 1.664 -20.869 -5.827 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 1.911 -19.926 -5.920 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.250 -21.202 -5.122 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 6.427 -21.771 -0.977 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 6.239 -22.058 -0.052 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 5.577 -21.401 -1.287 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 3.853 -11.355 -3.904 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 3.109 -11.953 -4.104 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 4.449 -11.890 -3.340 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -9.388 -16.779 -7.801 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -9.350 -17.759 -7.770 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -10.303 -16.587 -8.078 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 1.376 -12.665 -4.553 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 1.170 -13.470 -4.032 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 0.610 -12.078 -4.390 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 2.826 -16.151 -2.516 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 2.775 -16.063 -1.539 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 3.731 -15.823 -2.733 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -2.836 -12.537 -7.915 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -2.790 -13.498 -7.997 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -3.773 -12.363 -7.660 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -4.071 -14.195 -3.912 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -3.410 -13.835 -3.286 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -4.665 -13.434 -4.092 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -6.639 -16.270 -7.744 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -7.594 -16.477 -7.661 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -6.343 -16.142 -6.814 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -0.026 -20.037 -3.148 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 0.885 -19.679 -3.216 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 0.095 -21.010 -3.182 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -2.076 -12.924 -2.351 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -1.416 -13.578 -2.064 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -1.598 -12.375 -3.014 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -3.104 -20.468 -2.147 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -2.665 -20.169 -2.965 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -2.584 -21.256 -1.869 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -1.673 -22.517 -1.093 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -1.333 -22.839 -0.231 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -0.907 -22.600 -1.697 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -5.741 -11.959 -4.058 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -5.476 -11.083 -3.717 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -6.332 -12.307 -3.362 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -4.371 -25.350 -3.043 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -3.641 -24.837 -3.441 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -4.658 -25.942 -3.764 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -5.368 -11.913 -6.936 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -5.629 -11.022 -7.235 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -5.594 -11.925 -5.982 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 6.816 -13.464 3.329 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 7.155 -13.584 2.417 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 6.214 -12.697 3.257 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -1.930 -10.406 -6.461 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -2.288 -11.229 -6.869 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -1.340 -10.049 -7.134 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -2.620 -16.028 -5.441 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -3.293 -16.277 -6.093 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -3.067 -15.363 -4.877 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 0.084 -16.301 -5.489 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 0.241 -15.912 -6.375 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -0.898 -16.331 -5.414 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -4.941 -18.445 -3.982 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -5.269 -18.951 -3.208 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -4.002 -18.716 -4.067 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -3.538 -8.862 -4.806 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -2.994 -9.417 -5.406 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -4.252 -8.532 -5.370 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 5.370 -11.143 2.717 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 6.031 -10.535 2.363 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 4.958 -10.642 3.461 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 4.613 -9.550 4.853 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 5.266 -8.862 5.097 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 4.189 -9.784 5.697 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 5.372 -15.218 -2.477 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 5.563 -14.259 -2.471 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 6.079 -15.608 -1.923 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 7.139 -16.411 -0.715 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 7.502 -17.266 -1.003 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.903 -16.560 0.227 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 4.143 -20.221 -1.625 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 3.939 -19.997 -0.702 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.565 -19.620 -2.152 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 3.109 -21.921 -3.577 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 3.782 -22.605 -3.679 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.437 -21.371 -2.834 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -12.392 -21.779 2.593 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -12.498 -22.655 3.028 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -11.542 -21.857 2.120 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 1.962 -6.548 -3.251 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 2.601 -7.231 -3.542 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 2.509 -5.861 -2.861 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.935 -11.671 8.499 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.683 -11.275 8.981 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.143 -12.627 8.483 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -4.495 -10.732 7.423 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -3.718 -10.893 8.003 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -4.236 -9.943 6.900 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -2.309 -10.641 4.441 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -2.693 -9.885 4.929 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -1.446 -10.797 4.885 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 0.118 -10.863 5.877 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 0.306 -11.257 6.749 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 0.644 -10.044 5.871 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -0.878 -23.646 1.327 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -1.211 -23.893 2.198 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -0.794 -24.500 0.851 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 4.428 -24.454 2.527 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 4.011 -25.285 2.277 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 4.438 -24.474 3.518 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 6.340 -25.968 0.126 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 6.671 -25.694 1.005 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 6.820 -25.384 -0.502 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -9.912 -23.063 1.836 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -9.120 -22.883 2.379 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -9.607 -23.724 1.185 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -3.431 -25.570 -0.484 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -4.225 -25.257 -0.030 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -3.692 -25.587 -1.431 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 3.580 -26.143 -0.298 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 3.487 -27.121 -0.340 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 4.538 -26.002 -0.148 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -2.189 -24.513 -4.649 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -1.301 -24.472 -4.271 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -2.384 -23.576 -4.904 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -0.866 -11.163 -4.044 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -0.457 -10.322 -3.747 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.307 -10.928 -4.889 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 3.399 -8.719 -4.190 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 3.620 -9.665 -3.997 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 4.003 -8.477 -4.898 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 7.892 -17.781 24.752 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 8.626 -18.416 24.606 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 7.501 -17.659 23.863 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -3.694 -14.144 28.132 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -2.759 -13.968 27.941 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -4.167 -13.390 27.729 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 4.038 -12.172 26.776 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 3.338 -12.437 26.135 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 4.178 -12.979 27.319 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -6.766 -10.760 25.409 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -6.110 -11.278 25.912 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -7.172 -10.177 26.077 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 2.485 -5.562 28.636 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.192 -6.472 28.857 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 3.421 -5.667 28.381 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 6.316 -16.269 28.162 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 5.487 -15.772 28.026 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 6.205 -17.072 27.629 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -4.637 -8.269 20.819 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -5.521 -7.845 20.794 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -4.046 -7.560 21.160 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -3.357 -15.684 30.368 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -3.626 -15.203 29.552 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -2.374 -15.662 30.345 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -5.104 -9.182 13.941 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -5.715 -8.785 13.293 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -4.992 -8.488 14.618 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 5.453 -10.187 25.314 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 4.957 -9.534 25.852 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.158 -11.052 25.665 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 6.887 -15.049 30.519 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 6.794 -15.501 29.645 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 7.833 -15.065 30.694 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 6.558 -19.031 26.788 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 6.774 -19.949 26.526 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 7.005 -18.478 26.108 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 7.019 -21.798 26.377 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 6.438 -22.480 25.980 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 7.048 -22.030 27.313 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -4.846 -10.098 29.248 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -5.809 -9.983 29.424 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -4.481 -10.392 30.112 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -2.483 -14.859 23.159 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -3.397 -15.025 23.410 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -2.490 -14.907 22.181 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -7.784 -8.762 27.138 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -8.535 -8.391 26.616 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -7.118 -8.065 27.116 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -2.652 -11.760 21.326 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -2.612 -12.717 21.460 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -3.533 -11.611 20.920 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -0.921 -7.452 19.954 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -0.001 -7.519 19.615 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -1.180 -6.527 19.756 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -7.162 -13.114 21.451 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -6.825 -13.998 21.275 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -8.093 -13.265 21.732 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 4.038 -14.392 28.490 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 4.391 -13.928 29.279 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 3.282 -14.897 28.832 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -1.874 -16.484 33.198 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -1.172 -15.828 33.287 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -2.094 -16.729 34.121 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -0.900 -18.151 37.092 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -0.141 -17.540 37.113 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.588 -17.663 36.595 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -12.178 -23.370 36.664 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -11.643 -22.882 35.994 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -13.075 -22.988 36.571 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -8.563 -20.988 36.604 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -8.141 -21.029 37.495 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -7.845 -20.692 36.013 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 2.706 -19.335 36.749 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 3.041 -20.065 37.281 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 2.103 -19.765 36.106 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -3.642 -26.152 34.129 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -4.175 -25.829 34.883 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -4.076 -26.978 33.868 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 1.210 -21.194 35.253 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 0.744 -22.052 35.407 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 1.975 -21.439 34.684 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -10.689 -22.132 38.620 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -10.119 -21.540 38.100 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -11.221 -22.604 37.945 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -3.505 -21.214 37.708 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -2.538 -21.092 37.562 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -3.618 -22.187 37.749 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -7.757 -27.364 41.294 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -7.631 -27.290 42.243 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -7.475 -26.491 40.944 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -0.635 -15.392 29.883 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 0.316 -15.500 30.052 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -0.675 -14.924 29.025 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -0.202 -23.448 36.018 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -0.202 -24.416 36.141 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -0.810 -23.120 36.696 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -4.930 -23.096 40.438 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -4.463 -23.413 39.635 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -5.173 -22.174 40.222 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -12.475 -16.625 35.255 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -12.445 -15.998 34.504 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -12.578 -16.062 36.028 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -3.897 -23.963 38.009 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -4.468 -24.203 37.246 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -3.585 -24.832 38.350 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 1.404 -14.435 32.813 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 1.741 -14.891 32.018 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 1.646 -15.034 33.556 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 2.017 -16.067 34.926 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 1.732 -16.955 34.605 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 1.844 -16.098 35.889 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -4.642 -19.205 36.188 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -5.335 -19.646 35.650 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -4.245 -19.936 36.714 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -5.042 -20.394 39.822 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -4.440 -20.450 39.047 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -4.439 -20.279 40.587 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 6.314 -26.766 35.420 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 6.466 -26.058 34.752 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.712 -27.397 34.968 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -6.656 -20.282 34.629 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -6.483 -21.053 34.074 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -6.959 -19.597 33.996 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.080 -11.885 33.143 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 4.124 -11.894 33.358 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.509 -11.665 33.974 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 2.664 -11.589 30.720 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.453 -12.173 30.657 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 2.504 -11.512 31.683 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -8.657 -28.644 38.991 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -9.124 -29.472 39.218 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -8.431 -28.251 39.864 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -7.586 -21.085 39.121 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -7.876 -21.661 39.849 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -6.731 -20.714 39.432 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 1.258 -18.508 34.077 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 1.076 -18.385 33.125 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 0.996 -19.427 34.256 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -5.487 -25.224 36.114 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -6.076 -25.727 36.706 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -5.960 -25.215 35.253 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -0.867 -20.843 37.192 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -0.931 -19.862 37.272 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.139 -20.980 36.563 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -3.519 -21.135 42.016 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -3.844 -22.006 41.730 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -3.146 -21.293 42.886 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.967 -17.086 35.603 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -3.493 -17.892 35.805 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -3.637 -16.388 35.489 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 4.048 -24.729 30.156 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 3.729 -23.810 30.069 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 4.797 -24.658 30.766 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -5.868 -16.763 36.490 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -5.466 -17.656 36.422 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -6.468 -16.832 37.240 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -4.180 -13.790 32.208 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -4.242 -14.299 33.042 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -3.859 -14.446 31.553 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 4.687 -20.135 31.967 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 5.434 -19.765 31.451 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 4.304 -19.364 32.411 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 2.341 -11.988 33.447 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 1.727 -11.703 34.132 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 2.027 -12.896 33.206 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -4.861 -14.978 34.680 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -4.833 -14.059 35.024 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -5.352 -15.481 35.370 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 2.257 -15.858 30.528 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 3.189 -16.143 30.691 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 1.721 -16.615 30.847 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -4.272 -12.220 34.850 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -4.374 -11.251 34.785 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -3.564 -12.424 34.231 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -4.673 -17.314 32.246 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -3.959 -17.200 32.891 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -4.359 -16.823 31.459 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -1.178 -25.327 33.377 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -2.063 -25.570 33.729 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.708 -24.957 34.145 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -4.272 -9.504 33.897 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -3.537 -8.945 33.548 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -4.936 -8.868 34.183 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 1.603 -16.921 37.494 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 2.009 -17.791 37.280 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 1.735 -16.825 38.442 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -3.885 -11.076 31.624 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -4.044 -12.030 31.803 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -4.153 -10.628 32.454 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -6.726 -26.758 38.185 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.417 -27.427 38.399 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -6.851 -26.061 38.868 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 4.995 -13.075 30.728 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 5.745 -13.707 30.675 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 5.127 -12.621 31.594 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -7.159 -18.614 32.419 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -7.123 -19.094 31.583 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -6.337 -18.069 32.419 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 4.412 -19.722 28.307 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 4.289 -20.562 27.829 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 5.168 -19.298 27.852 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -2.355 -7.998 32.558 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -2.141 -8.648 31.852 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -1.855 -7.212 32.308 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -6.931 -14.633 32.594 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -6.260 -14.058 32.190 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -6.443 -15.110 33.286 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 6.654 -19.126 34.278 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 6.180 -19.948 34.436 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 6.036 -18.430 34.601 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 4.767 -16.822 31.079 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 5.340 -17.593 30.913 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 5.387 -16.072 31.118 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 3.722 -22.002 30.142 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 3.750 -21.753 29.203 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 3.861 -21.157 30.618 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 4.443 -17.786 35.178 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 3.855 -18.318 35.747 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 3.902 -17.021 34.928 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 3.427 -21.920 33.798 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 4.077 -22.329 34.417 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 3.980 -21.423 33.161 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 4.984 -23.310 35.571 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 4.791 -23.952 36.280 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 5.666 -23.752 35.028 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -7.034 -24.921 40.282 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -6.251 -24.355 40.458 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -7.795 -24.301 40.350 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -12.395 -23.321 40.562 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -11.918 -22.644 40.048 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -12.273 -24.143 40.040 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -17.047 -25.610 40.553 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -16.256 -25.045 40.677 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -17.800 -24.983 40.617 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -2.237 -26.445 30.615 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -2.456 -27.397 30.595 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -2.193 -26.186 29.678 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 4.601 -25.581 37.190 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 5.312 -26.051 36.699 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 4.694 -25.889 38.098 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -0.910 -28.091 33.844 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -1.245 -27.304 33.372 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -0.601 -27.734 34.698 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 0.157 -11.518 29.568 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 1.052 -11.508 29.977 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -0.135 -12.433 29.662 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -8.267 -2.655 -13.429 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -8.602 -2.583 -12.509 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -7.818 -1.805 -13.588 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -12.909 -2.234 -20.286 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -12.254 -2.208 -19.543 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -12.799 -1.383 -20.725 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -10.935 -2.252 -18.456 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -9.982 -2.178 -18.673 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -10.984 -1.987 -17.508 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -2.426 -5.398 -17.867 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -1.733 -5.642 -17.226 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -2.191 -5.893 -18.674 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -8.430 -3.483 -15.962 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -8.312 -3.280 -15.004 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -7.649 -4.025 -16.188 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -4.112 -3.502 -16.505 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.506 -3.769 -17.223 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.616 -2.745 -16.881 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -7.235 0.096 -11.726 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -8.173 0.241 -11.520 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -6.765 0.372 -10.914 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -1.979 -8.890 -17.354 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -2.666 -9.425 -16.913 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -1.398 -9.563 -17.785 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -6.908 -0.346 -14.336 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -5.998 -0.173 -14.602 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -6.930 -0.099 -13.377 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -9.432 0.575 -14.868 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.485 0.339 -14.787 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -9.757 0.584 -13.935 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -12.820 -1.510 -14.389 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -11.977 -1.658 -14.875 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -13.027 -0.563 -14.561 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -10.224 0.409 -12.277 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -10.077 0.811 -11.388 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -11.031 -0.108 -12.172 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -6.308 -5.131 -16.355 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -5.786 -5.941 -16.552 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -5.634 -4.419 -16.324 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -2.612 -7.056 -9.513 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -1.981 -7.310 -10.223 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -2.058 -6.951 -8.732 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -3.499 -5.407 -14.660 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -3.000 -4.942 -13.979 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -3.724 -4.704 -15.315 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.221 -1.831 -17.194 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.893 -1.908 -17.901 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.738 -1.636 -16.400 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -11.436 -4.584 -20.920 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -11.917 -3.735 -20.877 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -12.036 -5.218 -20.470 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -8.229 -1.805 -19.226 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -8.020 -0.955 -19.626 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -8.425 -2.391 -19.995 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -7.628 2.251 -8.224 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -6.945 1.675 -8.631 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -7.134 2.820 -7.629 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -9.123 -3.152 -21.416 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -9.901 -3.717 -21.230 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -8.979 -3.249 -22.362 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -5.825 -6.434 -13.514 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -5.004 -6.035 -13.873 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -6.050 -7.128 -14.155 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -10.999 2.530 -15.962 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -10.410 3.125 -16.429 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -10.402 1.848 -15.580 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -8.187 -6.420 -17.851 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -7.609 -5.824 -17.330 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.746 -5.819 -18.364 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -13.729 1.867 -9.813 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -13.621 2.504 -9.074 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -13.067 2.142 -10.460 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -9.612 1.257 -9.809 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -10.362 1.351 -9.183 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -8.862 1.682 -9.341 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -9.279 -2.569 -10.849 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -10.059 -2.077 -10.523 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -8.603 -2.413 -10.178 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -4.893 -5.558 -8.670 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -5.544 -5.735 -9.384 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -4.094 -6.041 -8.955 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -6.240 -6.630 -10.840 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -6.108 -6.404 -11.786 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -5.769 -7.479 -10.732 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -5.699 0.820 -9.521 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.310 0.012 -9.102 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -4.932 1.316 -9.830 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -11.532 -1.618 -9.477 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -11.220 -1.084 -8.729 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -11.669 -2.511 -9.096 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -4.875 -3.498 -6.874 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -4.374 -3.873 -6.139 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -4.905 -4.223 -7.542 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -4.579 -8.782 -10.520 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -4.038 -9.441 -11.016 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -3.914 -8.163 -10.150 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -6.814 -7.493 -7.540 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -6.380 -6.626 -7.575 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -7.754 -7.297 -7.733 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -10.534 -1.747 -15.840 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -10.118 -0.898 -15.575 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.785 -2.386 -15.866 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -7.991 -7.888 -22.607 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -7.623 -8.259 -21.781 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -7.536 -8.368 -23.306 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -4.700 -7.031 -17.384 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.936 -7.026 -18.332 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -3.855 -6.545 -17.349 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -10.577 -8.406 -18.905 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -11.377 -8.566 -19.436 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -10.070 -7.755 -19.432 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -4.882 -6.815 -20.118 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -4.821 -6.025 -20.669 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -3.957 -7.148 -20.070 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -6.603 -2.343 3.865 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.260 -2.882 4.342 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -6.492 -1.545 4.435 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -10.918 -0.197 1.969 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -9.972 -0.054 1.830 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -11.097 0.208 2.828 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.011 -4.725 4.130 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -5.264 -3.875 4.532 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.399 -4.686 3.239 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -3.681 -2.981 0.225 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -3.669 -3.542 -0.584 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -2.815 -2.563 0.233 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -7.242 -11.318 7.388 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -7.634 -10.707 6.761 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -6.329 -10.990 7.506 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -8.396 -7.400 1.146 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -7.820 -7.828 0.468 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -8.952 -8.135 1.488 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -0.990 -8.160 7.220 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -0.031 -8.322 7.095 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -1.115 -7.230 6.925 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -9.901 -3.554 -5.247 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -8.983 -3.844 -5.452 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -9.788 -2.874 -4.551 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 1.682 -8.602 6.512 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 2.172 -7.959 5.990 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 2.380 -9.152 6.933 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -5.530 -6.703 6.128 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -5.322 -5.955 5.533 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -6.228 -7.186 5.666 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -7.474 -3.820 -0.815 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -6.947 -3.685 -0.006 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -7.852 -2.953 -1.001 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -6.606 -0.586 5.918 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -6.559 0.206 6.459 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -6.725 -1.317 6.568 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -7.300 -4.283 -5.641 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.608 -3.817 -6.140 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -6.878 -4.483 -4.775 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -5.111 -6.101 0.310 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -5.370 -5.288 0.779 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -4.199 -6.287 0.631 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -6.212 -4.583 -3.148 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -6.764 -4.399 -2.360 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -5.299 -4.604 -2.799 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -0.199 -6.157 2.193 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -0.723 -6.057 3.006 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 0.700 -6.304 2.505 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -4.397 -1.327 -8.513 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -3.628 -1.786 -8.860 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -4.754 -1.941 -7.833 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -2.680 -6.031 3.524 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -3.516 -5.564 3.740 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -2.801 -6.321 2.598 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -5.896 -3.652 1.559 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -5.076 -3.278 1.140 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -6.130 -2.993 2.258 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -11.362 1.678 -7.773 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -10.825 1.901 -7.006 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -12.119 2.297 -7.723 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -7.022 -2.847 7.383 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -7.390 -3.448 6.706 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -6.948 -3.397 8.176 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.197 -1.595 -3.359 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -10.946 -1.859 -2.777 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -10.549 -0.867 -3.878 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -1.535 -5.792 6.006 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -1.950 -5.994 5.141 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -1.640 -4.841 6.103 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -3.845 -4.839 -1.777 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -3.302 -5.443 -2.337 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -4.299 -5.439 -1.154 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -2.672 -6.913 -3.043 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -2.156 -7.477 -2.434 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -2.920 -7.513 -3.771 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -6.718 -8.032 -0.880 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -6.077 -7.355 -0.577 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -6.203 -8.595 -1.491 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -3.452 -8.627 6.037 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -2.621 -8.382 6.499 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -4.019 -7.834 6.123 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -4.683 -12.060 5.026 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.847 -11.723 4.643 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.691 -11.694 5.931 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 3.113 -10.476 10.176 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 2.511 -10.119 10.837 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 3.955 -10.613 10.668 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -6.504 -4.062 10.288 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.739 -3.174 10.583 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -6.002 -4.442 11.048 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -1.857 -10.571 8.418 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -1.012 -11.022 8.579 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -1.598 -9.698 8.063 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -1.919 -9.947 13.033 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -2.124 -9.899 12.091 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -1.433 -9.115 13.215 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -7.809 -5.290 2.691 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.022 -6.118 2.191 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -7.213 -4.800 2.094 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 8.016 -9.735 11.174 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 8.423 -10.492 10.707 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 7.770 -9.110 10.451 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 7.090 -8.413 9.009 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 6.565 -7.726 8.584 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 7.227 -9.079 8.305 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -8.840 -6.463 6.824 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -9.659 -6.478 7.374 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -8.113 -6.532 7.480 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 6.634 -7.918 5.849 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 6.990 -8.769 6.186 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 7.416 -7.382 5.686 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -2.480 -6.619 0.778 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -1.592 -6.370 1.126 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -2.283 -7.228 0.046 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 1.833 -13.338 0.553 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 0.990 -13.258 0.092 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 2.214 -14.172 0.213 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -1.339 -8.593 -1.281 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -0.565 -8.732 -1.870 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -1.019 -8.871 -0.392 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -5.029 -9.649 -2.563 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -4.417 -9.266 -3.222 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -4.439 -10.030 -1.881 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -6.945 -6.331 8.812 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -6.759 -5.513 9.330 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -6.143 -6.463 8.276 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -6.875 -7.595 12.451 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -6.288 -6.842 12.244 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -7.479 -7.647 11.682 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 5.519 -12.211 7.571 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 5.894 -12.963 7.085 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 5.576 -12.488 8.515 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 5.285 -7.066 21.277 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 5.861 -6.328 20.993 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 5.452 -7.148 22.237 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 0.837 -5.376 21.370 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 0.188 -5.619 22.056 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 1.512 -6.082 21.418 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -4.777 -3.814 16.051 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -5.524 -4.254 15.594 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -3.996 -4.098 15.557 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 1.196 -4.100 17.227 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 1.009 -3.719 18.115 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 1.239 -3.333 16.644 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 4.035 -8.320 26.674 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 3.878 -8.889 27.467 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 4.435 -7.502 27.040 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -4.841 -4.277 21.173 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -5.155 -4.082 20.263 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -4.119 -3.632 21.318 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 1.648 -7.764 18.835 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.468 -8.196 18.500 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.205 -7.439 18.026 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -5.588 -3.633 18.618 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -5.161 -3.632 17.727 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -6.200 -2.890 18.585 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 0.885 -8.868 23.068 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 1.562 -8.448 22.489 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 1.165 -8.630 23.974 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 3.016 -2.085 26.469 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 3.097 -1.826 27.391 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 2.397 -2.849 26.486 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -3.030 -6.267 21.772 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -3.666 -5.532 21.641 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -2.333 -5.884 22.351 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 3.228 -5.763 24.979 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 2.633 -6.527 25.040 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 2.700 -5.023 25.349 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -0.467 -7.605 13.615 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 0.125 -8.048 14.235 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -0.036 -6.729 13.462 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 2.134 -2.457 21.986 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 2.405 -1.788 22.660 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 2.835 -3.125 22.021 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 1.439 -4.297 26.498 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 0.596 -4.753 26.301 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 1.720 -4.679 27.365 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 0.666 -3.252 19.749 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 1.163 -2.593 20.269 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 0.734 -4.077 20.290 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -9.251 -6.968 21.859 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -9.814 -6.258 22.183 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -9.529 -7.754 22.382 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -8.557 -7.582 14.636 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -9.409 -7.847 14.258 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -7.922 -7.691 13.894 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 2.787 -0.869 24.054 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 2.935 -1.357 24.898 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 3.078 0.027 24.248 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -6.092 -6.334 18.216 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -6.320 -6.568 19.143 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -5.863 -5.385 18.264 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -1.699 -4.722 19.141 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -0.885 -4.184 19.144 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -2.236 -4.335 19.852 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -6.606 -5.515 14.849 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -6.040 -6.208 15.254 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -7.495 -5.915 14.834 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -2.452 -2.887 21.275 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -2.391 -1.978 20.961 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -1.741 -2.956 21.948 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 2.533 -7.343 15.389 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 3.008 -6.679 15.933 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 3.247 -7.857 14.971 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 0.727 -5.135 13.449 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 0.383 -4.354 13.009 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 1.580 -4.836 13.836 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 0.272 -6.632 16.660 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 0.979 -6.947 16.052 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 0.512 -5.696 16.839 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -2.418 -6.005 16.615 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -2.438 -5.504 17.454 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -1.500 -6.357 16.574 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -0.337 -2.808 23.128 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 0.509 -2.778 22.621 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -0.205 -2.170 23.842 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -2.664 -9.440 19.442 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -3.463 -9.016 19.829 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -2.000 -8.715 19.410 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -2.807 -5.883 13.764 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -2.622 -5.875 14.720 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -2.107 -6.450 13.394 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 4.908 -5.788 27.257 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 4.516 -5.600 26.380 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 5.699 -5.235 27.286 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -6.752 -6.583 20.847 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -7.647 -6.734 21.231 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -6.438 -5.773 21.285 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -1.906 -6.931 28.361 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -2.694 -6.426 28.593 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -1.389 -6.966 29.201 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -1.055 -5.440 23.457 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -0.937 -5.687 24.399 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -0.826 -4.483 23.429 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -0.519 -6.194 26.085 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 0.118 -6.929 25.983 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -1.041 -6.438 26.883 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 0.031 -9.763 27.446 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 0.201 -10.474 28.103 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -0.948 -9.723 27.392 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 1.564 -8.098 29.093 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 0.875 -8.558 28.573 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 2.302 -8.739 29.122 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -1.738 -9.742 30.567 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -1.067 -10.347 30.199 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -2.466 -10.333 30.850 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 3.737 -10.110 7.521 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 3.534 -10.086 8.483 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 4.317 -10.895 7.423 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 3.602 -5.324 16.841 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 2.760 -4.975 17.202 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 4.297 -4.850 17.359 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 2.597 -7.519 21.395 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 3.570 -7.371 21.345 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 2.330 -7.663 20.460 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 4.091 -8.867 18.086 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 4.446 -9.645 17.599 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 4.708 -8.145 17.856 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -9.882 -8.468 19.553 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -9.397 -8.197 18.740 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -9.642 -7.790 20.209 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 5.388 -7.677 23.987 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 4.607 -7.377 24.479 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 5.461 -8.627 24.210 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 5.042 -8.319 14.499 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 5.521 -7.947 13.750 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 5.326 -9.261 14.520 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -12.504 -8.876 14.310 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -11.684 -8.765 13.788 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -13.222 -8.770 13.653 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -9.695 -7.576 25.617 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -10.547 -7.154 25.756 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -9.819 -8.108 24.802 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 1.482 -8.202 25.741 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 0.988 -8.877 26.269 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 2.412 -8.298 26.046 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -5.168 -11.426 20.335 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -5.931 -11.945 20.669 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -5.419 -10.502 20.499 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -8.356 -7.717 17.423 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -7.544 -7.202 17.605 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -8.451 -7.679 16.449 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -5.234 -5.219 12.483 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -4.312 -5.400 12.777 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -5.749 -5.187 13.318 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -4.811 -7.271 15.992 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -5.255 -7.102 16.854 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -3.929 -6.855 16.096 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -4.622 -11.708 27.060 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -3.911 -11.129 26.745 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -4.892 -11.306 27.914 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -7.567 -9.910 29.602 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -7.744 -9.573 28.696 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -8.410 -9.830 30.053 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 3.394 -10.127 28.552 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 3.184 -10.590 29.394 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 3.643 -10.853 27.937 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -0.340 -6.635 30.605 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 0.360 -7.243 30.289 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 0.137 -5.836 30.853 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -2.723 -9.462 27.543 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -3.424 -9.680 28.194 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -2.436 -8.561 27.799 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 7.293 -28.685 6.370 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 6.805 -29.010 7.158 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 6.701 -28.000 5.993 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 8.363 -28.390 10.060 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 7.474 -28.582 9.673 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 8.955 -28.359 9.277 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 8.177 -24.707 5.072 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.404 -24.114 5.270 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.308 -25.204 5.898 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 11.857 -25.931 13.390 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 11.218 -26.542 12.963 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 12.697 -26.398 13.342 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 7.791 -25.670 2.522 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 7.811 -25.289 3.430 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 8.717 -25.703 2.261 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.615 -28.274 7.639 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 8.791 -28.460 7.120 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.302 -28.762 7.174 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.642 -31.521 24.717 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.255 -30.867 25.110 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 11.933 -32.371 25.093 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 12.622 -33.724 26.137 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 12.971 -34.583 25.878 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 11.654 -33.881 26.248 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 5.100 -32.646 14.390 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 5.384 -33.517 14.687 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 5.924 -32.102 14.420 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 13.799 -29.503 31.364 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 13.794 -28.563 31.097 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 14.747 -29.744 31.348 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.061 -29.796 27.724 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 10.841 -28.853 27.566 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 11.782 -29.979 27.084 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 6.362 -33.292 24.842 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 5.841 -33.365 24.032 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 6.651 -32.358 24.855 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 13.343 -29.972 26.167 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 13.958 -29.207 26.093 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 13.875 -30.662 26.617 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 9.027 -29.629 20.721 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 9.816 -29.974 20.294 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.169 -29.816 21.674 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 9.924 -34.094 25.879 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 9.617 -33.636 25.088 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 9.099 -34.421 26.299 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 15.179 -27.982 26.031 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 15.672 -27.485 25.334 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 15.876 -28.247 26.667 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 9.876 -30.348 12.499 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.915 -30.192 12.430 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 10.033 -31.116 11.940 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 7.369 -31.164 14.450 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 7.306 -30.589 13.654 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 8.245 -30.977 14.805 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.313 -35.020 29.481 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.275 -35.081 29.500 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.107 -34.755 28.556 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 7.217 -29.526 12.281 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 6.263 -29.503 12.028 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 7.661 -29.020 11.567 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 8.464 -30.686 28.276 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 8.243 -30.953 27.377 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.404 -30.414 28.220 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 14.333 -32.110 27.617 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 13.730 -31.921 28.371 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 13.832 -32.752 27.067 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 17.265 -28.677 27.647 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 18.088 -28.848 27.175 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 17.082 -29.518 28.123 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 10.905 -27.201 26.960 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.709 -27.328 26.009 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 11.790 -26.765 26.965 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.754 -30.114 23.372 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.390 -30.773 23.738 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 10.107 -29.251 23.683 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.179 -27.953 24.260 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 12.090 -28.245 24.389 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.230 -27.335 23.491 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 10.211 -27.620 11.908 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 10.356 -28.492 12.331 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.529 -27.803 11.225 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 8.296 -31.941 33.891 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.177 -32.372 33.017 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 7.792 -32.494 34.494 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 15.956 -26.347 32.979 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 15.518 -26.553 32.121 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 15.228 -26.400 33.639 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 11.529 -27.763 34.425 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 10.840 -28.453 34.558 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 11.028 -26.926 34.426 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 12.267 -30.808 35.550 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.047 -30.208 35.451 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 12.519 -31.402 36.264 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 14.536 -29.374 35.130 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 14.407 -28.406 35.169 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 15.343 -29.483 34.599 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 16.807 -31.183 28.738 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 16.000 -31.566 28.331 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 17.401 -31.957 28.866 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 11.865 -30.760 32.820 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 12.020 -30.808 33.787 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 12.725 -30.456 32.453 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 18.483 -33.285 29.202 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 18.895 -33.503 30.044 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 18.807 -33.959 28.596 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 16.504 -29.447 30.902 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 17.052 -29.536 31.702 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 16.842 -30.138 30.296 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.652 -32.462 31.082 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.070 -32.007 31.843 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.227 -32.231 30.327 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 9.794 -29.797 34.817 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.604 -30.224 35.168 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 9.203 -30.546 34.600 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 18.375 -25.421 30.371 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 19.313 -25.239 30.461 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 17.955 -24.865 31.059 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.566 -31.195 29.503 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 11.949 -30.635 28.982 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.962 -30.577 30.151 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.038 -33.061 31.397 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.990 -32.828 31.272 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 7.919 -33.864 30.846 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 10.514 -25.207 34.880 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 9.993 -24.581 34.337 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 9.855 -25.587 35.511 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.790 -26.452 36.524 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 7.904 -26.634 36.141 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.936 -27.177 37.137 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 15.044 -27.148 30.537 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 15.344 -26.633 29.761 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 15.634 -27.934 30.543 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.717 -20.401 5.344 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 11.444 -19.839 5.007 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.027 -21.304 5.200 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 10.911 -16.249 5.298 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 10.317 -15.480 5.163 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.577 -16.921 4.672 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 7.366 -19.186 -1.197 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 6.542 -18.964 -1.649 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 7.318 -20.158 -1.083 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 5.033 -19.776 1.695 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 5.160 -20.748 1.620 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 5.888 -19.452 2.019 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 7.485 -19.124 3.290 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.395 -18.824 3.473 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.520 -20.097 3.444 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.646 -23.814 5.979 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.426 -24.365 6.760 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.900 -23.961 5.375 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 13.719 -16.485 5.559 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 12.811 -16.132 5.490 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 13.878 -16.552 6.529 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 9.588 -18.463 0.483 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 10.104 -18.021 -0.201 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 8.825 -18.840 0.000 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 11.167 -16.589 7.991 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 11.077 -16.495 7.016 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 10.465 -17.244 8.235 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 5.661 -12.481 -2.080 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.510 -12.047 -1.938 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 5.158 -12.303 -1.249 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 16.104 -17.630 4.850 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 16.711 -16.988 4.473 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 15.290 -17.111 5.039 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.888 -16.766 8.293 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.201 -16.301 9.102 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 12.911 -16.722 8.354 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 10.976 -20.435 8.079 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 10.720 -20.327 7.138 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.589 -19.660 8.521 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 14.021 -15.516 10.720 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 13.163 -15.118 10.468 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 13.995 -15.535 11.693 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.128 -14.106 4.815 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.252 -13.420 5.503 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 8.252 -13.892 4.419 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 7.256 -14.500 7.847 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.576 -15.395 8.003 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 6.796 -14.258 8.688 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 12.771 -18.846 4.376 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.040 -17.941 4.635 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 13.491 -19.413 4.728 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 7.685 -24.177 -1.440 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.330 -23.280 -1.265 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.060 -24.115 -2.321 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.223 -19.677 11.272 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 10.174 -19.409 11.268 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.946 -19.580 10.334 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 10.239 -17.977 3.132 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 10.081 -18.246 2.195 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 11.075 -18.426 3.371 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.032 -19.367 9.096 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.090 -18.456 8.732 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 14.082 -19.937 8.314 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 9.004 -12.535 7.222 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 8.396 -13.302 7.319 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 9.160 -12.243 8.141 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 7.704 -14.057 0.755 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.478 -14.440 1.218 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 7.529 -14.683 0.029 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 8.582 -12.208 9.994 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 7.651 -12.516 9.884 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.941 -12.800 10.681 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 14.960 -19.888 5.822 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 15.466 -19.105 5.501 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 15.631 -20.562 5.960 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 14.520 -23.924 8.473 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 15.058 -24.369 7.817 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 13.889 -23.384 7.944 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 12.647 -22.420 7.203 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.998 -22.953 6.694 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 12.113 -21.685 7.574 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 12.756 -22.896 10.332 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 13.482 -23.369 9.872 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 12.475 -22.223 9.699 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 11.164 -23.479 12.415 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 11.825 -23.204 11.728 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.533 -24.314 12.782 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 4.371 -12.158 0.294 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 4.654 -11.815 1.166 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 3.430 -12.395 0.424 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.324 -15.458 2.444 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 9.840 -16.268 2.624 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.439 -14.915 3.252 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 6.942 -16.781 2.000 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 7.750 -16.267 2.204 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 7.091 -17.646 2.435 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 5.850 -22.356 1.599 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 6.539 -22.312 2.295 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 5.295 -23.137 1.860 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 7.637 -21.817 3.625 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.491 -22.253 3.734 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 7.085 -22.183 4.369 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 5.434 -26.833 5.604 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 4.727 -27.301 6.117 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 5.093 -25.903 5.511 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 11.560 -14.694 9.888 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.359 -15.353 9.184 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 11.255 -13.859 9.522 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.430 -25.526 7.793 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 9.512 -26.502 7.782 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 9.418 -25.297 8.745 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.643 -25.116 10.638 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 10.195 -24.461 11.101 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 9.853 -25.958 11.079 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.310 -12.867 18.111 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 8.041 -12.260 18.350 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 7.028 -13.244 18.962 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.955 -14.112 20.012 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.665 -13.996 20.667 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 10.320 -14.764 19.369 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 9.215 -21.309 19.892 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.476 -21.957 19.902 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.707 -21.522 19.065 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 7.289 -19.544 20.828 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.961 -20.170 20.485 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 6.448 -19.944 20.574 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.225 -26.243 22.177 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.899 -26.135 21.278 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 10.924 -25.432 22.643 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 10.093 -19.157 21.327 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.222 -18.735 21.253 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 9.987 -20.007 20.841 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 10.640 -15.694 17.806 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 9.921 -15.358 17.247 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 11.156 -16.269 17.212 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 11.737 -17.379 15.675 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 11.332 -16.664 15.144 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 12.341 -17.829 15.044 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 9.850 -19.645 24.076 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.695 -19.231 24.376 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.910 -19.619 23.100 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 8.456 -14.283 15.994 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.193 -13.686 15.260 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 7.994 -13.912 16.776 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.660 -12.122 23.272 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.506 -12.223 22.798 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.398 -13.039 23.492 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 13.396 -26.190 27.106 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 14.112 -26.768 26.768 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 13.361 -25.449 26.466 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 16.702 -26.477 24.413 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 17.415 -26.418 23.775 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 16.481 -25.540 24.616 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.205 -18.380 24.354 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 12.425 -18.233 23.407 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.995 -18.105 24.824 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.617 -22.305 16.732 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.664 -21.784 15.922 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 8.546 -22.317 17.060 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 10.378 -24.275 23.897 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 10.115 -23.402 24.263 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 9.735 -24.903 24.299 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 11.213 -23.178 15.270 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 11.229 -22.991 14.315 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 11.284 -24.139 15.323 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 6.209 -24.466 15.802 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 6.737 -23.681 16.047 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 6.679 -25.208 16.231 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 6.843 -22.580 19.423 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 6.321 -23.399 19.512 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 7.000 -22.501 18.461 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 10.086 -19.109 16.939 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 9.947 -18.577 17.729 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 10.722 -18.582 16.405 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.226 -18.117 13.434 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 13.395 -17.161 13.307 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.979 -18.556 12.977 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 7.402 -26.014 17.891 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.442 -26.915 18.266 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 6.907 -25.506 18.551 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 12.643 -18.152 21.646 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.730 -18.477 21.480 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 13.090 -18.265 20.803 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 9.496 -22.050 25.295 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 8.608 -21.956 25.700 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 9.684 -21.157 24.923 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.543 -11.394 13.969 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.663 -11.343 14.943 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 11.405 -11.674 13.639 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 7.443 -13.834 21.042 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.535 -14.259 21.916 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 8.312 -13.989 20.610 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 13.158 -15.375 13.334 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 12.190 -15.331 13.464 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 13.503 -14.670 13.896 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.220 -21.820 17.419 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 10.306 -20.875 17.163 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 10.708 -22.306 16.711 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 9.661 -16.681 10.969 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.557 -17.254 10.168 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 10.623 -16.572 11.056 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 10.651 -15.126 14.601 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 11.204 -14.392 14.949 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 9.750 -14.924 14.937 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 9.318 -7.245 24.408 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.900 -8.142 24.388 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 9.563 -7.123 25.332 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 6.781 -18.738 30.678 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 7.159 -18.695 29.789 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 7.548 -18.940 31.258 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 11.842 -18.904 11.007 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 12.341 -18.778 11.836 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 12.516 -19.196 10.363 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 8.231 -21.943 31.179 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 8.973 -22.106 30.555 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 8.408 -21.043 31.531 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 12.411 -13.340 15.661 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 12.964 -13.667 16.379 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 11.925 -12.582 16.058 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 15.048 -19.035 11.620 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 15.996 -19.010 11.470 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 14.669 -19.220 10.733 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 11.207 -23.131 27.032 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 11.717 -23.526 26.291 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 10.494 -22.628 26.584 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 12.843 -24.299 25.112 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 13.615 -24.137 24.552 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 12.088 -24.321 24.484 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 10.497 -22.767 29.742 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 11.359 -22.564 30.157 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 10.718 -22.920 28.798 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 16.145 -23.866 24.975 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 16.593 -23.037 24.789 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 15.931 -23.812 25.936 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 13.389 -22.268 28.374 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 14.173 -22.729 28.014 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 12.655 -22.552 27.789 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 16.557 -26.110 28.484 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 17.270 -25.858 29.118 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 16.849 -26.974 28.130 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 7.879 -14.942 23.540 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 7.880 -15.198 24.475 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 7.708 -15.785 23.065 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 6.959 -17.221 22.241 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 7.087 -18.061 21.740 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 6.115 -16.879 21.916 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 8.109 -9.704 24.597 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 8.458 -10.583 24.357 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 7.212 -9.891 24.946 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 11.353 -12.362 21.797 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 11.936 -11.915 21.174 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 11.887 -12.416 22.624 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 8.375 -7.763 21.131 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 7.944 -6.930 20.829 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 9.195 -7.459 21.569 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 10.739 -8.444 19.764 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 11.106 -7.992 20.547 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 9.774 -8.374 19.883 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 9.587 -11.577 19.028 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.738 -12.449 19.455 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 9.796 -10.934 19.718 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 13.026 -12.306 23.933 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 13.780 -11.754 24.166 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 12.936 -12.914 24.675 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 6.970 -28.321 19.485 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 6.325 -28.383 20.206 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 7.756 -28.801 19.826 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 8.486 -14.344 11.755 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.588 -14.594 11.427 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 9.058 -15.090 11.473 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 8.803 -22.162 12.417 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.660 -22.622 12.567 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.056 -21.231 12.256 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 8.118 -12.609 13.832 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.192 -13.243 13.084 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 8.954 -12.094 13.790 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 15.740 -23.621 27.665 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 16.176 -23.117 28.392 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 15.896 -24.563 27.903 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 6.740 -24.552 33.857 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 7.657 -24.218 33.822 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 6.308 -24.146 33.070 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 5.819 -23.162 31.700 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 6.646 -22.700 31.434 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 5.107 -22.613 31.322 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.219 -23.319 33.332 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 8.692 -22.891 32.622 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.007 -22.731 33.427 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 13.268 -21.855 35.115 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 13.144 -22.775 35.448 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 13.229 -21.310 35.909 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 11.329 -21.628 33.131 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 11.864 -21.780 32.320 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 11.995 -21.568 33.844 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 12.778 -24.371 36.087 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 12.656 -24.738 36.970 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 11.949 -24.615 35.607 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 8.671 -19.573 32.495 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 8.003 -19.351 33.192 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 9.491 -19.715 32.990 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 15.680 -21.996 33.710 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 16.092 -21.199 34.057 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 14.776 -21.982 34.086 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 16.988 -23.887 32.227 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 16.688 -24.745 32.599 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 16.569 -23.215 32.812 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 11.808 -26.780 29.549 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 12.657 -26.401 29.270 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 11.327 -26.921 28.712 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 13.015 -22.256 31.050 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 13.248 -22.098 30.102 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 13.779 -22.729 31.402 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 9.576 -25.004 31.079 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 9.599 -24.617 31.966 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 9.899 -24.288 30.498 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 13.968 -26.658 34.832 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 13.104 -27.098 34.641 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 13.716 -25.814 35.251 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 17.013 -28.800 33.703 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 16.750 -27.901 33.408 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 17.661 -28.641 34.395 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 16.789 -22.434 29.875 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 17.126 -21.585 30.170 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 16.843 -23.003 30.669 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 7.388 -10.270 6.992 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 6.630 -10.869 7.163 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 8.150 -10.877 6.902 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 11.341 -8.527 17.098 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 11.162 -8.488 18.069 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 12.072 -7.911 16.968 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 3.009 -4.023 14.501 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 3.781 -3.485 14.304 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 3.283 -4.562 15.274 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.274 -5.403 20.352 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 7.478 -5.314 19.395 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 6.932 -4.520 20.606 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 7.681 -5.262 17.631 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.487 -5.476 17.141 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 7.050 -5.973 17.372 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 10.777 -6.840 22.138 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 11.267 -6.013 22.209 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 10.348 -6.943 23.019 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 5.550 -10.915 17.008 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 6.103 -11.640 17.358 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 5.702 -10.943 16.042 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.217 -7.462 16.882 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 7.129 -7.781 16.691 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 5.713 -7.685 16.073 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 10.993 -11.223 16.676 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 11.177 -10.258 16.731 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 10.392 -11.392 17.436 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 4.774 -4.389 23.008 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 5.651 -4.645 23.370 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 4.138 -4.886 23.555 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 5.819 -3.132 20.849 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 5.925 -2.222 21.149 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 5.356 -3.581 21.596 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 5.377 -3.774 18.166 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 6.270 -4.084 17.923 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 5.473 -3.462 19.087 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 8.798 -7.870 16.134 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 8.776 -8.227 15.215 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 9.678 -8.126 16.465 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 5.997 -10.892 14.214 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 6.798 -11.462 14.186 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 5.622 -10.969 13.314 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 8.953 -9.123 13.699 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 9.544 -9.898 13.742 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 8.527 -9.199 12.819 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 7.077 -5.575 23.979 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 7.991 -5.904 24.004 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 6.530 -6.388 24.038 1.00 0.00 WAT1 END