REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -796.141, 79.7869, 112.11, 51.7724, 560.706, -601.202, -1004.03, 4.33744, 0.375297 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.317705E-03,0.450925,1.19887,42.4981,4.912943E-03,0.202651 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 55, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 13.118 -7.312 -3.181 1.00 4.44 ATOM 2 CB MET 1 13.855 -8.929 -4.386 1.00 11.14 ATOM 3 HB1 MET 1 12.850 -9.286 -4.568 1.00 36.60 ATOM 4 HB2 MET 1 14.268 -9.473 -3.548 1.00 32.01 ATOM 5 CG MET 1 14.700 -9.238 -5.615 1.00 20.12 ATOM 6 HG1 MET 1 14.695 -10.307 -5.780 1.00 36.60 ATOM 7 HG2 MET 1 15.712 -8.909 -5.431 1.00 44.53 ATOM 8 SD MET 1 14.089 -8.421 -7.104 1.00 64.42 ATOM 9 CE MET 1 15.210 -9.083 -8.339 1.00 4.52 ATOM 10 HE1 MET 1 15.105 -10.158 -8.382 1.00 34.20 ATOM 11 HE2 MET 1 16.226 -8.831 -8.075 1.00 72.54 ATOM 12 HE3 MET 1 14.973 -8.659 -9.304 1.00 15.44 ATOM 13 C MET 1 15.177 -6.927 -3.610 1.00 14.53 ATOM 14 O MET 1 15.903 -6.358 -4.426 1.00 23.24 ATOM 15 N MET 1 13.240 -6.643 -5.157 1.00 12.20 ATOM 16 HT1 MET 1 13.871 -6.709 -5.982 1.00 36.60 ATOM 17 HT2 MET 1 13.155 -5.641 -4.884 1.00 36.60 ATOM 18 HT3 MET 1 12.298 -6.997 -5.425 1.00 36.60 ATOM 19 CA MET 1 13.788 -7.436 -4.022 1.00 34.02 ATOM 20 N GLY 2 15.535 -7.126 -2.341 1.00 33.52 ATOM 21 HN GLY 2 14.920 -7.595 -1.735 1.00 36.60 ATOM 22 CA GLY 2 16.826 -6.659 -1.838 1.00 24.12 ATOM 23 HA1 GLY 2 16.733 -5.621 -1.552 1.00 36.60 ATOM 24 HA2 GLY 2 17.558 -6.735 -2.630 1.00 62.20 ATOM 25 C GLY 2 17.321 -7.457 -0.634 1.00 44.24 ATOM 26 O GLY 2 16.596 -7.630 0.347 1.00 1.41 ATOM 27 N HIS 3 18.562 -7.938 -0.705 1.00 52.40 ATOM 28 HN HIS 3 19.103 -7.736 -1.497 1.00 36.60 ATOM 29 CA HIS 3 19.137 -8.774 0.358 1.00 21.54 ATOM 30 HA HIS 3 18.318 -9.250 0.880 1.00 22.14 ATOM 31 CB HIS 3 20.019 -9.865 -0.269 1.00 53.31 ATOM 32 HB1 HIS 3 20.877 -9.400 -0.736 1.00 36.60 ATOM 33 HB2 HIS 3 19.449 -10.386 -1.024 1.00 23.44 ATOM 34 CG HIS 3 20.520 -10.887 0.706 1.00 61.42 ATOM 35 ND1 HIS 3 19.718 -11.869 1.246 1.00 20.13 ATOM 36 HD1 HIS 3 18.762 -11.998 1.059 1.00 41.23 ATOM 37 CD2 HIS 3 21.752 -11.082 1.235 1.00 2.25 ATOM 38 HD2 HIS 3 22.638 -10.498 1.031 1.00 44.34 ATOM 39 CE1 HIS 3 20.429 -12.619 2.061 1.00 44.02 ATOM 40 HE1 HIS 3 20.061 -13.464 2.624 1.00 53.14 ATOM 41 NE2 HIS 3 21.665 -12.166 2.072 1.00 73.23 ATOM 42 HE2 HIS 3 22.428 -12.629 2.478 1.00 36.60 ATOM 43 C HIS 3 19.946 -7.943 1.379 1.00 42.13 ATOM 44 O HIS 3 20.236 -8.413 2.481 1.00 41.43 ATOM 45 N HIS 4 20.317 -6.714 1.014 1.00 74.00 ATOM 46 HN HIS 4 20.079 -6.391 0.119 1.00 36.60 ATOM 47 CA HIS 4 21.058 -5.828 1.926 1.00 40.33 ATOM 48 HA HIS 4 21.605 -6.451 2.623 1.00 14.04 ATOM 49 CB HIS 4 22.056 -4.960 1.152 1.00 53.22 ATOM 50 HB1 HIS 4 22.544 -4.282 1.838 1.00 36.60 ATOM 51 HB2 HIS 4 21.519 -4.384 0.412 1.00 22.51 ATOM 52 CG HIS 4 23.119 -5.737 0.439 1.00 3.11 ATOM 53 ND1 HIS 4 24.250 -6.222 1.060 1.00 10.55 ATOM 54 HD1 HIS 4 24.479 -6.108 2.008 1.00 23.24 ATOM 55 CD2 HIS 4 23.221 -6.109 -0.856 1.00 23.23 ATOM 56 HD2 HIS 4 22.507 -5.902 -1.641 1.00 63.12 ATOM 57 CE1 HIS 4 24.997 -6.855 0.179 1.00 52.41 ATOM 58 HE1 HIS 4 25.939 -7.342 0.384 1.00 3.31 ATOM 59 NE2 HIS 4 24.396 -6.803 -0.990 1.00 0.31 ATOM 60 HE2 HIS 4 24.625 -7.371 -1.756 1.00 36.60 ATOM 61 C HIS 4 20.106 -4.923 2.722 1.00 70.43 ATOM 62 O HIS 4 19.063 -4.503 2.211 1.00 63.51 ATOM 63 N HIS 5 20.468 -4.645 3.978 1.00 25.13 ATOM 64 HN HIS 5 21.292 -5.054 4.326 1.00 36.60 ATOM 65 CA HIS 5 19.695 -3.760 4.872 1.00 25.22 ATOM 66 HA HIS 5 20.320 -3.567 5.733 1.00 13.23 ATOM 67 CB HIS 5 19.391 -2.416 4.187 1.00 45.02 ATOM 68 HB1 HIS 5 18.712 -2.588 3.363 1.00 36.60 ATOM 69 HB2 HIS 5 20.310 -1.998 3.803 1.00 54.11 ATOM 70 CG HIS 5 18.769 -1.399 5.096 1.00 65.21 ATOM 71 ND1 HIS 5 17.763 -0.547 4.701 1.00 73.42 ATOM 72 HD1 HIS 5 17.360 -0.512 3.804 1.00 72.24 ATOM 73 CD2 HIS 5 19.033 -1.087 6.386 1.00 2.11 ATOM 74 HD2 HIS 5 19.776 -1.553 7.019 1.00 20.53 ATOM 75 CE1 HIS 5 17.434 0.241 5.704 1.00 44.24 ATOM 76 HE1 HIS 5 16.678 1.011 5.679 1.00 51.42 ATOM 77 NE2 HIS 5 18.188 -0.064 6.739 1.00 14.11 ATOM 78 HE2 HIS 5 18.293 0.500 7.536 1.00 36.60 ATOM 79 C HIS 5 18.394 -4.423 5.373 1.00 4.21 ATOM 80 O HIS 5 17.933 -4.140 6.484 1.00 13.22 ATOM 81 N HIS 6 17.806 -5.290 4.552 1.00 45.23 ATOM 82 HN HIS 6 18.181 -5.425 3.659 1.00 36.60 ATOM 83 CA HIS 6 16.614 -6.047 4.933 1.00 23.20 ATOM 84 HA HIS 6 15.859 -5.341 5.250 1.00 2.23 ATOM 85 CB HIS 6 16.087 -6.828 3.717 1.00 62.31 ATOM 86 HB1 HIS 6 16.867 -7.485 3.358 1.00 36.60 ATOM 87 HB2 HIS 6 15.829 -6.131 2.934 1.00 40.11 ATOM 88 CG HIS 6 14.874 -7.667 4.000 1.00 65.22 ATOM 89 ND1 HIS 6 13.585 -7.205 3.841 1.00 33.12 ATOM 90 HD1 HIS 6 13.331 -6.306 3.542 1.00 35.55 ATOM 91 CD2 HIS 6 14.758 -8.949 4.425 1.00 34.13 ATOM 92 HD2 HIS 6 15.568 -9.622 4.665 1.00 12.21 ATOM 93 CE1 HIS 6 12.733 -8.159 4.155 1.00 32.24 ATOM 94 HE1 HIS 6 11.656 -8.080 4.127 1.00 31.52 ATOM 95 NE2 HIS 6 13.417 -9.225 4.510 1.00 15.12 ATOM 96 HE2 HIS 6 13.030 -10.114 4.668 1.00 36.60 ATOM 97 C HIS 6 16.918 -7.007 6.097 1.00 53.21 ATOM 98 O HIS 6 17.446 -8.100 5.890 1.00 52.43 ATOM 99 N HIS 7 16.602 -6.583 7.321 1.00 41.21 ATOM 100 HN HIS 7 16.239 -5.680 7.433 1.00 36.60 ATOM 101 CA HIS 7 16.796 -7.427 8.505 1.00 61.12 ATOM 102 HA HIS 7 17.850 -7.664 8.572 1.00 33.41 ATOM 103 CB HIS 7 16.379 -6.671 9.776 1.00 54.30 ATOM 104 HB1 HIS 7 15.371 -6.299 9.652 1.00 36.60 ATOM 105 HB2 HIS 7 17.047 -5.834 9.924 1.00 54.42 ATOM 106 CG HIS 7 16.413 -7.511 11.019 1.00 40.55 ATOM 107 ND1 HIS 7 17.561 -7.729 11.752 1.00 32.13 ATOM 108 HD1 HIS 7 18.450 -7.371 11.548 1.00 63.22 ATOM 109 CD2 HIS 7 15.431 -8.195 11.656 1.00 33.41 ATOM 110 HD2 HIS 7 14.391 -8.250 11.363 1.00 42.24 ATOM 111 CE1 HIS 7 17.285 -8.507 12.779 1.00 33.55 ATOM 112 HE1 HIS 7 17.992 -8.844 13.523 1.00 54.32 ATOM 113 NE2 HIS 7 16.004 -8.803 12.744 1.00 61.05 ATOM 114 HE2 HIS 7 15.549 -9.415 13.362 1.00 36.60 ATOM 115 C HIS 7 16.003 -8.737 8.385 1.00 3.15 ATOM 116 O HIS 7 14.798 -8.722 8.132 1.00 13.14 ATOM 117 N HIS 8 16.681 -9.865 8.577 1.00 42.44 ATOM 118 HN HIS 8 17.633 -9.816 8.815 1.00 36.60 ATOM 119 CA HIS 8 16.041 -11.178 8.454 1.00 71.52 ATOM 120 HA HIS 8 14.995 -11.063 8.708 1.00 53.11 ATOM 121 CB HIS 8 16.146 -11.683 7.007 1.00 63.41 ATOM 122 HB1 HIS 8 15.721 -10.943 6.343 1.00 36.60 ATOM 123 HB2 HIS 8 15.587 -12.604 6.911 1.00 33.45 ATOM 124 CG HIS 8 17.554 -11.950 6.561 1.00 41.03 ATOM 125 ND1 HIS 8 18.124 -13.206 6.582 1.00 33.31 ATOM 126 HD1 HIS 8 17.679 -14.032 6.864 1.00 5.11 ATOM 127 CD2 HIS 8 18.513 -11.118 6.084 1.00 24.42 ATOM 128 HD2 HIS 8 18.421 -10.052 5.931 1.00 12.33 ATOM 129 CE1 HIS 8 19.364 -13.136 6.144 1.00 3.44 ATOM 130 HE1 HIS 8 20.050 -13.965 6.054 1.00 23.24 ATOM 131 NE2 HIS 8 19.626 -11.884 5.834 1.00 2.13 ATOM 132 HE2 HIS 8 20.423 -11.583 5.351 1.00 36.60 ATOM 133 C HIS 8 16.666 -12.202 9.412 1.00 22.52 ATOM 134 O HIS 8 17.860 -12.142 9.719 1.00 4.22 ATOM 135 N SER 9 15.848 -13.145 9.867 1.00 52.23 ATOM 136 HN SER 9 14.907 -13.130 9.585 1.00 36.60 ATOM 137 CA SER 9 16.301 -14.219 10.760 1.00 64.14 ATOM 138 HA SER 9 17.241 -13.921 11.201 1.00 71.32 ATOM 139 CB SER 9 15.267 -14.447 11.876 1.00 43.44 ATOM 140 HB1 SER 9 15.648 -15.180 12.573 1.00 36.60 ATOM 141 HB2 SER 9 14.345 -14.810 11.444 1.00 34.51 ATOM 142 OG SER 9 14.994 -13.245 12.584 1.00 3.43 ATOM 143 HG SER 9 14.114 -12.926 12.338 1.00 62.13 ATOM 144 C SER 9 16.510 -15.517 9.967 1.00 53.23 ATOM 145 O SER 9 16.554 -15.501 8.735 1.00 30.22 ATOM 146 N HIS 10 16.658 -16.639 10.665 1.00 22.42 ATOM 147 HN HIS 10 16.714 -16.595 11.646 1.00 36.60 ATOM 148 CA HIS 10 16.750 -17.942 9.995 1.00 15.24 ATOM 149 HA HIS 10 17.315 -17.808 9.082 1.00 43.35 ATOM 150 CB HIS 10 17.475 -18.957 10.884 1.00 5.53 ATOM 151 HB1 HIS 10 17.558 -19.896 10.354 1.00 36.60 ATOM 152 HB2 HIS 10 16.899 -19.111 11.784 1.00 64.35 ATOM 153 CG HIS 10 18.855 -18.532 11.290 1.00 34.51 ATOM 154 ND1 HIS 10 19.192 -18.196 12.583 1.00 35.01 ATOM 155 HD1 HIS 10 18.579 -18.188 13.351 1.00 35.52 ATOM 156 CD2 HIS 10 19.992 -18.402 10.566 1.00 25.51 ATOM 157 HD2 HIS 10 20.103 -18.584 9.506 1.00 64.41 ATOM 158 CE1 HIS 10 20.468 -17.878 12.637 1.00 1.20 ATOM 159 HE1 HIS 10 21.007 -17.574 13.522 1.00 72.23 ATOM 160 NE2 HIS 10 20.978 -17.996 11.430 1.00 34.00 ATOM 161 HE2 HIS 10 21.936 -17.992 11.226 1.00 36.60 ATOM 162 C HIS 10 15.351 -18.471 9.636 1.00 52.13 ATOM 163 O HIS 10 15.185 -19.216 8.667 1.00 15.34 ATOM 164 N MET 11 14.356 -18.073 10.436 1.00 40.23 ATOM 165 HN MET 11 14.572 -17.489 11.193 1.00 36.60 ATOM 166 CA MET 11 12.962 -18.500 10.258 1.00 72.43 ATOM 167 HA MET 11 12.374 -17.996 11.014 1.00 24.01 ATOM 168 CB MET 11 12.437 -18.089 8.866 1.00 43.22 ATOM 169 HB1 MET 11 12.962 -18.661 8.113 1.00 36.60 ATOM 170 HB2 MET 11 12.644 -17.040 8.713 1.00 71.52 ATOM 171 CG MET 11 10.939 -18.311 8.673 1.00 35.11 ATOM 172 HG1 MET 11 10.405 -17.771 9.442 1.00 36.60 ATOM 173 HG2 MET 11 10.730 -19.367 8.766 1.00 52.00 ATOM 174 SD MET 11 10.351 -17.748 7.062 1.00 10.04 ATOM 175 CE MET 11 8.634 -18.265 7.133 1.00 72.30 ATOM 176 HE1 MET 11 8.583 -19.333 7.287 1.00 1.12 ATOM 177 HE2 MET 11 8.144 -18.015 6.203 1.00 45.15 ATOM 178 HE3 MET 11 8.139 -17.758 7.949 1.00 4.32 ATOM 179 C MET 11 12.834 -20.017 10.485 1.00 31.41 ATOM 180 O MET 11 12.107 -20.722 9.782 1.00 25.03 ATOM 181 N ASN 12 13.556 -20.510 11.486 1.00 53.43 ATOM 182 HN ASN 12 14.112 -19.894 12.015 1.00 36.60 ATOM 183 CA ASN 12 13.535 -21.932 11.836 1.00 13.42 ATOM 184 HA ASN 12 13.278 -22.487 10.944 1.00 20.12 ATOM 185 CB ASN 12 14.920 -22.385 12.316 1.00 13.23 ATOM 186 HB1 ASN 12 14.865 -23.419 12.628 1.00 36.60 ATOM 187 HB2 ASN 12 15.220 -21.777 13.158 1.00 55.11 ATOM 188 CG ASN 12 15.980 -22.267 11.234 1.00 20.31 ATOM 189 OD1 ASN 12 15.687 -22.354 10.044 1.00 52.23 ATOM 190 ND2 ASN 12 17.221 -22.077 11.633 1.00 23.50 ATOM 191 HD21 ASN 12 17.397 -22.022 12.593 1.00 63.41 ATOM 192 HD22 ASN 12 17.918 -22.004 10.951 1.00 54.20 ATOM 193 C ASN 12 12.485 -22.225 12.914 1.00 50.14 ATOM 194 O ASN 12 12.269 -21.422 13.824 1.00 1.34 ATOM 195 N SER 13 11.852 -23.392 12.813 1.00 41.03 ATOM 196 HN SER 13 12.094 -24.001 12.083 1.00 36.60 ATOM 197 CA SER 13 10.802 -23.801 13.757 1.00 23.51 ATOM 198 HA SER 13 9.950 -23.152 13.605 1.00 65.15 ATOM 199 CB SER 13 10.380 -25.252 13.484 1.00 53.34 ATOM 200 HB1 SER 13 9.553 -25.514 14.130 1.00 36.60 ATOM 201 HB2 SER 13 11.212 -25.910 13.682 1.00 41.31 ATOM 202 OG SER 13 9.976 -25.430 12.133 1.00 54.42 ATOM 203 HG SER 13 9.027 -25.259 12.059 1.00 4.21 ATOM 204 C SER 13 11.271 -23.674 15.213 1.00 60.22 ATOM 205 O SER 13 10.519 -23.241 16.085 1.00 34.32 ATOM 206 N ALA 14 12.523 -24.048 15.467 1.00 72.31 ATOM 207 HN ALA 14 13.076 -24.388 14.729 1.00 36.60 ATOM 208 CA ALA 14 13.099 -23.973 16.815 1.00 75.15 ATOM 209 HA ALA 14 12.499 -24.599 17.462 1.00 11.24 ATOM 210 CB ALA 14 14.517 -24.532 16.808 1.00 30.55 ATOM 211 HB1 ALA 14 14.907 -24.546 17.817 1.00 74.22 ATOM 212 HB2 ALA 14 15.146 -23.909 16.187 1.00 34.21 ATOM 213 HB3 ALA 14 14.507 -25.539 16.414 1.00 72.55 ATOM 214 C ALA 14 13.096 -22.537 17.375 1.00 70.41 ATOM 215 O ALA 14 12.847 -22.329 18.563 1.00 52.02 ATOM 216 N GLU 15 13.350 -21.554 16.510 1.00 54.15 ATOM 217 HN GLU 15 13.450 -21.769 15.559 1.00 36.60 ATOM 218 CA GLU 15 13.469 -20.152 16.939 1.00 22.14 ATOM 219 HA GLU 15 14.236 -20.111 17.701 1.00 33.24 ATOM 220 CB GLU 15 13.904 -19.269 15.757 1.00 22.24 ATOM 221 HB1 GLU 15 14.047 -18.257 16.111 1.00 36.60 ATOM 222 HB2 GLU 15 13.121 -19.273 15.011 1.00 40.00 ATOM 223 CG GLU 15 15.201 -19.736 15.095 1.00 65.14 ATOM 224 HG1 GLU 15 15.017 -20.686 14.613 1.00 36.60 ATOM 225 HG2 GLU 15 15.952 -19.868 15.862 1.00 24.03 ATOM 226 CD GLU 15 15.736 -18.762 14.053 1.00 5.40 ATOM 227 OE1 GLU 15 16.868 -18.257 14.226 1.00 24.15 ATOM 228 OE2 GLU 15 15.035 -18.505 13.053 1.00 43.31 ATOM 229 C GLU 15 12.155 -19.629 17.547 1.00 31.34 ATOM 230 O GLU 15 12.147 -19.066 18.645 1.00 33.12 ATOM 231 N GLN 16 11.041 -19.828 16.842 1.00 12.04 ATOM 232 HN GLN 16 11.098 -20.269 15.967 1.00 36.60 ATOM 233 CA GLN 16 9.733 -19.387 17.345 1.00 24.23 ATOM 234 HA GLN 16 9.856 -18.375 17.708 1.00 33.32 ATOM 235 CB GLN 16 8.683 -19.375 16.219 1.00 34.13 ATOM 236 HB1 GLN 16 9.025 -18.708 15.441 1.00 36.60 ATOM 237 HB2 GLN 16 7.753 -18.993 16.616 1.00 55.13 ATOM 238 CG GLN 16 8.404 -20.734 15.585 1.00 10.03 ATOM 239 HG1 GLN 16 8.069 -21.416 16.353 1.00 36.60 ATOM 240 HG2 GLN 16 9.319 -21.108 15.147 1.00 41.41 ATOM 241 CD GLN 16 7.335 -20.659 14.501 1.00 54.33 ATOM 242 OE1 GLN 16 6.437 -19.821 14.552 1.00 12.44 ATOM 243 NE2 GLN 16 7.417 -21.528 13.513 1.00 13.22 ATOM 244 HE21 GLN 16 8.151 -22.173 13.519 1.00 51.34 ATOM 245 HE22 GLN 16 6.733 -21.491 12.810 1.00 20.44 ATOM 246 C GLN 16 9.261 -20.261 18.525 1.00 33.40 ATOM 247 O GLN 16 8.534 -19.792 19.403 1.00 40.43 ATOM 248 N THR 17 9.691 -21.526 18.548 1.00 3.40 ATOM 249 HN THR 17 10.223 -21.861 17.796 1.00 36.60 ATOM 250 CA THR 17 9.377 -22.435 19.666 1.00 42.44 ATOM 251 HA THR 17 8.299 -22.485 19.755 1.00 23.45 ATOM 252 CB THR 17 9.909 -23.871 19.409 1.00 10.45 ATOM 253 HB THR 17 10.979 -23.819 19.250 1.00 42.30 ATOM 254 OG1 THR 17 9.294 -24.417 18.233 1.00 63.12 ATOM 255 HG1 THR 17 9.893 -24.327 17.487 1.00 42.31 ATOM 256 CG2 THR 17 9.635 -24.795 20.595 1.00 71.41 ATOM 257 HG21 THR 17 10.130 -24.411 21.476 1.00 4.45 ATOM 258 HG22 THR 17 10.009 -25.786 20.378 1.00 32.42 ATOM 259 HG23 THR 17 8.570 -24.845 20.775 1.00 15.45 ATOM 260 C THR 17 9.953 -21.906 20.990 1.00 23.34 ATOM 261 O THR 17 9.331 -22.037 22.046 1.00 71.45 ATOM 262 N VAL 18 11.141 -21.297 20.929 1.00 73.14 ATOM 263 HN VAL 18 11.636 -21.297 20.080 1.00 36.60 ATOM 264 CA VAL 18 11.731 -20.638 22.105 1.00 33.14 ATOM 265 HA VAL 18 11.909 -21.396 22.857 1.00 13.42 ATOM 266 CB VAL 18 13.082 -19.954 21.766 1.00 53.22 ATOM 267 HB VAL 18 12.896 -19.190 21.021 1.00 35.30 ATOM 268 CG1 VAL 18 13.673 -19.274 23.002 1.00 4.14 ATOM 269 HG11 VAL 18 14.600 -18.787 22.737 1.00 74.32 ATOM 270 HG12 VAL 18 13.862 -20.013 23.768 1.00 4.33 ATOM 271 HG13 VAL 18 12.978 -18.538 23.377 1.00 54.45 ATOM 272 CG2 VAL 18 14.072 -20.959 21.178 1.00 22.32 ATOM 273 HG21 VAL 18 14.257 -21.748 21.893 1.00 53.12 ATOM 274 HG22 VAL 18 15.002 -20.457 20.947 1.00 55.33 ATOM 275 HG23 VAL 18 13.661 -21.385 20.273 1.00 51.33 ATOM 276 C VAL 18 10.765 -19.585 22.676 1.00 4.41 ATOM 277 O VAL 18 10.489 -19.556 23.878 1.00 54.11 ATOM 278 N THR 19 10.240 -18.733 21.793 1.00 32.51 ATOM 279 HN THR 19 10.519 -18.796 20.853 1.00 36.60 ATOM 280 CA THR 19 9.251 -17.715 22.181 1.00 45.32 ATOM 281 HA THR 19 9.700 -17.087 22.939 1.00 11.31 ATOM 282 CB THR 19 8.854 -16.820 20.975 1.00 44.44 ATOM 283 HB THR 19 8.453 -17.453 20.195 1.00 70.13 ATOM 284 OG1 THR 19 10.007 -16.129 20.460 1.00 13.13 ATOM 285 HG1 THR 19 10.808 -16.598 20.718 1.00 74.51 ATOM 286 CG2 THR 19 7.787 -15.797 21.362 1.00 64.50 ATOM 287 HG21 THR 19 8.172 -15.149 22.136 1.00 23.04 ATOM 288 HG22 THR 19 6.909 -16.309 21.727 1.00 11.00 ATOM 289 HG23 THR 19 7.523 -15.208 20.495 1.00 71.34 ATOM 290 C THR 19 7.985 -18.366 22.757 1.00 64.11 ATOM 291 O THR 19 7.386 -17.860 23.707 1.00 62.13 ATOM 292 N TRP 20 7.593 -19.496 22.176 1.00 0.10 ATOM 293 HN TRP 20 8.109 -19.840 21.414 1.00 36.60 ATOM 294 CA TRP 20 6.417 -20.248 22.628 1.00 53.52 ATOM 295 HA TRP 20 5.563 -19.590 22.556 1.00 12.13 ATOM 296 CB TRP 20 6.195 -21.451 21.700 1.00 34.41 ATOM 297 HB1 TRP 20 7.065 -22.091 21.746 1.00 36.60 ATOM 298 HB2 TRP 20 6.079 -21.094 20.686 1.00 1.52 ATOM 299 CG TRP 20 4.987 -22.283 22.035 1.00 20.43 ATOM 300 CD1 TRP 20 3.727 -21.836 22.316 1.00 33.42 ATOM 301 HD1 TRP 20 3.445 -20.795 22.347 1.00 3.33 ATOM 302 CD2 TRP 20 4.926 -23.714 22.092 1.00 14.12 ATOM 303 NE1 TRP 20 2.892 -22.900 22.554 1.00 52.32 ATOM 304 HE1 TRP 20 1.941 -22.837 22.786 1.00 43.41 ATOM 305 CE2 TRP 20 3.603 -24.063 22.421 1.00 64.33 ATOM 306 CE3 TRP 20 5.862 -24.733 21.894 1.00 11.03 ATOM 307 HE3 TRP 20 6.889 -24.508 21.642 1.00 31.04 ATOM 308 CZ2 TRP 20 3.196 -25.386 22.562 1.00 35.42 ATOM 309 HZ2 TRP 20 2.178 -25.648 22.815 1.00 41.24 ATOM 310 CZ3 TRP 20 5.456 -26.046 22.034 1.00 53.41 ATOM 311 HZ3 TRP 20 6.164 -26.847 21.885 1.00 73.22 ATOM 312 CH2 TRP 20 4.132 -26.363 22.360 1.00 53.14 ATOM 313 HH2 TRP 20 3.859 -27.402 22.459 1.00 22.02 ATOM 314 C TRP 20 6.566 -20.706 24.093 1.00 62.30 ATOM 315 O TRP 20 5.631 -20.592 24.889 1.00 30.12 ATOM 316 N LEU 21 7.745 -21.209 24.449 1.00 32.23 ATOM 317 HN LEU 21 8.445 -21.315 23.768 1.00 36.60 ATOM 318 CA LEU 21 8.019 -21.620 25.832 1.00 5.24 ATOM 319 HA LEU 21 7.259 -22.335 26.117 1.00 11.30 ATOM 320 CB LEU 21 9.397 -22.294 25.929 1.00 43.25 ATOM 321 HB1 LEU 21 9.569 -22.566 26.961 1.00 36.60 ATOM 322 HB2 LEU 21 10.147 -21.570 25.638 1.00 11.43 ATOM 323 CG LEU 21 9.581 -23.554 25.065 1.00 54.11 ATOM 324 HG LEU 21 9.492 -23.280 24.022 1.00 20.13 ATOM 325 CD1 LEU 21 10.971 -24.150 25.270 1.00 52.42 ATOM 326 HD11 LEU 21 11.721 -23.418 25.004 1.00 15.11 ATOM 327 HD12 LEU 21 11.086 -25.023 24.644 1.00 64.40 ATOM 328 HD13 LEU 21 11.096 -24.432 26.306 1.00 10.20 ATOM 329 CD2 LEU 21 8.499 -24.587 25.374 1.00 25.33 ATOM 330 HD21 LEU 21 8.533 -24.848 26.423 1.00 4.24 ATOM 331 HD22 LEU 21 8.665 -25.474 24.779 1.00 62.54 ATOM 332 HD23 LEU 21 7.529 -24.175 25.138 1.00 34.11 ATOM 333 C LEU 21 7.954 -20.421 26.799 1.00 63.33 ATOM 334 O LEU 21 7.396 -20.516 27.898 1.00 4.22 ATOM 335 N ILE 22 8.520 -19.291 26.378 1.00 72.30 ATOM 336 HN ILE 22 8.944 -19.273 25.492 1.00 36.60 ATOM 337 CA ILE 22 8.542 -18.079 27.205 1.00 51.11 ATOM 338 HA ILE 22 8.952 -18.351 28.170 1.00 72.20 ATOM 339 CB ILE 22 9.455 -16.989 26.587 1.00 42.14 ATOM 340 HB ILE 22 9.053 -16.724 25.618 1.00 71.31 ATOM 341 CG1 ILE 22 10.887 -17.525 26.406 1.00 50.32 ATOM 342 HG11 ILE 22 10.855 -18.425 25.808 1.00 36.60 ATOM 343 HG12 ILE 22 11.302 -17.760 27.375 1.00 51.31 ATOM 344 CG2 ILE 22 9.459 -15.729 27.457 1.00 74.30 ATOM 345 HG21 ILE 22 10.122 -14.993 27.025 1.00 2.43 ATOM 346 HG22 ILE 22 9.797 -15.976 28.454 1.00 72.21 ATOM 347 HG23 ILE 22 8.459 -15.323 27.508 1.00 55.14 ATOM 348 CD1 ILE 22 11.829 -16.550 25.725 1.00 34.15 ATOM 349 HD11 ILE 22 11.444 -16.298 24.747 1.00 1.41 ATOM 350 HD12 ILE 22 12.803 -17.005 25.621 1.00 51.24 ATOM 351 HD13 ILE 22 11.914 -15.652 26.321 1.00 72.32 ATOM 352 C ILE 22 7.127 -17.500 27.421 1.00 41.12 ATOM 353 O ILE 22 6.750 -17.176 28.548 1.00 2.55 ATOM 354 N THR 23 6.340 -17.387 26.346 1.00 73.54 ATOM 355 HN THR 23 6.677 -17.686 25.474 1.00 36.60 ATOM 356 CA THR 23 4.981 -16.819 26.439 1.00 24.23 ATOM 357 HA THR 23 5.072 -15.841 26.895 1.00 14.12 ATOM 358 CB THR 23 4.319 -16.632 25.047 1.00 62.12 ATOM 359 HB THR 23 4.960 -15.998 24.450 1.00 21.20 ATOM 360 OG1 THR 23 3.038 -15.995 25.187 1.00 70.11 ATOM 361 HG1 THR 23 2.343 -16.592 24.879 1.00 24.23 ATOM 362 CG2 THR 23 4.144 -17.963 24.321 1.00 12.14 ATOM 363 HG21 THR 23 3.690 -17.790 23.355 1.00 61.30 ATOM 364 HG22 THR 23 3.509 -18.614 24.904 1.00 11.11 ATOM 365 HG23 THR 23 5.109 -18.429 24.185 1.00 64.30 ATOM 366 C THR 23 4.062 -17.677 27.324 1.00 14.43 ATOM 367 O THR 23 3.135 -17.166 27.950 1.00 12.24 ATOM 368 N LEU 24 4.327 -18.984 27.378 1.00 21.44 ATOM 369 HN LEU 24 5.038 -19.352 26.809 1.00 36.60 ATOM 370 CA LEU 24 3.570 -19.890 28.254 1.00 33.52 ATOM 371 HA LEU 24 2.536 -19.572 28.238 1.00 23.41 ATOM 372 CB LEU 24 3.646 -21.333 27.732 1.00 74.13 ATOM 373 HB1 LEU 24 3.202 -21.986 28.472 1.00 36.60 ATOM 374 HB2 LEU 24 4.689 -21.599 27.625 1.00 15.23 ATOM 375 CG LEU 24 2.943 -21.584 26.387 1.00 41.45 ATOM 376 HG LEU 24 3.381 -20.942 25.636 1.00 44.22 ATOM 377 CD1 LEU 24 3.140 -23.028 25.938 1.00 50.42 ATOM 378 HD11 LEU 24 2.661 -23.178 24.982 1.00 61.23 ATOM 379 HD12 LEU 24 2.706 -23.699 26.667 1.00 45.05 ATOM 380 HD13 LEU 24 4.197 -23.235 25.846 1.00 44.50 ATOM 381 CD2 LEU 24 1.454 -21.250 26.482 1.00 24.33 ATOM 382 HD21 LEU 24 0.985 -21.410 25.521 1.00 54.43 ATOM 383 HD22 LEU 24 1.332 -20.216 26.773 1.00 4.10 ATOM 384 HD23 LEU 24 0.987 -21.887 27.220 1.00 10.10 ATOM 385 C LEU 24 4.076 -19.828 29.708 1.00 44.13 ATOM 386 O LEU 24 3.425 -20.339 30.618 1.00 1.10 ATOM 387 N GLY 25 5.239 -19.205 29.914 1.00 13.13 ATOM 388 HN GLY 25 5.720 -18.833 29.147 1.00 36.60 ATOM 389 CA GLY 25 5.798 -19.057 31.260 1.00 12.21 ATOM 390 HA1 GLY 25 5.012 -18.737 31.930 1.00 36.60 ATOM 391 HA2 GLY 25 6.560 -18.291 31.235 1.00 12.41 ATOM 392 C GLY 25 6.416 -20.340 31.805 1.00 71.25 ATOM 393 O GLY 25 6.635 -20.473 33.010 1.00 42.12 ATOM 394 N VAL 26 6.703 -21.283 30.914 1.00 62.04 ATOM 395 HN VAL 26 6.517 -21.110 29.967 1.00 36.60 ATOM 396 CA VAL 26 7.282 -22.573 31.305 1.00 4.02 ATOM 397 HA VAL 26 6.925 -22.815 32.297 1.00 35.22 ATOM 398 CB VAL 26 6.824 -23.691 30.338 1.00 45.01 ATOM 399 HB VAL 26 7.102 -24.646 30.767 1.00 43.54 ATOM 400 CG1 VAL 26 5.308 -23.661 30.197 1.00 1.31 ATOM 401 HG11 VAL 26 4.851 -23.924 31.141 1.00 32.21 ATOM 402 HG12 VAL 26 5.000 -24.361 29.440 1.00 53.53 ATOM 403 HG13 VAL 26 4.993 -22.667 29.913 1.00 1.23 ATOM 404 CG2 VAL 26 7.499 -23.565 28.973 1.00 34.23 ATOM 405 HG21 VAL 26 7.143 -24.349 28.320 1.00 72.22 ATOM 406 HG22 VAL 26 8.568 -23.656 29.089 1.00 13.11 ATOM 407 HG23 VAL 26 7.266 -22.603 28.539 1.00 62.20 ATOM 408 C VAL 26 8.813 -22.506 31.336 1.00 33.43 ATOM 409 O VAL 26 9.473 -23.273 32.039 1.00 5.42 ATOM 410 N LEU 27 9.361 -21.578 30.561 1.00 61.23 ATOM 411 HN LEU 27 8.775 -21.038 29.991 1.00 36.60 ATOM 412 CA LEU 27 10.799 -21.329 30.524 1.00 13.21 ATOM 413 HA LEU 27 11.258 -21.878 31.336 1.00 14.31 ATOM 414 CB LEU 27 11.385 -21.815 29.189 1.00 31.30 ATOM 415 HB1 LEU 27 10.903 -21.270 28.390 1.00 36.60 ATOM 416 HB2 LEU 27 11.143 -22.864 29.078 1.00 42.01 ATOM 417 CG LEU 27 12.907 -21.651 29.030 1.00 13.32 ATOM 418 HG LEU 27 13.159 -20.603 29.120 1.00 33.23 ATOM 419 CD1 LEU 27 13.658 -22.408 30.123 1.00 4.05 ATOM 420 HD11 LEU 27 13.416 -23.460 30.068 1.00 55.13 ATOM 421 HD12 LEU 27 13.373 -22.023 31.091 1.00 10.34 ATOM 422 HD13 LEU 27 14.722 -22.277 29.986 1.00 5.23 ATOM 423 CD2 LEU 27 13.350 -22.120 27.646 1.00 41.25 ATOM 424 HD21 LEU 27 13.088 -23.160 27.514 1.00 23.33 ATOM 425 HD22 LEU 27 14.419 -22.003 27.549 1.00 22.22 ATOM 426 HD23 LEU 27 12.855 -21.527 26.891 1.00 73.12 ATOM 427 C LEU 27 11.071 -19.833 30.716 1.00 71.52 ATOM 428 O LEU 27 10.618 -19.006 29.923 1.00 65.33 ATOM 429 N GLU 28 11.789 -19.492 31.783 1.00 73.24 ATOM 430 HN GLU 28 12.141 -20.198 32.362 1.00 36.60 ATOM 431 CA GLU 28 12.078 -18.091 32.107 1.00 14.31 ATOM 432 HA GLU 28 11.129 -17.571 32.148 1.00 12.34 ATOM 433 CB GLU 28 12.746 -17.995 33.488 1.00 24.14 ATOM 434 HB1 GLU 28 12.038 -18.325 34.236 1.00 36.60 ATOM 435 HB2 GLU 28 12.998 -16.961 33.682 1.00 1.03 ATOM 436 CG GLU 28 14.014 -18.827 33.630 1.00 52.11 ATOM 437 HG1 GLU 28 14.777 -18.403 32.991 1.00 36.60 ATOM 438 HG2 GLU 28 13.804 -19.840 33.314 1.00 32.45 ATOM 439 CD GLU 28 14.534 -18.859 35.062 1.00 43.22 ATOM 440 OE1 GLU 28 15.368 -18.000 35.419 1.00 14.15 ATOM 441 OE2 GLU 28 14.100 -19.737 35.842 1.00 74.34 ATOM 442 C GLU 28 12.944 -17.424 31.024 1.00 12.44 ATOM 443 O GLU 28 13.726 -18.084 30.337 1.00 3.31 ATOM 444 N SER 29 12.801 -16.108 30.889 1.00 24.14 ATOM 445 HN SER 29 12.274 -15.621 31.553 1.00 36.60 ATOM 446 CA SER 29 13.422 -15.359 29.784 1.00 5.45 ATOM 447 HA SER 29 13.177 -15.875 28.867 1.00 5.20 ATOM 448 CB SER 29 12.850 -13.932 29.709 1.00 13.31 ATOM 449 HB1 SER 29 11.777 -13.985 29.583 1.00 36.60 ATOM 450 HB2 SER 29 13.283 -13.415 28.864 1.00 11.13 ATOM 451 OG SER 29 13.133 -13.190 30.889 1.00 2.03 ATOM 452 HG SER 29 12.320 -12.779 31.208 1.00 10.53 ATOM 453 C SER 29 14.951 -15.284 29.911 1.00 3.01 ATOM 454 O SER 29 15.482 -14.997 30.987 1.00 64.01 ATOM 455 N PRO 30 15.683 -15.534 28.804 1.00 73.11 ATOM 456 CA PRO 30 17.147 -15.375 28.771 1.00 33.22 ATOM 457 HA PRO 30 17.622 -15.922 29.573 1.00 64.12 ATOM 458 CB PRO 30 17.539 -15.990 27.419 1.00 21.30 ATOM 459 HB1 PRO 30 17.802 -17.030 27.555 1.00 36.60 ATOM 460 HB2 PRO 30 18.382 -15.453 27.001 1.00 20.32 ATOM 461 CG PRO 30 16.320 -15.842 26.573 1.00 40.22 ATOM 462 HG1 PRO 30 16.303 -16.611 25.813 1.00 36.60 ATOM 463 HG2 PRO 30 16.308 -14.862 26.115 1.00 63.01 ATOM 464 CD PRO 30 15.150 -16.001 27.506 1.00 62.41 ATOM 465 HD1 PRO 30 14.849 -17.037 27.564 1.00 36.60 ATOM 466 HD2 PRO 30 14.322 -15.384 27.184 1.00 72.01 ATOM 467 C PRO 30 17.572 -13.897 28.843 1.00 13.43 ATOM 468 O PRO 30 16.730 -12.994 28.835 1.00 13.14 ATOM 469 N LYS 31 18.875 -13.642 28.910 1.00 21.03 ATOM 470 HN LYS 31 19.514 -14.387 28.896 1.00 36.60 ATOM 471 CA LYS 31 19.372 -12.265 29.027 1.00 15.04 ATOM 472 HA LYS 31 18.585 -11.674 29.475 1.00 32.50 ATOM 473 CB LYS 31 20.597 -12.217 29.954 1.00 64.41 ATOM 474 HB1 LYS 31 20.859 -11.183 30.132 1.00 36.60 ATOM 475 HB2 LYS 31 21.425 -12.706 29.462 1.00 31.03 ATOM 476 CG LYS 31 20.381 -12.895 31.310 1.00 52.01 ATOM 477 HG1 LYS 31 21.206 -12.638 31.963 1.00 36.60 ATOM 478 HG2 LYS 31 20.364 -13.967 31.165 1.00 24.33 ATOM 479 CD LYS 31 19.070 -12.472 31.978 1.00 22.21 ATOM 480 HD1 LYS 31 18.976 -12.994 32.921 1.00 36.60 ATOM 481 HD2 LYS 31 18.246 -12.749 31.336 1.00 31.02 ATOM 482 CE LYS 31 19.003 -10.971 32.238 1.00 75.30 ATOM 483 HE1 LYS 31 19.166 -10.447 31.307 1.00 36.60 ATOM 484 HE2 LYS 31 19.776 -10.702 32.943 1.00 75.35 ATOM 485 NZ LYS 31 17.684 -10.569 32.794 1.00 31.23 ATOM 486 HZ1 LYS 31 16.927 -10.773 32.108 1.00 3.04 ATOM 487 HZ2 LYS 31 17.678 -9.552 33.006 1.00 23.24 ATOM 488 HZ3 LYS 31 17.488 -11.091 33.670 1.00 62.14 ATOM 489 C LYS 31 19.706 -11.646 27.658 1.00 73.21 ATOM 490 O LYS 31 20.140 -10.496 27.580 1.00 13.13 ATOM 491 N LYS 32 19.484 -12.401 26.582 1.00 34.54 ATOM 492 HN LYS 32 19.148 -13.312 26.702 1.00 36.60 ATOM 493 CA LYS 32 19.718 -11.897 25.222 1.00 4.44 ATOM 494 HA LYS 32 19.380 -10.871 25.189 1.00 23.14 ATOM 495 CB LYS 32 21.215 -11.937 24.872 1.00 70.01 ATOM 496 HB1 LYS 32 21.768 -11.453 25.666 1.00 36.60 ATOM 497 HB2 LYS 32 21.372 -11.387 23.955 1.00 62.53 ATOM 498 CG LYS 32 21.782 -13.345 24.686 1.00 43.43 ATOM 499 HG1 LYS 32 21.179 -13.875 23.961 1.00 36.60 ATOM 500 HG2 LYS 32 21.748 -13.866 25.633 1.00 1.33 ATOM 501 CD LYS 32 23.228 -13.304 24.195 1.00 4.33 ATOM 502 HD1 LYS 32 23.842 -12.844 24.957 1.00 36.60 ATOM 503 HD2 LYS 32 23.274 -12.711 23.293 1.00 45.11 ATOM 504 CE LYS 32 23.775 -14.695 23.894 1.00 22.53 ATOM 505 HE1 LYS 32 23.153 -15.161 23.143 1.00 36.60 ATOM 506 HE2 LYS 32 23.747 -15.284 24.800 1.00 51.44 ATOM 507 NZ LYS 32 25.175 -14.643 23.396 1.00 72.43 ATOM 508 HZ1 LYS 32 25.795 -14.202 24.106 1.00 73.42 ATOM 509 HZ2 LYS 32 25.225 -14.090 22.518 1.00 71.50 ATOM 510 HZ3 LYS 32 25.523 -15.602 23.201 1.00 2.33 ATOM 511 C LYS 32 18.928 -12.702 24.179 1.00 65.54 ATOM 512 O LYS 32 18.260 -13.685 24.507 1.00 72.30 ATOM 513 N THR 33 19.010 -12.269 22.920 1.00 63.34 ATOM 514 HN THR 33 19.504 -11.445 22.734 1.00 36.60 ATOM 515 CA THR 33 18.381 -12.987 21.805 1.00 44.10 ATOM 516 HA THR 33 17.351 -13.180 22.074 1.00 15.43 ATOM 517 CB THR 33 18.395 -12.143 20.502 1.00 0.31 ATOM 518 HB THR 33 19.423 -11.947 20.230 1.00 43.33 ATOM 519 OG1 THR 33 17.728 -10.887 20.721 1.00 72.21 ATOM 520 HG1 THR 33 17.601 -10.438 19.872 1.00 33.12 ATOM 521 CG2 THR 33 17.717 -12.886 19.350 1.00 72.21 ATOM 522 HG21 THR 33 18.255 -13.800 19.143 1.00 73.20 ATOM 523 HG22 THR 33 17.718 -12.261 18.468 1.00 51.23 ATOM 524 HG23 THR 33 16.698 -13.123 19.621 1.00 32.35 ATOM 525 C THR 33 19.089 -14.325 21.543 1.00 52.13 ATOM 526 O THR 33 20.283 -14.357 21.237 1.00 70.33 ATOM 527 N ILE 34 18.344 -15.421 21.665 1.00 20.23 ATOM 528 HN ILE 34 17.395 -15.326 21.876 1.00 36.60 ATOM 529 CA ILE 34 18.900 -16.767 21.491 1.00 13.50 ATOM 530 HA ILE 34 19.654 -16.910 22.255 1.00 32.31 ATOM 531 CB ILE 34 17.807 -17.849 21.690 1.00 64.52 ATOM 532 HB ILE 34 17.030 -17.680 20.958 1.00 64.23 ATOM 533 CG1 ILE 34 17.198 -17.740 23.097 1.00 14.14 ATOM 534 HG11 ILE 34 16.427 -18.491 23.209 1.00 36.60 ATOM 535 HG12 ILE 34 16.757 -16.762 23.218 1.00 41.14 ATOM 536 CG2 ILE 34 18.375 -19.249 21.459 1.00 51.24 ATOM 537 HG21 ILE 34 19.183 -19.434 22.154 1.00 42.22 ATOM 538 HG22 ILE 34 18.749 -19.327 20.448 1.00 23.35 ATOM 539 HG23 ILE 34 17.598 -19.983 21.610 1.00 72.12 ATOM 540 CD1 ILE 34 18.201 -17.934 24.218 1.00 73.31 ATOM 541 HD11 ILE 34 18.969 -17.177 24.151 1.00 1.23 ATOM 542 HD12 ILE 34 18.652 -18.912 24.135 1.00 15.41 ATOM 543 HD13 ILE 34 17.697 -17.851 25.168 1.00 22.12 ATOM 544 C ILE 34 19.559 -16.944 20.111 1.00 55.23 ATOM 545 O ILE 34 18.889 -16.939 19.078 1.00 61.54 ATOM 546 N SER 35 20.882 -17.089 20.111 1.00 41.21 ATOM 547 HN SER 35 21.359 -17.070 20.970 1.00 36.60 ATOM 548 CA SER 35 21.654 -17.277 18.874 1.00 34.33 ATOM 549 HA SER 35 21.158 -16.731 18.084 1.00 55.21 ATOM 550 CB SER 35 23.072 -16.719 19.049 1.00 43.24 ATOM 551 HB1 SER 35 23.616 -16.821 18.122 1.00 36.60 ATOM 552 HB2 SER 35 23.580 -17.272 19.826 1.00 24.40 ATOM 553 OG SER 35 23.047 -15.344 19.417 1.00 12.12 ATOM 554 HG SER 35 22.153 -15.102 19.696 1.00 71.13 ATOM 555 C SER 35 21.723 -18.758 18.482 1.00 10.55 ATOM 556 O SER 35 21.946 -19.097 17.317 1.00 52.42 ATOM 557 N ASP 36 21.540 -19.638 19.466 1.00 74.41 ATOM 558 HN ASP 36 21.415 -19.305 20.379 1.00 36.60 ATOM 559 CA ASP 36 21.525 -21.087 19.231 1.00 21.03 ATOM 560 HA ASP 36 21.705 -21.264 18.179 1.00 20.11 ATOM 561 CB ASP 36 22.627 -21.769 20.052 1.00 52.22 ATOM 562 HB1 ASP 36 22.710 -22.802 19.741 1.00 36.60 ATOM 563 HB2 ASP 36 22.359 -21.738 21.100 1.00 3.02 ATOM 564 CG ASP 36 23.979 -21.105 19.881 1.00 33.21 ATOM 565 OD1 ASP 36 24.342 -20.259 20.728 1.00 1.15 ATOM 566 OD2 ASP 36 24.690 -21.432 18.907 1.00 0.10 ATOM 567 C ASP 36 20.157 -21.679 19.614 1.00 15.22 ATOM 568 O ASP 36 20.002 -22.232 20.702 1.00 21.32 ATOM 569 N PRO 37 19.141 -21.568 18.736 1.00 54.31 ATOM 570 CA PRO 37 17.765 -21.991 19.063 1.00 23.42 ATOM 571 HA PRO 37 17.373 -21.426 19.899 1.00 20.24 ATOM 572 CB PRO 37 16.969 -21.638 17.794 1.00 43.41 ATOM 573 HB1 PRO 37 16.470 -20.689 17.933 1.00 36.60 ATOM 574 HB2 PRO 37 16.235 -22.406 17.595 1.00 71.34 ATOM 575 CG PRO 37 17.991 -21.559 16.709 1.00 54.23 ATOM 576 HG1 PRO 37 17.659 -20.880 15.936 1.00 36.60 ATOM 577 HG2 PRO 37 18.165 -22.542 16.296 1.00 40.35 ATOM 578 CD PRO 37 19.241 -21.037 17.364 1.00 60.32 ATOM 579 HD1 PRO 37 19.247 -19.956 17.368 1.00 36.60 ATOM 580 HD2 PRO 37 20.119 -21.420 16.862 1.00 33.01 ATOM 581 C PRO 37 17.653 -23.490 19.382 1.00 2.44 ATOM 582 O PRO 37 17.111 -23.876 20.419 1.00 45.51 ATOM 583 N GLU 38 18.184 -24.331 18.498 1.00 34.13 ATOM 584 HN GLU 38 18.654 -23.967 17.718 1.00 36.60 ATOM 585 CA GLU 38 18.100 -25.786 18.665 1.00 64.32 ATOM 586 HA GLU 38 17.066 -26.033 18.860 1.00 50.33 ATOM 587 CB GLU 38 18.535 -26.482 17.369 1.00 70.24 ATOM 588 HB1 GLU 38 18.452 -27.552 17.501 1.00 36.60 ATOM 589 HB2 GLU 38 19.566 -26.230 17.164 1.00 63.14 ATOM 590 CG GLU 38 17.690 -26.080 16.163 1.00 51.42 ATOM 591 HG1 GLU 38 17.728 -25.004 16.057 1.00 36.60 ATOM 592 HG2 GLU 38 16.667 -26.381 16.342 1.00 53.43 ATOM 593 CD GLU 38 18.161 -26.711 14.864 1.00 64.42 ATOM 594 OE1 GLU 38 17.493 -27.644 14.368 1.00 34.44 ATOM 595 OE2 GLU 38 19.193 -26.265 14.325 1.00 12.21 ATOM 596 C GLU 38 18.949 -26.266 19.852 1.00 44.04 ATOM 597 O GLU 38 18.513 -27.106 20.640 1.00 75.31 ATOM 598 N GLY 39 20.155 -25.718 19.979 1.00 74.20 ATOM 599 HN GLY 39 20.465 -25.083 19.300 1.00 36.60 ATOM 600 CA GLY 39 21.026 -26.058 21.100 1.00 44.43 ATOM 601 HA1 GLY 39 21.987 -25.591 20.945 1.00 36.60 ATOM 602 HA2 GLY 39 21.163 -27.130 21.122 1.00 11.45 ATOM 603 C GLY 39 20.472 -25.604 22.449 1.00 33.22 ATOM 604 O GLY 39 20.604 -26.307 23.454 1.00 14.31 ATOM 605 N PHE 40 19.854 -24.424 22.468 1.00 50.14 ATOM 606 HN PHE 40 19.822 -23.894 21.643 1.00 36.60 ATOM 607 CA PHE 40 19.232 -23.882 23.682 1.00 13.31 ATOM 608 HA PHE 40 19.981 -23.876 24.463 1.00 53.31 ATOM 609 CB PHE 40 18.771 -22.440 23.425 1.00 31.53 ATOM 610 HB1 PHE 40 18.107 -22.432 22.571 1.00 36.60 ATOM 611 HB2 PHE 40 19.635 -21.832 23.201 1.00 53.33 ATOM 612 CG PHE 40 18.046 -21.799 24.585 1.00 25.13 ATOM 613 CD1 PHE 40 18.727 -21.456 25.746 1.00 51.55 ATOM 614 HD1 PHE 40 19.786 -21.655 25.819 1.00 63.55 ATOM 615 CD2 PHE 40 16.684 -21.533 24.510 1.00 24.43 ATOM 616 HD2 PHE 40 16.140 -21.795 23.610 1.00 51.11 ATOM 617 CE1 PHE 40 18.065 -20.863 26.804 1.00 2.23 ATOM 618 HE1 PHE 40 18.608 -20.602 27.702 1.00 55.33 ATOM 619 CE2 PHE 40 16.020 -20.941 25.568 1.00 23.31 ATOM 620 HE2 PHE 40 14.961 -20.740 25.497 1.00 62.44 ATOM 621 CZ PHE 40 16.712 -20.606 26.716 1.00 65.00 ATOM 622 HZ PHE 40 16.194 -20.142 27.544 1.00 52.31 ATOM 623 C PHE 40 18.046 -24.748 24.139 1.00 2.32 ATOM 624 O PHE 40 17.906 -25.047 25.328 1.00 71.14 ATOM 625 N LEU 41 17.194 -25.142 23.194 1.00 54.34 ATOM 626 HN LEU 41 17.331 -24.840 22.269 1.00 36.60 ATOM 627 CA LEU 41 16.048 -26.007 23.501 1.00 13.41 ATOM 628 HA LEU 41 15.490 -25.538 24.302 1.00 63.54 ATOM 629 CB LEU 41 15.132 -26.141 22.276 1.00 31.50 ATOM 630 HB1 LEU 41 14.348 -26.847 22.513 1.00 36.60 ATOM 631 HB2 LEU 41 15.717 -26.543 21.459 1.00 64.20 ATOM 632 CG LEU 41 14.473 -24.836 21.798 1.00 32.33 ATOM 633 HG LEU 41 15.246 -24.132 21.523 1.00 45.33 ATOM 634 CD1 LEU 41 13.615 -25.087 20.563 1.00 4.34 ATOM 635 HD11 LEU 41 13.156 -24.161 20.248 1.00 21.30 ATOM 636 HD12 LEU 41 12.845 -25.810 20.795 1.00 25.22 ATOM 637 HD13 LEU 41 14.237 -25.468 19.765 1.00 5.13 ATOM 638 CD2 LEU 41 13.643 -24.210 22.915 1.00 61.20 ATOM 639 HD21 LEU 41 14.280 -23.995 23.760 1.00 32.15 ATOM 640 HD22 LEU 41 12.864 -24.896 23.216 1.00 3.21 ATOM 641 HD23 LEU 41 13.196 -23.292 22.560 1.00 50.25 ATOM 642 C LEU 41 16.506 -27.398 23.976 1.00 33.51 ATOM 643 O LEU 41 15.990 -27.922 24.960 1.00 12.31 ATOM 644 N GLN 42 17.481 -27.986 23.282 1.00 55.23 ATOM 645 HN GLN 42 17.841 -27.536 22.487 1.00 36.60 ATOM 646 CA GLN 42 18.021 -29.295 23.675 1.00 33.35 ATOM 647 HA GLN 42 17.205 -30.005 23.652 1.00 44.25 ATOM 648 CB GLN 42 19.105 -29.750 22.672 1.00 20.44 ATOM 649 HB1 GLN 42 19.964 -29.099 22.771 1.00 36.60 ATOM 650 HB2 GLN 42 18.709 -29.651 21.671 1.00 64.35 ATOM 651 CG GLN 42 19.578 -31.200 22.850 1.00 15.30 ATOM 652 HG1 GLN 42 20.045 -31.522 21.929 1.00 36.60 ATOM 653 HG2 GLN 42 18.715 -31.822 23.042 1.00 73.43 ATOM 654 CD GLN 42 20.574 -31.392 23.990 1.00 20.45 ATOM 655 OE1 GLN 42 21.371 -30.508 24.298 1.00 74.33 ATOM 656 NE2 GLN 42 20.533 -32.545 24.628 1.00 35.00 ATOM 657 HE21 GLN 42 19.874 -33.211 24.340 1.00 43.42 ATOM 658 HE22 GLN 42 21.161 -32.689 25.364 1.00 40.14 ATOM 659 C GLN 42 18.587 -29.244 25.105 1.00 33.10 ATOM 660 O GLN 42 18.352 -30.145 25.911 1.00 10.43 ATOM 661 N ALA 43 19.326 -28.179 25.411 1.00 54.43 ATOM 662 HN ALA 43 19.478 -27.495 24.724 1.00 36.60 ATOM 663 CA ALA 43 19.928 -28.001 26.739 1.00 22.43 ATOM 664 HA ALA 43 20.520 -28.882 26.957 1.00 3.14 ATOM 665 CB ALA 43 20.866 -26.796 26.729 1.00 41.24 ATOM 666 HB1 ALA 43 21.623 -26.935 25.970 1.00 1.00 ATOM 667 HB2 ALA 43 21.341 -26.697 27.695 1.00 70.44 ATOM 668 HB3 ALA 43 20.302 -25.899 26.511 1.00 71.43 ATOM 669 C ALA 43 18.864 -27.837 27.840 1.00 33.11 ATOM 670 O ALA 43 18.933 -28.486 28.884 1.00 5.34 ATOM 671 N SER 44 17.882 -26.973 27.594 1.00 32.12 ATOM 672 HN SER 44 17.852 -26.525 26.721 1.00 36.60 ATOM 673 CA SER 44 16.840 -26.665 28.589 1.00 24.01 ATOM 674 HA SER 44 17.331 -26.492 29.537 1.00 22.24 ATOM 675 CB SER 44 16.090 -25.387 28.185 1.00 45.41 ATOM 676 HB1 SER 44 16.777 -24.552 28.191 1.00 36.60 ATOM 677 HB2 SER 44 15.292 -25.197 28.888 1.00 45.43 ATOM 678 OG SER 44 15.529 -25.507 26.887 1.00 42.52 ATOM 679 HG SER 44 16.036 -24.967 26.269 1.00 4.14 ATOM 680 C SER 44 15.841 -27.822 28.760 1.00 3.25 ATOM 681 O SER 44 15.570 -28.267 29.878 1.00 14.03 ATOM 682 N LEU 45 15.299 -28.309 27.649 1.00 15.41 ATOM 683 HN LEU 45 15.574 -27.931 26.785 1.00 36.60 ATOM 684 CA LEU 45 14.287 -29.376 27.671 1.00 34.35 ATOM 685 HA LEU 45 13.528 -29.089 28.385 1.00 15.31 ATOM 686 CB LEU 45 13.634 -29.507 26.286 1.00 3.44 ATOM 687 HB1 LEU 45 12.875 -30.275 26.341 1.00 36.60 ATOM 688 HB2 LEU 45 14.392 -29.826 25.582 1.00 61.34 ATOM 689 CG LEU 45 12.978 -28.223 25.742 1.00 65.43 ATOM 690 HG LEU 45 13.733 -27.454 25.658 1.00 34.04 ATOM 691 CD1 LEU 45 12.400 -28.456 24.347 1.00 33.41 ATOM 692 HD11 LEU 45 11.647 -29.230 24.389 1.00 40.13 ATOM 693 HD12 LEU 45 13.191 -28.760 23.676 1.00 32.22 ATOM 694 HD13 LEU 45 11.955 -27.541 23.983 1.00 34.35 ATOM 695 CD2 LEU 45 11.901 -27.720 26.700 1.00 40.02 ATOM 696 HD21 LEU 45 12.353 -27.474 27.650 1.00 71.53 ATOM 697 HD22 LEU 45 11.155 -28.488 26.846 1.00 21.40 ATOM 698 HD23 LEU 45 11.432 -26.838 26.287 1.00 55.40 ATOM 699 C LEU 45 14.871 -30.736 28.100 1.00 33.31 ATOM 700 O LEU 45 14.124 -31.647 28.455 1.00 71.14 ATOM 701 N LYS 46 16.199 -30.851 28.086 1.00 31.34 ATOM 702 HN LYS 46 16.736 -30.066 27.847 1.00 36.60 ATOM 703 CA LYS 46 16.894 -32.114 28.397 1.00 53.05 ATOM 704 HA LYS 46 16.707 -32.800 27.583 1.00 10.33 ATOM 705 CB LYS 46 18.405 -31.866 28.494 1.00 55.41 ATOM 706 HB1 LYS 46 18.606 -31.279 29.379 1.00 36.60 ATOM 707 HB2 LYS 46 18.723 -31.309 27.625 1.00 51.41 ATOM 708 CG LYS 46 19.232 -33.146 28.572 1.00 31.31 ATOM 709 HG1 LYS 46 19.140 -33.673 27.632 1.00 36.60 ATOM 710 HG2 LYS 46 18.840 -33.766 29.365 1.00 13.33 ATOM 711 CD LYS 46 20.714 -32.881 28.845 1.00 24.21 ATOM 712 HD1 LYS 46 21.044 -32.065 28.215 1.00 36.60 ATOM 713 HD2 LYS 46 21.276 -33.768 28.597 1.00 21.22 ATOM 714 CE LYS 46 20.987 -32.519 30.307 1.00 3.30 ATOM 715 HE1 LYS 46 22.056 -32.532 30.472 1.00 36.60 ATOM 716 HE2 LYS 46 20.523 -33.261 30.939 1.00 30.20 ATOM 717 NZ LYS 46 20.459 -31.177 30.680 1.00 13.42 ATOM 718 HZ1 LYS 46 20.782 -30.920 31.635 1.00 63.20 ATOM 719 HZ2 LYS 46 19.419 -31.181 30.674 1.00 4.20 ATOM 720 HZ3 LYS 46 20.798 -30.458 30.008 1.00 53.44 ATOM 721 C LYS 46 16.411 -32.758 29.712 1.00 1.02 ATOM 722 O LYS 46 16.230 -33.972 29.792 1.00 52.41 ATOM 723 N ASP 47 16.221 -31.938 30.741 1.00 75.41 ATOM 724 HN ASP 47 16.342 -30.975 30.607 1.00 36.60 ATOM 725 CA ASP 47 15.858 -32.433 32.075 1.00 10.22 ATOM 726 HA ASP 47 16.383 -33.364 32.230 1.00 63.20 ATOM 727 CB ASP 47 16.331 -31.430 33.131 1.00 12.33 ATOM 728 HB1 ASP 47 16.086 -31.805 34.115 1.00 36.60 ATOM 729 HB2 ASP 47 15.828 -30.485 32.976 1.00 63.21 ATOM 730 CG ASP 47 17.833 -31.202 33.055 1.00 4.51 ATOM 731 OD1 ASP 47 18.568 -31.726 33.918 1.00 43.03 ATOM 732 OD2 ASP 47 18.290 -30.517 32.114 1.00 2.13 ATOM 733 C ASP 47 14.346 -32.702 32.216 1.00 34.11 ATOM 734 O ASP 47 13.873 -33.087 33.288 1.00 74.01 ATOM 735 N GLY 48 13.593 -32.487 31.137 1.00 72.12 ATOM 736 HN GLY 48 14.017 -32.133 30.328 1.00 36.60 ATOM 737 CA GLY 48 12.162 -32.797 31.122 1.00 23.45 ATOM 738 HA1 GLY 48 12.020 -33.783 31.543 1.00 36.60 ATOM 739 HA2 GLY 48 11.834 -32.818 30.095 1.00 12.24 ATOM 740 C GLY 48 11.276 -31.808 31.886 1.00 45.41 ATOM 741 O GLY 48 10.127 -31.585 31.501 1.00 44.44 ATOM 742 N VAL 49 11.802 -31.212 32.957 1.00 2.14 ATOM 743 HN VAL 49 12.739 -31.387 33.179 1.00 36.60 ATOM 744 CA VAL 49 11.023 -30.309 33.824 1.00 2.03 ATOM 745 HA VAL 49 10.293 -30.912 34.347 1.00 1.03 ATOM 746 CB VAL 49 11.933 -29.632 34.883 1.00 41.10 ATOM 747 HB VAL 49 12.634 -28.993 34.364 1.00 54.23 ATOM 748 CG1 VAL 49 11.114 -28.759 35.834 1.00 32.54 ATOM 749 HG11 VAL 49 10.396 -29.372 36.359 1.00 44.23 ATOM 750 HG12 VAL 49 10.592 -28.001 35.269 1.00 40.14 ATOM 751 HG13 VAL 49 11.771 -28.285 36.547 1.00 3.24 ATOM 752 CG2 VAL 49 12.735 -30.680 35.659 1.00 3.40 ATOM 753 HG21 VAL 49 12.059 -31.362 36.155 1.00 60.00 ATOM 754 HG22 VAL 49 13.355 -30.190 36.396 1.00 1.00 ATOM 755 HG23 VAL 49 13.364 -31.234 34.976 1.00 41.13 ATOM 756 C VAL 49 10.275 -29.219 33.025 1.00 23.42 ATOM 757 O VAL 49 9.094 -28.958 33.265 1.00 22.44 ATOM 758 N VAL 50 10.962 -28.589 32.071 1.00 0.02 ATOM 759 HN VAL 50 11.904 -28.822 31.928 1.00 36.60 ATOM 760 CA VAL 50 10.341 -27.555 31.232 1.00 31.11 ATOM 761 HA VAL 50 9.908 -26.813 31.891 1.00 22.24 ATOM 762 CB VAL 50 11.388 -26.849 30.331 1.00 40.34 ATOM 763 HB VAL 50 11.788 -27.580 29.638 1.00 52.15 ATOM 764 CG1 VAL 50 10.740 -25.729 29.516 1.00 31.43 ATOM 765 HG11 VAL 50 11.486 -25.257 28.893 1.00 32.11 ATOM 766 HG12 VAL 50 10.314 -24.994 30.185 1.00 31.23 ATOM 767 HG13 VAL 50 9.961 -26.140 28.891 1.00 13.33 ATOM 768 CG2 VAL 50 12.546 -26.305 31.169 1.00 14.30 ATOM 769 HG21 VAL 50 12.173 -25.566 31.865 1.00 20.41 ATOM 770 HG22 VAL 50 13.280 -25.848 30.519 1.00 31.52 ATOM 771 HG23 VAL 50 13.007 -27.114 31.717 1.00 54.44 ATOM 772 C VAL 50 9.220 -28.147 30.353 1.00 41.24 ATOM 773 O VAL 50 8.198 -27.501 30.112 1.00 52.32 ATOM 774 N LEU 51 9.412 -29.387 29.894 1.00 44.34 ATOM 775 HN LEU 51 10.249 -29.848 30.109 1.00 36.60 ATOM 776 CA LEU 51 8.397 -30.086 29.088 1.00 2.43 ATOM 777 HA LEU 51 8.139 -29.443 28.258 1.00 23.45 ATOM 778 CB LEU 51 8.961 -31.405 28.539 1.00 70.24 ATOM 779 HB1 LEU 51 8.151 -31.957 28.083 1.00 36.60 ATOM 780 HB2 LEU 51 9.338 -31.984 29.373 1.00 1.41 ATOM 781 CG LEU 51 10.088 -31.264 27.502 1.00 2.22 ATOM 782 HG LEU 51 10.893 -30.688 27.935 1.00 74.33 ATOM 783 CD1 LEU 51 10.647 -32.634 27.124 1.00 53.14 ATOM 784 HD11 LEU 51 11.447 -32.511 26.408 1.00 2.20 ATOM 785 HD12 LEU 51 9.865 -33.239 26.689 1.00 73.42 ATOM 786 HD13 LEU 51 11.030 -33.123 28.008 1.00 40.43 ATOM 787 CD2 LEU 51 9.591 -30.521 26.260 1.00 31.22 ATOM 788 HD21 LEU 51 10.390 -30.457 25.535 1.00 33.32 ATOM 789 HD22 LEU 51 9.278 -29.524 26.536 1.00 55.54 ATOM 790 HD23 LEU 51 8.754 -31.053 25.828 1.00 4.04 ATOM 791 C LEU 51 7.131 -30.362 29.911 1.00 42.54 ATOM 792 O LEU 51 6.012 -30.231 29.415 1.00 52.34 ATOM 793 N CYS 52 7.319 -30.746 31.171 1.00 31.45 ATOM 794 HN CYS 52 8.236 -30.889 31.494 1.00 36.60 ATOM 795 CA CYS 52 6.196 -30.973 32.088 1.00 34.31 ATOM 796 HA CYS 52 5.581 -31.757 31.668 1.00 15.34 ATOM 797 CB CYS 52 6.712 -31.428 33.458 1.00 44.03 ATOM 798 HB1 CYS 52 5.870 -31.625 34.107 1.00 36.60 ATOM 799 HB2 CYS 52 7.315 -30.641 33.888 1.00 53.31 ATOM 800 SG CYS 52 7.727 -32.926 33.408 1.00 20.12 ATOM 801 HG CYS 52 7.525 -33.530 32.246 1.00 33.54 ATOM 802 C CYS 52 5.343 -29.702 32.241 1.00 13.35 ATOM 803 O CYS 52 4.125 -29.730 32.050 1.00 20.34 ATOM 804 N ARG 53 5.998 -28.586 32.574 1.00 32.20 ATOM 805 HN ARG 53 6.958 -28.641 32.774 1.00 36.60 ATOM 806 CA ARG 53 5.326 -27.282 32.656 1.00 32.22 ATOM 807 HA ARG 53 4.570 -27.348 33.427 1.00 13.14 ATOM 808 CB ARG 53 6.340 -26.193 33.043 1.00 74.54 ATOM 809 HB1 ARG 53 5.883 -25.222 32.901 1.00 36.60 ATOM 810 HB2 ARG 53 7.199 -26.272 32.390 1.00 73.13 ATOM 811 CG ARG 53 6.829 -26.284 34.488 1.00 71.34 ATOM 812 HG1 ARG 53 7.210 -27.280 34.667 1.00 36.60 ATOM 813 HG2 ARG 53 5.997 -26.093 35.151 1.00 24.01 ATOM 814 CD ARG 53 7.936 -25.269 34.781 1.00 14.13 ATOM 815 HD1 ARG 53 7.621 -24.298 34.424 1.00 36.60 ATOM 816 HD2 ARG 53 8.831 -25.569 34.254 1.00 53.44 ATOM 817 NE ARG 53 8.230 -25.174 36.213 1.00 54.33 ATOM 818 HE ARG 53 7.472 -25.062 36.820 1.00 12.20 ATOM 819 CZ ARG 53 9.428 -25.214 36.734 1.00 64.42 ATOM 820 NH1 ARG 53 10.474 -25.355 35.982 1.00 33.32 ATOM 821 HH11 ARG 53 10.370 -25.432 34.998 1.00 11.13 ATOM 822 HH12 ARG 53 11.378 -25.385 36.396 1.00 11.25 ATOM 823 NH2 ARG 53 9.577 -25.105 38.012 1.00 12.21 ATOM 824 HH21 ARG 53 8.774 -24.987 38.597 1.00 53.03 ATOM 825 HH22 ARG 53 10.489 -25.142 38.415 1.00 32.34 ATOM 826 C ARG 53 4.643 -26.922 31.322 1.00 15.30 ATOM 827 O ARG 53 3.511 -26.432 31.302 1.00 53.12 ATOM 828 N LEU 54 5.344 -27.173 30.214 1.00 61.42 ATOM 829 HN LEU 54 6.257 -27.519 30.303 1.00 36.60 ATOM 830 CA LEU 54 4.802 -26.944 28.866 1.00 23.15 ATOM 831 HA LEU 54 4.656 -25.882 28.743 1.00 11.33 ATOM 832 CB LEU 54 5.810 -27.432 27.813 1.00 71.44 ATOM 833 HB1 LEU 54 6.040 -28.467 28.025 1.00 36.60 ATOM 834 HB2 LEU 54 6.718 -26.853 27.922 1.00 31.12 ATOM 835 CG LEU 54 5.349 -27.335 26.348 1.00 3.25 ATOM 836 HG LEU 54 4.442 -27.909 26.227 1.00 1.23 ATOM 837 CD1 LEU 54 5.036 -25.892 25.965 1.00 42.14 ATOM 838 HD11 LEU 54 5.915 -25.279 26.106 1.00 71.53 ATOM 839 HD12 LEU 54 4.234 -25.518 26.585 1.00 23.52 ATOM 840 HD13 LEU 54 4.734 -25.853 24.928 1.00 30.41 ATOM 841 CD2 LEU 54 6.403 -27.925 25.414 1.00 71.43 ATOM 842 HD21 LEU 54 6.065 -27.844 24.391 1.00 31.01 ATOM 843 HD22 LEU 54 6.559 -28.966 25.658 1.00 62.11 ATOM 844 HD23 LEU 54 7.333 -27.386 25.528 1.00 5.10 ATOM 845 C LEU 54 3.453 -27.648 28.674 1.00 32.33 ATOM 846 O LEU 54 2.470 -27.035 28.244 1.00 24.23 ATOM 847 N LEU 55 3.410 -28.932 29.009 1.00 0.44 ATOM 848 HN LEU 55 4.223 -29.363 29.354 1.00 36.60 ATOM 849 CA LEU 55 2.187 -29.723 28.873 1.00 23.23 ATOM 850 HA LEU 55 1.853 -29.637 27.848 1.00 13.13 ATOM 851 CB LEU 55 2.476 -31.202 29.175 1.00 72.42 ATOM 852 HB1 LEU 55 2.800 -31.282 30.204 1.00 36.60 ATOM 853 HB2 LEU 55 3.287 -31.523 28.536 1.00 32.04 ATOM 854 CG LEU 55 1.289 -32.162 28.967 1.00 61.24 ATOM 855 HG LEU 55 0.461 -31.835 29.580 1.00 40.45 ATOM 856 CD1 LEU 55 0.825 -32.145 27.511 1.00 25.14 ATOM 857 HD11 LEU 55 0.507 -31.148 27.244 1.00 60.22 ATOM 858 HD12 LEU 55 -0.002 -32.830 27.388 1.00 42.05 ATOM 859 HD13 LEU 55 1.640 -32.447 26.868 1.00 14.02 ATOM 860 CD2 LEU 55 1.661 -33.578 29.397 1.00 53.52 ATOM 861 HD21 LEU 55 0.811 -34.231 29.264 1.00 15.20 ATOM 862 HD22 LEU 55 1.950 -33.574 30.438 1.00 34.53 ATOM 863 HD23 LEU 55 2.487 -33.935 28.798 1.00 65.50 ATOM 864 C LEU 55 1.071 -29.199 29.794 1.00 54.35 ATOM 865 O LEU 55 -0.088 -29.145 29.398 1.00 2.51 ATOM 866 N GLU 56 1.428 -28.791 31.012 1.00 22.05 ATOM 867 HN GLU 56 2.378 -28.806 31.263 1.00 36.60 ATOM 868 CA GLU 56 0.432 -28.326 31.993 1.00 74.33 ATOM 869 HA GLU 56 -0.358 -29.063 32.019 1.00 65.31 ATOM 870 CB GLU 56 1.052 -28.240 33.391 1.00 32.05 ATOM 871 HB1 GLU 56 0.318 -27.832 34.074 1.00 36.60 ATOM 872 HB2 GLU 56 1.904 -27.575 33.355 1.00 22.11 ATOM 873 CG GLU 56 1.518 -29.583 33.938 1.00 22.33 ATOM 874 HG1 GLU 56 2.315 -29.955 33.310 1.00 36.60 ATOM 875 HG2 GLU 56 0.689 -30.277 33.910 1.00 14.20 ATOM 876 CD GLU 56 2.028 -29.487 35.365 1.00 50.23 ATOM 877 OE1 GLU 56 3.147 -28.975 35.569 1.00 72.14 ATOM 878 OE2 GLU 56 1.311 -29.915 36.292 1.00 42.24 ATOM 879 C GLU 56 -0.192 -26.969 31.618 1.00 41.44 ATOM 880 O GLU 56 -1.309 -26.660 32.038 1.00 55.13 ATOM 881 N ARG 57 0.526 -26.154 30.848 1.00 14.30 ATOM 882 HN ARG 57 1.435 -26.421 30.585 1.00 36.60 ATOM 883 CA ARG 57 -0.007 -24.858 30.394 1.00 41.23 ATOM 884 HA ARG 57 -0.517 -24.405 31.233 1.00 12.40 ATOM 885 CB ARG 57 1.139 -23.933 29.961 1.00 2.30 ATOM 886 HB1 ARG 57 0.726 -23.065 29.467 1.00 36.60 ATOM 887 HB2 ARG 57 1.770 -24.465 29.262 1.00 30.33 ATOM 888 CG ARG 57 2.007 -23.457 31.125 1.00 31.33 ATOM 889 HG1 ARG 57 2.852 -22.910 30.730 1.00 36.60 ATOM 890 HG2 ARG 57 2.360 -24.318 31.673 1.00 0.51 ATOM 891 CD ARG 57 1.236 -22.550 32.081 1.00 33.31 ATOM 892 HD1 ARG 57 1.838 -22.387 32.964 1.00 36.60 ATOM 893 HD2 ARG 57 0.316 -23.043 32.364 1.00 5.15 ATOM 894 NE ARG 57 0.920 -21.254 31.480 1.00 24.33 ATOM 895 HE ARG 57 1.595 -20.851 30.900 1.00 63.44 ATOM 896 CZ ARG 57 -0.187 -20.593 31.690 1.00 51.05 ATOM 897 NH1 ARG 57 -1.121 -21.086 32.441 1.00 10.51 ATOM 898 HH11 ARG 57 -1.001 -21.977 32.866 1.00 63.14 ATOM 899 HH12 ARG 57 -1.967 -20.568 32.586 1.00 15.24 ATOM 900 NH2 ARG 57 -0.361 -19.428 31.147 1.00 11.35 ATOM 901 HH21 ARG 57 0.347 -19.032 30.566 1.00 2.42 ATOM 902 HH22 ARG 57 -1.211 -18.926 31.313 1.00 25.24 ATOM 903 C ARG 57 -1.022 -25.031 29.251 1.00 22.22 ATOM 904 O ARG 57 -1.823 -24.134 28.972 1.00 64.15 ATOM 905 N LEU 58 -0.979 -26.187 28.597 1.00 54.53 ATOM 906 HN LEU 58 -0.279 -26.833 28.831 1.00 36.60 ATOM 907 CA LEU 58 -1.937 -26.528 27.539 1.00 41.44 ATOM 908 HA LEU 58 -2.408 -25.614 27.202 1.00 10.31 ATOM 909 CB LEU 58 -1.192 -27.175 26.361 1.00 10.01 ATOM 910 HB1 LEU 58 -1.904 -27.361 25.569 1.00 36.60 ATOM 911 HB2 LEU 58 -0.793 -28.125 26.694 1.00 74.54 ATOM 912 CG LEU 58 -0.036 -26.336 25.786 1.00 50.14 ATOM 913 HG LEU 58 0.670 -26.124 26.578 1.00 41.34 ATOM 914 CD1 LEU 58 0.709 -27.102 24.696 1.00 14.15 ATOM 915 HD11 LEU 58 0.032 -27.328 23.884 1.00 44.00 ATOM 916 HD12 LEU 58 1.100 -28.023 25.103 1.00 33.10 ATOM 917 HD13 LEU 58 1.525 -26.500 24.325 1.00 22.34 ATOM 918 CD2 LEU 58 -0.552 -24.998 25.252 1.00 31.45 ATOM 919 HD21 LEU 58 -1.253 -25.175 24.449 1.00 52.24 ATOM 920 HD22 LEU 58 0.278 -24.413 24.882 1.00 24.45 ATOM 921 HD23 LEU 58 -1.045 -24.457 26.047 1.00 75.41 ATOM 922 C LEU 58 -3.020 -27.476 28.083 1.00 14.50 ATOM 923 O LEU 58 -4.218 -27.191 28.009 1.00 32.44 ATOM 924 N LEU 59 -2.578 -28.611 28.616 1.00 21.11 ATOM 925 HN LEU 59 -1.630 -28.832 28.525 1.00 36.60 ATOM 926 CA LEU 59 -3.452 -29.552 29.324 1.00 54.14 ATOM 927 HA LEU 59 -4.479 -29.297 29.095 1.00 51.25 ATOM 928 CB LEU 59 -3.174 -30.985 28.844 1.00 32.01 ATOM 929 HB1 LEU 59 -3.842 -31.655 29.368 1.00 36.60 ATOM 930 HB2 LEU 59 -2.157 -31.239 29.110 1.00 31.11 ATOM 931 CG LEU 59 -3.351 -31.214 27.333 1.00 3.14 ATOM 932 HG LEU 59 -2.693 -30.544 26.798 1.00 51.32 ATOM 933 CD1 LEU 59 -2.967 -32.642 26.952 1.00 51.44 ATOM 934 HD11 LEU 59 -3.574 -33.342 27.510 1.00 15.35 ATOM 935 HD12 LEU 59 -1.925 -32.810 27.180 1.00 62.32 ATOM 936 HD13 LEU 59 -3.130 -32.789 25.895 1.00 21.13 ATOM 937 CD2 LEU 59 -4.784 -30.908 26.900 1.00 65.43 ATOM 938 HD21 LEU 59 -5.469 -31.556 27.427 1.00 33.03 ATOM 939 HD22 LEU 59 -4.882 -31.071 25.836 1.00 22.54 ATOM 940 HD23 LEU 59 -5.017 -29.877 27.127 1.00 20.12 ATOM 941 C LEU 59 -3.229 -29.433 30.848 1.00 35.41 ATOM 942 O LEU 59 -2.274 -29.997 31.395 1.00 42.43 ATOM 943 N PRO 60 -4.112 -28.693 31.554 1.00 25.30 ATOM 944 CA PRO 60 -3.893 -28.300 32.962 1.00 51.52 ATOM 945 HA PRO 60 -3.035 -27.646 33.043 1.00 74.43 ATOM 946 CB PRO 60 -5.164 -27.503 33.318 1.00 31.14 ATOM 947 HB1 PRO 60 -4.959 -26.442 33.254 1.00 36.60 ATOM 948 HB2 PRO 60 -5.486 -27.749 34.321 1.00 31.25 ATOM 949 CG PRO 60 -6.176 -27.919 32.304 1.00 32.13 ATOM 950 HG1 PRO 60 -6.887 -27.122 32.143 1.00 36.60 ATOM 951 HG2 PRO 60 -6.683 -28.814 32.636 1.00 0.31 ATOM 952 CD PRO 60 -5.403 -28.193 31.045 1.00 22.45 ATOM 953 HD1 PRO 60 -5.267 -27.284 30.476 1.00 36.60 ATOM 954 HD2 PRO 60 -5.904 -28.943 30.449 1.00 21.43 ATOM 955 C PRO 60 -3.702 -29.483 33.929 1.00 33.45 ATOM 956 O PRO 60 -4.659 -30.166 34.297 1.00 34.53 ATOM 957 N GLY 61 -2.450 -29.729 34.321 1.00 53.23 ATOM 958 HN GLY 61 -1.715 -29.236 33.901 1.00 36.60 ATOM 959 CA GLY 61 -2.157 -30.718 35.356 1.00 51.02 ATOM 960 HA1 GLY 61 -2.861 -30.589 36.165 1.00 36.60 ATOM 961 HA2 GLY 61 -1.164 -30.528 35.736 1.00 22.54 ATOM 962 C GLY 61 -2.215 -32.170 34.883 1.00 22.21 ATOM 963 O GLY 61 -2.475 -33.071 35.680 1.00 65.32 ATOM 964 N THR 62 -1.976 -32.411 33.594 1.00 64.14 ATOM 965 HN THR 62 -1.847 -31.655 32.980 1.00 36.60 ATOM 966 CA THR 62 -1.931 -33.790 33.071 1.00 73.50 ATOM 967 HA THR 62 -2.850 -34.282 33.366 1.00 25.23 ATOM 968 CB THR 62 -1.850 -33.815 31.522 1.00 72.20 ATOM 969 HB THR 62 -0.969 -33.271 31.214 1.00 12.05 ATOM 970 OG1 THR 62 -3.007 -33.181 30.955 1.00 0.41 ATOM 971 HG1 THR 62 -3.558 -32.816 31.659 1.00 63.35 ATOM 972 CG2 THR 62 -1.753 -35.243 30.987 1.00 24.02 ATOM 973 HG21 THR 62 -1.695 -35.220 29.908 1.00 42.43 ATOM 974 HG22 THR 62 -2.627 -35.804 31.287 1.00 52.34 ATOM 975 HG23 THR 62 -0.867 -35.717 31.384 1.00 32.21 ATOM 976 C THR 62 -0.742 -34.572 33.660 1.00 31.51 ATOM 977 O THR 62 -0.811 -35.790 33.841 1.00 2.20 ATOM 978 N ILE 63 0.343 -33.859 33.964 1.00 35.31 ATOM 979 HN ILE 63 0.348 -32.902 33.763 1.00 36.60 ATOM 980 CA ILE 63 1.527 -34.458 34.597 1.00 41.30 ATOM 981 HA ILE 63 1.883 -35.258 33.957 1.00 41.22 ATOM 982 CB ILE 63 2.659 -33.409 34.746 1.00 14.31 ATOM 983 HB ILE 63 2.281 -32.597 35.353 1.00 34.44 ATOM 984 CG1 ILE 63 3.063 -32.853 33.369 1.00 54.42 ATOM 985 HG11 ILE 63 3.814 -32.086 33.503 1.00 36.60 ATOM 986 HG12 ILE 63 2.195 -32.415 32.897 1.00 4.21 ATOM 987 CG2 ILE 63 3.871 -34.008 35.464 1.00 31.10 ATOM 988 HG21 ILE 63 3.585 -34.321 36.459 1.00 4.05 ATOM 989 HG22 ILE 63 4.653 -33.265 35.534 1.00 14.14 ATOM 990 HG23 ILE 63 4.234 -34.861 34.910 1.00 23.04 ATOM 991 CD1 ILE 63 3.626 -33.894 32.421 1.00 24.22 ATOM 992 HD11 ILE 63 3.841 -33.433 31.468 1.00 53.34 ATOM 993 HD12 ILE 63 2.905 -34.686 32.283 1.00 13.20 ATOM 994 HD13 ILE 63 4.536 -34.304 32.835 1.00 62.24 ATOM 995 C ILE 63 1.187 -35.039 35.982 1.00 73.30 ATOM 996 O ILE 63 0.640 -34.342 36.840 1.00 60.34 ATOM 997 N GLU 64 1.530 -36.307 36.196 1.00 14.35 ATOM 998 HN GLU 64 2.029 -36.790 35.501 1.00 36.60 ATOM 999 CA GLU 64 1.200 -37.009 37.441 1.00 44.12 ATOM 1000 HA GLU 64 0.296 -36.569 37.840 1.00 31.33 ATOM 1001 CB GLU 64 0.935 -38.491 37.142 1.00 12.00 ATOM 1002 HB1 GLU 64 1.827 -38.923 36.707 1.00 36.60 ATOM 1003 HB2 GLU 64 0.129 -38.562 36.424 1.00 61.32 ATOM 1004 CG GLU 64 0.554 -39.314 38.367 1.00 0.32 ATOM 1005 HG1 GLU 64 -0.308 -38.860 38.836 1.00 36.60 ATOM 1006 HG2 GLU 64 1.383 -39.308 39.062 1.00 40.31 ATOM 1007 CD GLU 64 0.218 -40.753 38.015 1.00 33.21 ATOM 1008 OE1 GLU 64 1.035 -41.654 38.308 1.00 41.23 ATOM 1009 OE2 GLU 64 -0.863 -40.982 37.429 1.00 54.04 ATOM 1010 C GLU 64 2.316 -36.874 38.489 1.00 1.11 ATOM 1011 O GLU 64 2.051 -36.607 39.663 1.00 72.43 ATOM 1012 N LYS 65 3.565 -37.069 38.067 1.00 14.21 ATOM 1013 HN LYS 65 3.723 -37.287 37.120 1.00 36.60 ATOM 1014 CA LYS 65 4.704 -36.975 38.986 1.00 53.33 ATOM 1015 HA LYS 65 4.446 -36.258 39.754 1.00 34.42 ATOM 1016 CB LYS 65 4.960 -38.336 39.653 1.00 65.23 ATOM 1017 HB1 LYS 65 5.232 -39.053 38.890 1.00 36.60 ATOM 1018 HB2 LYS 65 4.046 -38.665 40.127 1.00 60.33 ATOM 1019 CG LYS 65 6.067 -38.318 40.709 1.00 23.41 ATOM 1020 HG1 LYS 65 6.993 -38.009 40.241 1.00 36.60 ATOM 1021 HG2 LYS 65 6.185 -39.316 41.109 1.00 41.34 ATOM 1022 CD LYS 65 5.746 -37.361 41.857 1.00 64.23 ATOM 1023 HD1 LYS 65 4.812 -37.657 42.312 1.00 36.60 ATOM 1024 HD2 LYS 65 5.652 -36.360 41.461 1.00 53.24 ATOM 1025 CE LYS 65 6.838 -37.368 42.922 1.00 13.04 ATOM 1026 HE1 LYS 65 6.610 -36.609 43.659 1.00 36.60 ATOM 1027 HE2 LYS 65 7.784 -37.139 42.454 1.00 54.43 ATOM 1028 NZ LYS 65 6.945 -38.685 43.605 1.00 32.12 ATOM 1029 HZ1 LYS 65 6.075 -38.885 44.135 1.00 63.15 ATOM 1030 HZ2 LYS 65 7.747 -38.685 44.265 1.00 15.33 ATOM 1031 HZ3 LYS 65 7.088 -39.444 42.907 1.00 24.14 ATOM 1032 C LYS 65 5.975 -36.482 38.277 1.00 21.23 ATOM 1033 O LYS 65 6.646 -37.240 37.575 1.00 14.40 ATOM 1034 N VAL 66 6.298 -35.206 38.469 1.00 42.01 ATOM 1035 HN VAL 66 5.696 -34.641 39.000 1.00 36.60 ATOM 1036 CA VAL 66 7.523 -34.616 37.914 1.00 32.24 ATOM 1037 HA VAL 66 7.924 -35.302 37.179 1.00 13.32 ATOM 1038 CB VAL 66 7.230 -33.263 37.211 1.00 70.50 ATOM 1039 HB VAL 66 6.487 -33.439 36.444 1.00 45.05 ATOM 1040 CG1 VAL 66 6.654 -32.249 38.197 1.00 53.22 ATOM 1041 HG11 VAL 66 5.754 -32.650 38.642 1.00 72.03 ATOM 1042 HG12 VAL 66 6.418 -31.332 37.675 1.00 32.05 ATOM 1043 HG13 VAL 66 7.379 -32.045 38.973 1.00 55.53 ATOM 1044 CG2 VAL 66 8.486 -32.711 36.533 1.00 41.01 ATOM 1045 HG21 VAL 66 8.851 -33.428 35.812 1.00 33.32 ATOM 1046 HG22 VAL 66 9.250 -32.528 37.277 1.00 22.12 ATOM 1047 HG23 VAL 66 8.248 -31.785 36.029 1.00 72.42 ATOM 1048 C VAL 66 8.575 -34.398 39.014 1.00 35.11 ATOM 1049 O VAL 66 8.235 -34.124 40.168 1.00 5.11 ATOM 1050 N TYR 67 9.848 -34.539 38.661 1.00 61.21 ATOM 1051 HN TYR 67 10.060 -34.815 37.743 1.00 36.60 ATOM 1052 CA TYR 67 10.943 -34.299 39.606 1.00 20.33 ATOM 1053 HA TYR 67 10.530 -34.291 40.605 1.00 5.43 ATOM 1054 CB TYR 67 11.988 -35.424 39.509 1.00 31.53 ATOM 1055 HB1 TYR 67 12.634 -35.382 40.377 1.00 36.60 ATOM 1056 HB2 TYR 67 12.584 -35.277 38.619 1.00 62.23 ATOM 1057 CG TYR 67 11.387 -36.821 39.444 1.00 54.02 ATOM 1058 CD1 TYR 67 11.848 -37.746 38.515 1.00 11.13 ATOM 1059 HD1 TYR 67 12.647 -37.463 37.845 1.00 42.43 ATOM 1060 CD2 TYR 67 10.354 -37.211 40.295 1.00 12.10 ATOM 1061 HD2 TYR 67 9.978 -36.507 41.024 1.00 51.11 ATOM 1062 CE1 TYR 67 11.306 -39.012 38.434 1.00 75.34 ATOM 1063 HE1 TYR 67 11.682 -39.713 37.702 1.00 35.01 ATOM 1064 CE2 TYR 67 9.808 -38.480 40.219 1.00 15.44 ATOM 1065 HE2 TYR 67 9.008 -38.765 40.888 1.00 3.22 ATOM 1066 CZ TYR 67 10.288 -39.375 39.286 1.00 11.31 ATOM 1067 OH TYR 67 9.741 -40.638 39.194 1.00 24.51 ATOM 1068 HH TYR 67 8.841 -40.568 38.837 1.00 31.50 ATOM 1069 C TYR 67 11.602 -32.935 39.326 1.00 22.05 ATOM 1070 O TYR 67 12.407 -32.809 38.401 1.00 23.25 ATOM 1071 N PRO 68 11.266 -31.889 40.117 1.00 53.21 ATOM 1072 CA PRO 68 11.788 -30.521 39.896 1.00 42.43 ATOM 1073 HA PRO 68 11.559 -30.173 38.899 1.00 62.14 ATOM 1074 CB PRO 68 11.018 -29.675 40.922 1.00 45.44 ATOM 1075 HB1 PRO 68 10.154 -29.227 40.450 1.00 36.60 ATOM 1076 HB2 PRO 68 11.659 -28.898 41.314 1.00 73.01 ATOM 1077 CG PRO 68 10.614 -30.640 41.985 1.00 70.22 ATOM 1078 HG1 PRO 68 9.716 -30.294 42.477 1.00 36.60 ATOM 1079 HG2 PRO 68 11.416 -30.752 42.704 1.00 35.42 ATOM 1080 CD PRO 68 10.355 -31.946 41.279 1.00 32.23 ATOM 1081 HD1 PRO 68 9.324 -32.007 40.957 1.00 36.60 ATOM 1082 HD2 PRO 68 10.601 -32.779 41.924 1.00 22.45 ATOM 1083 C PRO 68 13.305 -30.413 40.126 1.00 24.01 ATOM 1084 O PRO 68 13.950 -29.463 39.678 1.00 74.41 ATOM 1085 N GLU 69 13.866 -31.391 40.833 1.00 72.40 ATOM 1086 HN GLU 69 13.294 -32.093 41.202 1.00 36.60 ATOM 1087 CA GLU 69 15.311 -31.452 41.073 1.00 4.05 ATOM 1088 HA GLU 69 15.788 -30.720 40.436 1.00 54.32 ATOM 1089 CB GLU 69 15.624 -31.115 42.539 1.00 2.53 ATOM 1090 HB1 GLU 69 16.687 -31.233 42.704 1.00 36.60 ATOM 1091 HB2 GLU 69 15.094 -31.809 43.176 1.00 60.24 ATOM 1092 CG GLU 69 15.233 -29.698 42.948 1.00 4.35 ATOM 1093 HG1 GLU 69 14.178 -29.560 42.755 1.00 36.60 ATOM 1094 HG2 GLU 69 15.798 -28.998 42.349 1.00 23.44 ATOM 1095 CD GLU 69 15.506 -29.408 44.415 1.00 21.20 ATOM 1096 OE1 GLU 69 16.689 -29.324 44.797 1.00 24.00 ATOM 1097 OE2 GLU 69 14.538 -29.245 45.190 1.00 34.21 ATOM 1098 C GLU 69 15.867 -32.845 40.721 1.00 61.41 ATOM 1099 O GLU 69 16.130 -33.659 41.608 1.00 11.40 ATOM 1100 N PRO 70 16.030 -33.148 39.419 1.00 52.50 ATOM 1101 CA PRO 70 16.531 -34.456 38.969 1.00 40.11 ATOM 1102 HA PRO 70 16.001 -35.266 39.453 1.00 63.34 ATOM 1103 CB PRO 70 16.204 -34.456 37.470 1.00 24.13 ATOM 1104 HB1 PRO 70 15.229 -34.896 37.310 1.00 36.60 ATOM 1105 HB2 PRO 70 16.951 -35.023 36.930 1.00 35.01 ATOM 1106 CG PRO 70 16.219 -33.016 37.079 1.00 32.14 ATOM 1107 HG1 PRO 70 15.554 -32.855 36.243 1.00 36.60 ATOM 1108 HG2 PRO 70 17.226 -32.717 36.819 1.00 60.23 ATOM 1109 CD PRO 70 15.739 -32.245 38.285 1.00 23.32 ATOM 1110 HD1 PRO 70 14.678 -32.050 38.214 1.00 36.60 ATOM 1111 HD2 PRO 70 16.286 -31.318 38.384 1.00 64.33 ATOM 1112 C PRO 70 18.043 -34.628 39.206 1.00 45.01 ATOM 1113 O PRO 70 18.863 -33.927 38.612 1.00 64.21 ATOM 1114 N ARG 71 18.406 -35.565 40.080 1.00 14.24 ATOM 1115 HN ARG 71 17.710 -36.102 40.519 1.00 36.60 ATOM 1116 CA ARG 71 19.815 -35.822 40.402 1.00 3.23 ATOM 1117 HA ARG 71 20.348 -34.881 40.363 1.00 25.40 ATOM 1118 CB ARG 71 19.938 -36.413 41.815 1.00 12.53 ATOM 1119 HB1 ARG 71 20.985 -36.445 42.088 1.00 36.60 ATOM 1120 HB2 ARG 71 19.553 -37.423 41.802 1.00 35.12 ATOM 1121 CG ARG 71 19.186 -35.635 42.890 1.00 1.03 ATOM 1122 HG1 ARG 71 19.307 -36.144 43.836 1.00 36.60 ATOM 1123 HG2 ARG 71 18.137 -35.609 42.631 1.00 53.45 ATOM 1124 CD ARG 71 19.690 -34.204 43.030 1.00 71.24 ATOM 1125 HD1 ARG 71 19.566 -33.696 42.085 1.00 36.60 ATOM 1126 HD2 ARG 71 20.738 -34.226 43.294 1.00 33.21 ATOM 1127 NE ARG 71 18.955 -33.475 44.063 1.00 61.24 ATOM 1128 HE ARG 71 18.510 -34.002 44.758 1.00 2.34 ATOM 1129 CZ ARG 71 18.850 -32.175 44.116 1.00 13.54 ATOM 1130 NH1 ARG 71 19.426 -31.423 43.230 1.00 20.42 ATOM 1131 HH11 ARG 71 19.957 -31.835 42.491 1.00 30.31 ATOM 1132 HH12 ARG 71 19.344 -30.428 43.293 1.00 54.42 ATOM 1133 NH2 ARG 71 18.167 -31.626 45.065 1.00 24.54 ATOM 1134 HH21 ARG 71 17.729 -32.196 45.758 1.00 31.23 ATOM 1135 HH22 ARG 71 18.061 -30.633 45.095 1.00 64.20 ATOM 1136 C ARG 71 20.441 -36.792 39.387 1.00 33.51 ATOM 1137 O ARG 71 21.547 -36.570 38.887 1.00 63.25 ATOM 1138 N SER 72 19.714 -37.867 39.090 1.00 31.41 ATOM 1139 HN SER 72 18.823 -37.957 39.490 1.00 36.60 ATOM 1140 CA SER 72 20.197 -38.918 38.183 1.00 70.44 ATOM 1141 HA SER 72 21.262 -38.785 38.054 1.00 61.32 ATOM 1142 CB SER 72 19.942 -40.301 38.798 1.00 33.32 ATOM 1143 HB1 SER 72 20.363 -41.060 38.154 1.00 36.60 ATOM 1144 HB2 SER 72 18.879 -40.460 38.892 1.00 24.23 ATOM 1145 OG SER 72 20.533 -40.416 40.084 1.00 13.50 ATOM 1146 HG SER 72 19.982 -39.958 40.732 1.00 44.15 ATOM 1147 C SER 72 19.520 -38.840 36.806 1.00 41.43 ATOM 1148 O SER 72 18.429 -38.280 36.667 1.00 50.45 ATOM 1149 N GLU 73 20.170 -39.430 35.801 1.00 42.24 ATOM 1150 HN GLU 73 21.032 -39.860 35.989 1.00 36.60 ATOM 1151 CA GLU 73 19.656 -39.453 34.422 1.00 12.43 ATOM 1152 HA GLU 73 19.691 -38.442 34.043 1.00 0.15 ATOM 1153 CB GLU 73 20.559 -40.341 33.548 1.00 41.55 ATOM 1154 HB1 GLU 73 20.612 -41.327 33.992 1.00 36.60 ATOM 1155 HB2 GLU 73 21.551 -39.915 33.529 1.00 0.04 ATOM 1156 CG GLU 73 20.079 -40.489 32.108 1.00 43.11 ATOM 1157 HG1 GLU 73 20.087 -39.516 31.639 1.00 36.60 ATOM 1158 HG2 GLU 73 19.067 -40.870 32.118 1.00 73.22 ATOM 1159 CD GLU 73 20.944 -41.435 31.289 1.00 55.10 ATOM 1160 OE1 GLU 73 21.018 -42.633 31.633 1.00 3.43 ATOM 1161 OE2 GLU 73 21.543 -40.994 30.290 1.00 51.52 ATOM 1162 C GLU 73 18.202 -39.958 34.356 1.00 52.04 ATOM 1163 O GLU 73 17.349 -39.344 33.708 1.00 73.31 ATOM 1164 N SER 74 17.928 -41.068 35.043 1.00 23.42 ATOM 1165 HN SER 74 18.647 -41.494 35.558 1.00 36.60 ATOM 1166 CA SER 74 16.589 -41.689 35.043 1.00 1.32 ATOM 1167 HA SER 74 16.406 -42.070 34.048 1.00 2.55 ATOM 1168 CB SER 74 16.538 -42.859 36.037 1.00 13.02 ATOM 1169 HB1 SER 74 15.597 -43.380 35.931 1.00 36.60 ATOM 1170 HB2 SER 74 16.627 -42.480 37.044 1.00 14.01 ATOM 1171 OG SER 74 17.594 -43.781 35.809 1.00 11.11 ATOM 1172 HG SER 74 17.283 -44.491 35.228 1.00 32.34 ATOM 1173 C SER 74 15.484 -40.681 35.394 1.00 25.15 ATOM 1174 O SER 74 14.381 -40.734 34.846 1.00 13.31 ATOM 1175 N GLU 75 15.788 -39.755 36.303 1.00 20.54 ATOM 1176 HN GLU 75 16.690 -39.743 36.688 1.00 36.60 ATOM 1177 CA GLU 75 14.817 -38.743 36.733 1.00 11.21 ATOM 1178 HA GLU 75 13.905 -39.260 37.001 1.00 63.55 ATOM 1179 CB GLU 75 15.338 -37.992 37.963 1.00 43.34 ATOM 1180 HB1 GLU 75 14.632 -37.215 38.224 1.00 36.60 ATOM 1181 HB2 GLU 75 16.286 -37.535 37.717 1.00 12.14 ATOM 1182 CG GLU 75 15.540 -38.884 39.184 1.00 22.22 ATOM 1183 HG1 GLU 75 16.264 -39.649 38.939 1.00 36.60 ATOM 1184 HG2 GLU 75 14.597 -39.353 39.432 1.00 33.24 ATOM 1185 CD GLU 75 16.033 -38.114 40.396 1.00 43.52 ATOM 1186 OE1 GLU 75 17.258 -38.075 40.623 1.00 31.40 ATOM 1187 OE2 GLU 75 15.199 -37.542 41.126 1.00 4.10 ATOM 1188 C GLU 75 14.504 -37.754 35.601 1.00 45.22 ATOM 1189 O GLU 75 13.338 -37.533 35.266 1.00 24.13 ATOM 1190 N CYS 76 15.549 -37.168 35.012 1.00 61.02 ATOM 1191 HN CYS 76 16.452 -37.349 35.352 1.00 36.60 ATOM 1192 CA CYS 76 15.387 -36.254 33.869 1.00 4.15 ATOM 1193 HA CYS 76 14.865 -35.373 34.217 1.00 3.11 ATOM 1194 CB CYS 76 16.758 -35.838 33.316 1.00 73.24 ATOM 1195 HB1 CYS 76 16.614 -35.167 32.480 1.00 36.60 ATOM 1196 HB2 CYS 76 17.283 -36.719 32.977 1.00 61.42 ATOM 1197 SG CYS 76 17.823 -34.999 34.515 1.00 54.41 ATOM 1198 HG CYS 76 17.557 -33.698 34.465 1.00 22.30 ATOM 1199 C CYS 76 14.569 -36.912 32.750 1.00 64.13 ATOM 1200 O CYS 76 13.634 -36.318 32.210 1.00 55.31 ATOM 1201 N LEU 77 14.929 -38.152 32.421 1.00 53.00 ATOM 1202 HN LEU 77 15.696 -38.560 32.879 1.00 36.60 ATOM 1203 CA LEU 77 14.225 -38.924 31.393 1.00 22.14 ATOM 1204 HA LEU 77 14.232 -38.340 30.484 1.00 4.11 ATOM 1205 CB LEU 77 14.962 -40.248 31.139 1.00 2.14 ATOM 1206 HB1 LEU 77 14.433 -40.790 30.368 1.00 36.60 ATOM 1207 HB2 LEU 77 14.933 -40.833 32.050 1.00 32.22 ATOM 1208 CG LEU 77 16.431 -40.103 30.703 1.00 41.11 ATOM 1209 HG LEU 77 16.979 -39.594 31.484 1.00 24.22 ATOM 1210 CD1 LEU 77 17.081 -41.466 30.499 1.00 34.02 ATOM 1211 HD11 LEU 77 16.567 -41.999 29.713 1.00 24.42 ATOM 1212 HD12 LEU 77 17.025 -42.034 31.418 1.00 24.21 ATOM 1213 HD13 LEU 77 18.119 -41.332 30.223 1.00 2.44 ATOM 1214 CD2 LEU 77 16.538 -39.265 29.435 1.00 61.44 ATOM 1215 HD21 LEU 77 17.572 -39.201 29.132 1.00 53.21 ATOM 1216 HD22 LEU 77 16.158 -38.272 29.626 1.00 13.23 ATOM 1217 HD23 LEU 77 15.961 -39.726 28.645 1.00 4.12 ATOM 1218 C LEU 77 12.765 -39.195 31.793 1.00 31.03 ATOM 1219 O LEU 77 11.862 -39.140 30.956 1.00 62.42 ATOM 1220 N SER 78 12.540 -39.481 33.077 1.00 43.44 ATOM 1221 HN SER 78 13.303 -39.540 33.690 1.00 36.60 ATOM 1222 CA SER 78 11.183 -39.719 33.598 1.00 55.45 ATOM 1223 HA SER 78 10.763 -40.549 33.048 1.00 1.12 ATOM 1224 CB SER 78 11.225 -40.083 35.090 1.00 14.53 ATOM 1225 HB1 SER 78 11.615 -39.247 35.654 1.00 36.60 ATOM 1226 HB2 SER 78 11.867 -40.940 35.230 1.00 35.43 ATOM 1227 OG SER 78 9.929 -40.404 35.584 1.00 1.20 ATOM 1228 HG SER 78 9.533 -39.621 35.990 1.00 73.44 ATOM 1229 C SER 78 10.286 -38.492 33.389 1.00 10.42 ATOM 1230 O SER 78 9.133 -38.616 32.965 1.00 52.14 ATOM 1231 N ASN 79 10.827 -37.305 33.676 1.00 2.05 ATOM 1232 HN ASN 79 11.732 -37.274 34.053 1.00 36.60 ATOM 1233 CA ASN 79 10.104 -36.046 33.449 1.00 1.42 ATOM 1234 HA ASN 79 9.218 -36.054 34.070 1.00 42.15 ATOM 1235 CB ASN 79 10.980 -34.849 33.838 1.00 62.04 ATOM 1236 HB1 ASN 79 10.420 -33.937 33.683 1.00 36.60 ATOM 1237 HB2 ASN 79 11.858 -34.834 33.207 1.00 2.51 ATOM 1238 CG ASN 79 11.432 -34.891 35.287 1.00 61.21 ATOM 1239 OD1 ASN 79 10.762 -35.451 36.145 1.00 14.40 ATOM 1240 ND2 ASN 79 12.571 -34.293 35.574 1.00 13.25 ATOM 1241 HD21 ASN 79 13.062 -33.859 34.846 1.00 22.03 ATOM 1242 HD22 ASN 79 12.871 -34.301 36.504 1.00 34.41 ATOM 1243 C ASN 79 9.674 -35.922 31.977 1.00 65.34 ATOM 1244 O ASN 79 8.559 -35.487 31.668 1.00 71.23 ATOM 1245 N ILE 80 10.569 -36.316 31.071 1.00 4.32 ATOM 1246 HN ILE 80 11.462 -36.594 31.373 1.00 36.60 ATOM 1247 CA ILE 80 10.261 -36.340 29.640 1.00 32.54 ATOM 1248 HA ILE 80 9.898 -35.358 29.359 1.00 33.50 ATOM 1249 CB ILE 80 11.522 -36.655 28.794 1.00 63.31 ATOM 1250 HB ILE 80 11.849 -37.655 29.041 1.00 74.43 ATOM 1251 CG1 ILE 80 12.653 -35.664 29.122 1.00 33.30 ATOM 1252 HG11 ILE 80 12.843 -35.686 30.185 1.00 36.60 ATOM 1253 HG12 ILE 80 12.346 -34.667 28.839 1.00 41.51 ATOM 1254 CG2 ILE 80 11.190 -36.622 27.299 1.00 33.23 ATOM 1255 HG21 ILE 80 10.446 -37.373 27.078 1.00 34.23 ATOM 1256 HG22 ILE 80 12.083 -36.823 26.726 1.00 44.44 ATOM 1257 HG23 ILE 80 10.805 -35.647 27.034 1.00 4.45 ATOM 1258 CD1 ILE 80 13.959 -35.963 28.412 1.00 11.12 ATOM 1259 HD11 ILE 80 14.695 -35.222 28.687 1.00 14.20 ATOM 1260 HD12 ILE 80 13.805 -35.937 27.344 1.00 64.33 ATOM 1261 HD13 ILE 80 14.310 -36.943 28.701 1.00 53.14 ATOM 1262 C ILE 80 9.172 -37.384 29.334 1.00 55.14 ATOM 1263 O ILE 80 8.270 -37.140 28.532 1.00 11.13 ATOM 1264 N ARG 81 9.253 -38.543 29.995 1.00 23.34 ATOM 1265 HN ARG 81 9.987 -38.674 30.633 1.00 36.60 ATOM 1266 CA ARG 81 8.270 -39.618 29.800 1.00 33.14 ATOM 1267 HA ARG 81 8.224 -39.822 28.738 1.00 2.44 ATOM 1268 CB ARG 81 8.711 -40.902 30.523 1.00 22.01 ATOM 1269 HB1 ARG 81 7.934 -41.647 30.417 1.00 36.60 ATOM 1270 HB2 ARG 81 8.841 -40.683 31.574 1.00 42.13 ATOM 1271 CG ARG 81 10.018 -41.499 29.994 1.00 60.21 ATOM 1272 HG1 ARG 81 10.292 -42.343 30.613 1.00 36.60 ATOM 1273 HG2 ARG 81 10.793 -40.748 30.053 1.00 23.10 ATOM 1274 CD ARG 81 9.903 -41.969 28.542 1.00 30.21 ATOM 1275 HD1 ARG 81 9.586 -41.136 27.931 1.00 36.60 ATOM 1276 HD2 ARG 81 9.164 -42.756 28.487 1.00 72.35 ATOM 1277 NE ARG 81 11.179 -42.478 28.029 1.00 65.45 ATOM 1278 HE ARG 81 11.958 -42.415 28.620 1.00 11.32 ATOM 1279 CZ ARG 81 11.348 -42.997 26.838 1.00 13.04 ATOM 1280 NH1 ARG 81 10.348 -43.150 26.030 1.00 30.25 ATOM 1281 HH11 ARG 81 9.432 -42.878 26.310 1.00 43.33 ATOM 1282 HH12 ARG 81 10.496 -43.544 25.121 1.00 74.55 ATOM 1283 NH2 ARG 81 12.527 -43.378 26.464 1.00 74.34 ATOM 1284 HH21 ARG 81 13.308 -43.275 27.085 1.00 53.14 ATOM 1285 HH22 ARG 81 12.654 -43.788 25.564 1.00 43.12 ATOM 1286 C ARG 81 6.865 -39.196 30.270 1.00 30.51 ATOM 1287 O ARG 81 5.865 -39.652 29.721 1.00 32.31 ATOM 1288 N GLU 82 6.790 -38.338 31.290 1.00 44.21 ATOM 1289 HN GLU 82 7.607 -38.108 31.786 1.00 36.60 ATOM 1290 CA GLU 82 5.508 -37.743 31.704 1.00 2.14 ATOM 1291 HA GLU 82 4.819 -38.553 31.905 1.00 63.41 ATOM 1292 CB GLU 82 5.681 -36.908 32.984 1.00 55.11 ATOM 1293 HB1 GLU 82 4.825 -36.256 33.095 1.00 36.60 ATOM 1294 HB2 GLU 82 6.569 -36.300 32.885 1.00 43.30 ATOM 1295 CG GLU 82 5.813 -37.739 34.257 1.00 10.23 ATOM 1296 HG1 GLU 82 6.021 -37.076 35.085 1.00 36.60 ATOM 1297 HG2 GLU 82 6.636 -38.428 34.139 1.00 34.43 ATOM 1298 CD GLU 82 4.552 -38.534 34.575 1.00 23.33 ATOM 1299 OE1 GLU 82 4.497 -39.743 34.245 1.00 30.34 ATOM 1300 OE2 GLU 82 3.609 -37.953 35.156 1.00 44.22 ATOM 1301 C GLU 82 4.922 -36.871 30.583 1.00 3.20 ATOM 1302 O GLU 82 3.725 -36.937 30.283 1.00 72.40 ATOM 1303 N PHE 83 5.777 -36.059 29.964 1.00 73.14 ATOM 1304 HN PHE 83 6.701 -36.006 30.291 1.00 36.60 ATOM 1305 CA PHE 83 5.383 -35.241 28.811 1.00 10.53 ATOM 1306 HA PHE 83 4.590 -34.577 29.129 1.00 15.42 ATOM 1307 CB PHE 83 6.581 -34.402 28.341 1.00 55.22 ATOM 1308 HB1 PHE 83 7.419 -35.060 28.155 1.00 36.60 ATOM 1309 HB2 PHE 83 6.849 -33.707 29.123 1.00 55.12 ATOM 1310 CG PHE 83 6.325 -33.606 27.085 1.00 54.20 ATOM 1311 CD1 PHE 83 6.862 -34.008 25.868 1.00 3.50 ATOM 1312 HD1 PHE 83 7.467 -34.903 25.824 1.00 61.24 ATOM 1313 CD2 PHE 83 5.550 -32.456 27.121 1.00 3.21 ATOM 1314 HD2 PHE 83 5.125 -32.131 28.060 1.00 14.52 ATOM 1315 CE1 PHE 83 6.632 -33.279 24.719 1.00 40.34 ATOM 1316 HE1 PHE 83 7.056 -33.602 23.778 1.00 33.13 ATOM 1317 CE2 PHE 83 5.318 -31.725 25.973 1.00 10.33 ATOM 1318 HE2 PHE 83 4.712 -30.831 26.015 1.00 64.12 ATOM 1319 CZ PHE 83 5.859 -32.137 24.771 1.00 70.12 ATOM 1320 HZ PHE 83 5.679 -31.565 23.872 1.00 3.21 ATOM 1321 C PHE 83 4.862 -36.122 27.663 1.00 41.24 ATOM 1322 O PHE 83 3.792 -35.873 27.101 1.00 41.43 ATOM 1323 N LEU 84 5.629 -37.157 27.331 1.00 73.05 ATOM 1324 HN LEU 84 6.480 -37.281 27.803 1.00 36.60 ATOM 1325 CA LEU 84 5.252 -38.112 26.283 1.00 31.42 ATOM 1326 HA LEU 84 5.101 -37.557 25.367 1.00 33.43 ATOM 1327 CB LEU 84 6.383 -39.128 26.073 1.00 43.11 ATOM 1328 HB1 LEU 84 6.102 -39.787 25.263 1.00 36.60 ATOM 1329 HB2 LEU 84 6.479 -39.718 26.975 1.00 44.33 ATOM 1330 CG LEU 84 7.759 -38.520 25.743 1.00 75.23 ATOM 1331 HG LEU 84 8.034 -37.834 26.532 1.00 74.12 ATOM 1332 CD1 LEU 84 8.832 -39.606 25.680 1.00 61.14 ATOM 1333 HD11 LEU 84 8.878 -40.122 26.628 1.00 40.53 ATOM 1334 HD12 LEU 84 9.790 -39.153 25.473 1.00 21.23 ATOM 1335 HD13 LEU 84 8.591 -40.311 24.897 1.00 41.10 ATOM 1336 CD2 LEU 84 7.707 -37.731 24.435 1.00 73.32 ATOM 1337 HD21 LEU 84 7.432 -38.392 23.625 1.00 3.24 ATOM 1338 HD22 LEU 84 8.678 -37.301 24.235 1.00 35.24 ATOM 1339 HD23 LEU 84 6.976 -36.940 24.518 1.00 72.21 ATOM 1340 C LEU 84 3.948 -38.849 26.638 1.00 64.20 ATOM 1341 O LEU 84 3.079 -39.051 25.785 1.00 13.14 ATOM 1342 N ARG 85 3.823 -39.239 27.906 1.00 74.04 ATOM 1343 HN ARG 85 4.561 -39.066 28.528 1.00 36.60 ATOM 1344 CA ARG 85 2.625 -39.920 28.406 1.00 21.22 ATOM 1345 HA ARG 85 2.514 -40.844 27.857 1.00 13.52 ATOM 1346 CB ARG 85 2.787 -40.243 29.900 1.00 71.23 ATOM 1347 HB1 ARG 85 2.980 -39.322 30.435 1.00 36.60 ATOM 1348 HB2 ARG 85 3.637 -40.900 30.023 1.00 21.12 ATOM 1349 CG ARG 85 1.570 -40.915 30.530 1.00 53.13 ATOM 1350 HG1 ARG 85 0.704 -40.287 30.373 1.00 36.60 ATOM 1351 HG2 ARG 85 1.744 -41.027 31.590 1.00 42.33 ATOM 1352 CD ARG 85 1.302 -42.290 29.931 1.00 52.51 ATOM 1353 HD1 ARG 85 1.135 -42.183 28.868 1.00 36.60 ATOM 1354 HD2 ARG 85 0.414 -42.702 30.391 1.00 52.31 ATOM 1355 NE ARG 85 2.424 -43.203 30.146 1.00 21.12 ATOM 1356 HE ARG 85 3.308 -42.913 29.841 1.00 14.22 ATOM 1357 CZ ARG 85 2.325 -44.366 30.730 1.00 34.12 ATOM 1358 NH1 ARG 85 1.174 -44.808 31.126 1.00 3.23 ATOM 1359 HH11 ARG 85 0.351 -44.262 30.981 1.00 3.12 ATOM 1360 HH12 ARG 85 1.112 -45.693 31.580 1.00 54.55 ATOM 1361 NH2 ARG 85 3.382 -45.089 30.913 1.00 32.35 ATOM 1362 HH21 ARG 85 4.272 -44.756 30.608 1.00 52.35 ATOM 1363 HH22 ARG 85 3.306 -45.977 31.364 1.00 34.42 ATOM 1364 C ARG 85 1.368 -39.065 28.195 1.00 31.34 ATOM 1365 O ARG 85 0.402 -39.508 27.579 1.00 62.33 ATOM 1366 N GLY 86 1.391 -37.837 28.707 1.00 35.34 ATOM 1367 HN GLY 86 2.193 -37.532 29.187 1.00 36.60 ATOM 1368 CA GLY 86 0.246 -36.944 28.569 1.00 23.03 ATOM 1369 HA1 GLY 86 0.474 -36.011 29.061 1.00 36.60 ATOM 1370 HA2 GLY 86 -0.607 -37.393 29.057 1.00 72.54 ATOM 1371 C GLY 86 -0.116 -36.655 27.114 1.00 72.14 ATOM 1372 O GLY 86 -1.282 -36.759 26.719 1.00 40.21 ATOM 1373 N CYS 87 0.889 -36.304 26.313 1.00 42.43 ATOM 1374 HN CYS 87 1.794 -36.235 26.688 1.00 36.60 ATOM 1375 CA CYS 87 0.684 -36.003 24.891 1.00 13.42 ATOM 1376 HA CYS 87 -0.079 -35.242 24.827 1.00 13.24 ATOM 1377 CB CYS 87 1.975 -35.454 24.270 1.00 0.30 ATOM 1378 HB1 CYS 87 1.828 -35.315 23.208 1.00 36.60 ATOM 1379 HB2 CYS 87 2.774 -36.165 24.427 1.00 62.14 ATOM 1380 SG CYS 87 2.509 -33.870 24.963 1.00 1.32 ATOM 1381 HG CYS 87 3.820 -33.927 25.148 1.00 75.44 ATOM 1382 C CYS 87 0.207 -37.233 24.104 1.00 33.20 ATOM 1383 O CYS 87 -0.521 -37.103 23.122 1.00 61.43 ATOM 1384 N GLY 88 0.615 -38.423 24.540 1.00 61.41 ATOM 1385 HN GLY 88 1.213 -38.468 25.316 1.00 36.60 ATOM 1386 CA GLY 88 0.201 -39.656 23.873 1.00 73.24 ATOM 1387 HA1 GLY 88 0.963 -40.405 24.033 1.00 36.60 ATOM 1388 HA2 GLY 88 0.123 -39.468 22.811 1.00 50.23 ATOM 1389 C GLY 88 -1.139 -40.205 24.376 1.00 13.14 ATOM 1390 O GLY 88 -1.889 -40.816 23.617 1.00 62.15 ATOM 1391 N ALA 89 -1.443 -39.980 25.654 1.00 62.04 ATOM 1392 HN ALA 89 -0.825 -39.451 26.199 1.00 36.60 ATOM 1393 CA ALA 89 -2.669 -40.513 26.273 1.00 71.43 ATOM 1394 HA ALA 89 -2.878 -41.470 25.817 1.00 1.54 ATOM 1395 CB ALA 89 -2.446 -40.747 27.766 1.00 11.41 ATOM 1396 HB1 ALA 89 -2.299 -39.799 28.264 1.00 11.30 ATOM 1397 HB2 ALA 89 -1.570 -41.364 27.906 1.00 5.15 ATOM 1398 HB3 ALA 89 -3.307 -41.245 28.188 1.00 62.45 ATOM 1399 C ALA 89 -3.883 -39.594 26.053 1.00 74.13 ATOM 1400 O ALA 89 -5.013 -40.065 25.900 1.00 31.02 ATOM 1401 N SER 90 -3.652 -38.283 26.057 1.00 54.33 ATOM 1402 HN SER 90 -2.736 -37.961 26.205 1.00 36.60 ATOM 1403 CA SER 90 -4.735 -37.307 25.853 1.00 20.45 ATOM 1404 HA SER 90 -5.663 -37.772 26.155 1.00 33.52 ATOM 1405 CB SER 90 -4.501 -36.062 26.724 1.00 23.42 ATOM 1406 HB1 SER 90 -3.566 -35.598 26.442 1.00 36.60 ATOM 1407 HB2 SER 90 -4.454 -36.356 27.762 1.00 30.10 ATOM 1408 OG SER 90 -5.546 -35.113 26.569 1.00 10.43 ATOM 1409 HG SER 90 -5.507 -34.475 27.297 1.00 11.32 ATOM 1410 C SER 90 -4.848 -36.898 24.375 1.00 20.45 ATOM 1411 O SER 90 -5.845 -37.191 23.712 1.00 14.03 ATOM 1412 N LEU 91 -3.810 -36.240 23.859 1.00 53.11 ATOM 1413 HN LEU 91 -3.039 -36.055 24.432 1.00 36.60 ATOM 1414 CA LEU 91 -3.782 -35.771 22.462 1.00 25.44 ATOM 1415 HA LEU 91 -4.751 -35.352 22.231 1.00 11.05 ATOM 1416 CB LEU 91 -2.720 -34.668 22.320 1.00 34.21 ATOM 1417 HB1 LEU 91 -2.481 -34.555 21.270 1.00 36.60 ATOM 1418 HB2 LEU 91 -1.828 -34.994 22.838 1.00 4.23 ATOM 1419 CG LEU 91 -3.122 -33.293 22.871 1.00 13.01 ATOM 1420 HG LEU 91 -3.601 -33.418 23.832 1.00 22.32 ATOM 1421 CD1 LEU 91 -1.895 -32.408 23.065 1.00 34.33 ATOM 1422 HD11 LEU 91 -1.396 -32.265 22.116 1.00 64.52 ATOM 1423 HD12 LEU 91 -1.216 -32.880 23.760 1.00 41.43 ATOM 1424 HD13 LEU 91 -2.200 -31.449 23.459 1.00 63.41 ATOM 1425 CD2 LEU 91 -4.118 -32.622 21.928 1.00 11.21 ATOM 1426 HD21 LEU 91 -4.362 -31.638 22.299 1.00 20.33 ATOM 1427 HD22 LEU 91 -5.017 -33.218 21.872 1.00 32.00 ATOM 1428 HD23 LEU 91 -3.680 -32.537 20.940 1.00 4.25 ATOM 1429 C LEU 91 -3.483 -36.905 21.466 1.00 32.34 ATOM 1430 O LEU 91 -3.985 -36.903 20.341 1.00 41.12 ATOM 1431 N ARG 92 -2.659 -37.855 21.896 1.00 34.04 ATOM 1432 HN ARG 92 -2.363 -37.828 22.828 1.00 36.60 ATOM 1433 CA ARG 92 -2.165 -38.936 21.036 1.00 10.31 ATOM 1434 HA ARG 92 -1.411 -39.465 21.602 1.00 71.54 ATOM 1435 CB ARG 92 -3.285 -39.926 20.678 1.00 62.43 ATOM 1436 HB1 ARG 92 -3.993 -39.434 20.027 1.00 36.60 ATOM 1437 HB2 ARG 92 -3.790 -40.227 21.586 1.00 24.33 ATOM 1438 CG ARG 92 -2.767 -41.176 19.974 1.00 62.15 ATOM 1439 HG1 ARG 92 -2.047 -41.663 20.618 1.00 36.60 ATOM 1440 HG2 ARG 92 -2.281 -40.881 19.055 1.00 64.35 ATOM 1441 CD ARG 92 -3.878 -42.161 19.643 1.00 70.04 ATOM 1442 HD1 ARG 92 -4.605 -41.671 19.010 1.00 36.60 ATOM 1443 HD2 ARG 92 -4.355 -42.476 20.562 1.00 45.54 ATOM 1444 NE ARG 92 -3.360 -43.337 18.949 1.00 54.35 ATOM 1445 HE ARG 92 -2.402 -43.355 18.748 1.00 21.04 ATOM 1446 CZ ARG 92 -4.088 -44.350 18.576 1.00 43.04 ATOM 1447 NH1 ARG 92 -5.361 -44.374 18.817 1.00 72.00 ATOM 1448 HH11 ARG 92 -5.793 -43.609 19.292 1.00 43.54 ATOM 1449 HH12 ARG 92 -5.911 -45.152 18.521 1.00 54.32 ATOM 1450 NH2 ARG 92 -3.535 -45.339 17.953 1.00 51.51 ATOM 1451 HH21 ARG 92 -2.557 -45.320 17.762 1.00 11.42 ATOM 1452 HH22 ARG 92 -4.087 -46.117 17.658 1.00 75.04 ATOM 1453 C ARG 92 -1.495 -38.378 19.767 1.00 13.12 ATOM 1454 O ARG 92 -1.950 -38.602 18.642 1.00 72.43 ATOM 1455 N LEU 93 -0.421 -37.625 19.966 1.00 21.34 ATOM 1456 HN LEU 93 -0.129 -37.453 20.885 1.00 36.60 ATOM 1457 CA LEU 93 0.338 -37.037 18.858 1.00 43.52 ATOM 1458 HA LEU 93 -0.247 -37.164 17.956 1.00 65.35 ATOM 1459 CB LEU 93 0.535 -35.526 19.103 1.00 14.32 ATOM 1460 HB1 LEU 93 -0.430 -35.048 19.012 1.00 36.60 ATOM 1461 HB2 LEU 93 1.176 -35.140 18.322 1.00 1.12 ATOM 1462 CG LEU 93 1.142 -35.125 20.468 1.00 44.45 ATOM 1463 HG LEU 93 0.694 -35.737 21.239 1.00 22.54 ATOM 1464 CD1 LEU 93 2.650 -35.366 20.511 1.00 62.43 ATOM 1465 HD11 LEU 93 2.850 -36.418 20.375 1.00 3.12 ATOM 1466 HD12 LEU 93 3.039 -35.048 21.467 1.00 71.54 ATOM 1467 HD13 LEU 93 3.129 -34.804 19.723 1.00 31.21 ATOM 1468 CD2 LEU 93 0.826 -33.668 20.793 1.00 55.11 ATOM 1469 HD21 LEU 93 1.282 -33.402 21.737 1.00 65.43 ATOM 1470 HD22 LEU 93 -0.244 -33.537 20.864 1.00 30.34 ATOM 1471 HD23 LEU 93 1.216 -33.029 20.013 1.00 31.32 ATOM 1472 C LEU 93 1.688 -37.746 18.656 1.00 52.34 ATOM 1473 O LEU 93 2.130 -38.516 19.510 1.00 14.21 ATOM 1474 N GLU 94 2.337 -37.482 17.523 1.00 3.53 ATOM 1475 HN GLU 94 1.916 -36.891 16.860 1.00 36.60 ATOM 1476 CA GLU 94 3.656 -38.062 17.231 1.00 11.41 ATOM 1477 HA GLU 94 3.550 -39.138 17.252 1.00 61.34 ATOM 1478 CB GLU 94 4.130 -37.640 15.833 1.00 55.21 ATOM 1479 HB1 GLU 94 5.104 -38.074 15.649 1.00 36.60 ATOM 1480 HB2 GLU 94 4.217 -36.562 15.803 1.00 41.14 ATOM 1481 CG GLU 94 3.196 -38.074 14.709 1.00 73.35 ATOM 1482 HG1 GLU 94 2.244 -37.577 14.833 1.00 36.60 ATOM 1483 HG2 GLU 94 3.050 -39.144 14.770 1.00 40.31 ATOM 1484 CD GLU 94 3.749 -37.734 13.336 1.00 32.23 ATOM 1485 OE1 GLU 94 4.468 -38.573 12.757 1.00 44.33 ATOM 1486 OE2 GLU 94 3.494 -36.616 12.842 1.00 15.44 ATOM 1487 C GLU 94 4.696 -37.649 18.289 1.00 21.03 ATOM 1488 O GLU 94 5.050 -36.474 18.409 1.00 13.04 ATOM 1489 N THR 95 5.176 -38.623 19.058 1.00 30.55 ATOM 1490 HN THR 95 4.881 -39.543 18.897 1.00 36.60 ATOM 1491 CA THR 95 6.125 -38.359 20.146 1.00 71.35 ATOM 1492 HA THR 95 6.111 -37.297 20.354 1.00 43.12 ATOM 1493 CB THR 95 5.713 -39.106 21.441 1.00 43.51 ATOM 1494 HB THR 95 6.464 -38.921 22.198 1.00 14.32 ATOM 1495 OG1 THR 95 5.643 -40.522 21.196 1.00 24.45 ATOM 1496 HG1 THR 95 6.537 -40.869 21.054 1.00 44.34 ATOM 1497 CG2 THR 95 4.367 -38.609 21.964 1.00 52.43 ATOM 1498 HG21 THR 95 4.430 -37.551 22.177 1.00 22.43 ATOM 1499 HG22 THR 95 4.111 -39.142 22.868 1.00 31.14 ATOM 1500 HG23 THR 95 3.606 -38.781 21.217 1.00 52.20 ATOM 1501 C THR 95 7.561 -38.772 19.789 1.00 5.21 ATOM 1502 O THR 95 7.818 -39.370 18.744 1.00 75.12 ATOM 1503 N PHE 96 8.483 -38.425 20.680 1.00 4.24 ATOM 1504 HN PHE 96 8.209 -37.869 21.435 1.00 36.60 ATOM 1505 CA PHE 96 9.896 -38.825 20.591 1.00 33.14 ATOM 1506 HA PHE 96 10.027 -39.446 19.712 1.00 33.21 ATOM 1507 CB PHE 96 10.789 -37.579 20.476 1.00 21.52 ATOM 1508 HB1 PHE 96 10.535 -37.044 19.571 1.00 36.60 ATOM 1509 HB2 PHE 96 11.824 -37.888 20.423 1.00 4.42 ATOM 1510 CG PHE 96 10.644 -36.625 21.639 1.00 30.51 ATOM 1511 CD1 PHE 96 9.610 -35.698 21.672 1.00 23.41 ATOM 1512 HD1 PHE 96 8.906 -35.661 20.852 1.00 24.34 ATOM 1513 CD2 PHE 96 11.537 -36.658 22.703 1.00 60.52 ATOM 1514 HD2 PHE 96 12.349 -37.374 22.693 1.00 50.00 ATOM 1515 CE1 PHE 96 9.472 -34.826 22.735 1.00 2.44 ATOM 1516 HE1 PHE 96 8.662 -34.111 22.747 1.00 73.31 ATOM 1517 CE2 PHE 96 11.402 -35.788 23.767 1.00 12.54 ATOM 1518 HE2 PHE 96 12.104 -35.825 24.588 1.00 15.51 ATOM 1519 CZ PHE 96 10.368 -34.872 23.784 1.00 70.32 ATOM 1520 HZ PHE 96 10.261 -34.192 24.617 1.00 13.33 ATOM 1521 C PHE 96 10.278 -39.633 21.842 1.00 54.04 ATOM 1522 O PHE 96 9.428 -39.888 22.699 1.00 23.11 ATOM 1523 N ASP 97 11.531 -40.060 21.948 1.00 34.21 ATOM 1524 HN ASP 97 12.162 -39.911 21.206 1.00 36.60 ATOM 1525 CA ASP 97 11.999 -40.733 23.165 1.00 65.02 ATOM 1526 HA ASP 97 11.127 -40.968 23.763 1.00 54.43 ATOM 1527 CB ASP 97 12.720 -42.041 22.830 1.00 2.42 ATOM 1528 HB1 ASP 97 13.323 -42.343 23.676 1.00 36.60 ATOM 1529 HB2 ASP 97 13.362 -41.885 21.975 1.00 75.32 ATOM 1530 CG ASP 97 11.749 -43.159 22.511 1.00 65.25 ATOM 1531 OD1 ASP 97 11.475 -43.400 21.319 1.00 43.44 ATOM 1532 OD2 ASP 97 11.254 -43.804 23.462 1.00 50.50 ATOM 1533 C ASP 97 12.912 -39.825 23.996 1.00 51.01 ATOM 1534 O ASP 97 13.673 -39.021 23.464 1.00 51.21 ATOM 1535 N ALA 98 12.829 -39.970 25.316 1.00 42.32 ATOM 1536 HN ALA 98 12.190 -40.615 25.680 1.00 36.60 ATOM 1537 CA ALA 98 13.659 -39.192 26.239 1.00 34.21 ATOM 1538 HA ALA 98 13.370 -38.153 26.157 1.00 0.40 ATOM 1539 CB ALA 98 13.396 -39.644 27.671 1.00 4.24 ATOM 1540 HB1 ALA 98 13.930 -39.003 28.358 1.00 40.12 ATOM 1541 HB2 ALA 98 13.734 -40.664 27.796 1.00 42.23 ATOM 1542 HB3 ALA 98 12.336 -39.591 27.878 1.00 14.52 ATOM 1543 C ALA 98 15.155 -39.323 25.908 1.00 62.23 ATOM 1544 O ALA 98 15.942 -38.407 26.147 1.00 51.31 ATOM 1545 N ASN 99 15.527 -40.466 25.339 1.00 32.12 ATOM 1546 HN ASN 99 14.840 -41.127 25.121 1.00 36.60 ATOM 1547 CA ASN 99 16.924 -40.777 25.039 1.00 61.41 ATOM 1548 HA ASN 99 17.492 -40.641 25.947 1.00 45.44 ATOM 1549 CB ASN 99 17.052 -42.239 24.595 1.00 24.11 ATOM 1550 HB1 ASN 99 18.102 -42.497 24.529 1.00 36.60 ATOM 1551 HB2 ASN 99 16.600 -42.353 23.620 1.00 15.54 ATOM 1552 CG ASN 99 16.371 -43.209 25.551 1.00 74.15 ATOM 1553 OD1 ASN 99 15.315 -42.920 26.110 1.00 42.52 ATOM 1554 ND2 ASN 99 16.975 -44.359 25.761 1.00 21.21 ATOM 1555 HD21 ASN 99 17.820 -44.528 25.296 1.00 2.31 ATOM 1556 HD22 ASN 99 16.560 -44.990 26.384 1.00 33.55 ATOM 1557 C ASN 99 17.506 -39.850 23.957 1.00 34.41 ATOM 1558 O ASN 99 18.557 -39.236 24.160 1.00 50.44 ATOM 1559 N ASP 100 16.824 -39.743 22.814 1.00 25.04 ATOM 1560 HN ASP 100 15.966 -40.209 22.720 1.00 36.60 ATOM 1561 CA ASP 100 17.327 -38.934 21.697 1.00 11.32 ATOM 1562 HA ASP 100 18.347 -39.252 21.520 1.00 33.52 ATOM 1563 CB ASP 100 16.521 -39.192 20.415 1.00 15.04 ATOM 1564 HB1 ASP 100 16.754 -40.183 20.051 1.00 36.60 ATOM 1565 HB2 ASP 100 16.811 -38.469 19.666 1.00 75.43 ATOM 1566 CG ASP 100 15.020 -39.096 20.614 1.00 33.53 ATOM 1567 OD1 ASP 100 14.381 -40.152 20.813 1.00 32.30 ATOM 1568 OD2 ASP 100 14.480 -37.977 20.561 1.00 12.22 ATOM 1569 C ASP 100 17.361 -37.435 22.037 1.00 23.11 ATOM 1570 O ASP 100 18.231 -36.709 21.551 1.00 23.00 ATOM 1571 N LEU 101 16.428 -36.975 22.870 1.00 22.55 ATOM 1572 HN LEU 101 15.696 -37.571 23.144 1.00 36.60 ATOM 1573 CA LEU 101 16.458 -35.592 23.366 1.00 73.54 ATOM 1574 HA LEU 101 16.587 -34.938 22.514 1.00 0.01 ATOM 1575 CB LEU 101 15.139 -35.238 24.073 1.00 33.21 ATOM 1576 HB1 LEU 101 14.928 -36.010 24.801 1.00 36.60 ATOM 1577 HB2 LEU 101 14.348 -35.242 23.335 1.00 33.14 ATOM 1578 CG LEU 101 15.121 -33.877 24.799 1.00 73.11 ATOM 1579 HG LEU 101 15.875 -33.885 25.575 1.00 34.31 ATOM 1580 CD1 LEU 101 15.453 -32.733 23.841 1.00 51.21 ATOM 1581 HD11 LEU 101 16.427 -32.899 23.404 1.00 4.21 ATOM 1582 HD12 LEU 101 15.459 -31.798 24.384 1.00 72.33 ATOM 1583 HD13 LEU 101 14.710 -32.688 23.058 1.00 64.51 ATOM 1584 CD2 LEU 101 13.769 -33.643 25.466 1.00 3.55 ATOM 1585 HD21 LEU 101 13.778 -32.690 25.975 1.00 23.53 ATOM 1586 HD22 LEU 101 13.578 -34.430 26.180 1.00 44.55 ATOM 1587 HD23 LEU 101 12.991 -33.642 24.715 1.00 35.05 ATOM 1588 C LEU 101 17.633 -35.381 24.333 1.00 24.22 ATOM 1589 O LEU 101 18.440 -34.464 24.161 1.00 34.31 ATOM 1590 N TYR 102 17.727 -36.249 25.336 1.00 11.43 ATOM 1591 HN TYR 102 17.070 -36.975 25.395 1.00 36.60 ATOM 1592 CA TYR 102 18.770 -36.156 26.360 1.00 4.10 ATOM 1593 HA TYR 102 18.640 -35.216 26.877 1.00 24.20 ATOM 1594 CB TYR 102 18.599 -37.299 27.367 1.00 42.34 ATOM 1595 HB1 TYR 102 18.746 -38.242 26.858 1.00 36.60 ATOM 1596 HB2 TYR 102 17.595 -37.267 27.763 1.00 64.52 ATOM 1597 CG TYR 102 19.560 -37.247 28.542 1.00 52.02 ATOM 1598 CD1 TYR 102 19.303 -36.432 29.639 1.00 0.24 ATOM 1599 HD1 TYR 102 18.405 -35.830 29.648 1.00 61.23 ATOM 1600 CD2 TYR 102 20.722 -38.012 28.553 1.00 23.45 ATOM 1601 HD2 TYR 102 20.939 -38.650 27.709 1.00 14.53 ATOM 1602 CE1 TYR 102 20.172 -36.384 30.712 1.00 42.53 ATOM 1603 HE1 TYR 102 19.953 -35.744 31.554 1.00 1.14 ATOM 1604 CE2 TYR 102 21.593 -37.970 29.623 1.00 12.22 ATOM 1605 HE2 TYR 102 22.487 -38.576 29.614 1.00 4.50 ATOM 1606 CZ TYR 102 21.316 -37.154 30.698 1.00 1.44 ATOM 1607 OH TYR 102 22.189 -37.108 31.762 1.00 11.33 ATOM 1608 HH TYR 102 23.095 -37.118 31.430 1.00 1.25 ATOM 1609 C TYR 102 20.178 -36.195 25.744 1.00 34.21 ATOM 1610 O TYR 102 21.022 -35.348 26.036 1.00 40.21 ATOM 1611 N GLN 103 20.414 -37.181 24.882 1.00 61.53 ATOM 1612 HN GLN 103 19.694 -37.817 24.682 1.00 36.60 ATOM 1613 CA GLN 103 21.718 -37.349 24.229 1.00 73.31 ATOM 1614 HA GLN 103 22.485 -37.123 24.957 1.00 44.43 ATOM 1615 CB GLN 103 21.888 -38.804 23.763 1.00 22.14 ATOM 1616 HB1 GLN 103 22.852 -38.904 23.285 1.00 36.60 ATOM 1617 HB2 GLN 103 21.117 -39.026 23.040 1.00 15.21 ATOM 1618 CG GLN 103 21.801 -39.840 24.882 1.00 54.45 ATOM 1619 HG1 GLN 103 21.817 -40.827 24.440 1.00 36.60 ATOM 1620 HG2 GLN 103 20.866 -39.703 25.407 1.00 21.42 ATOM 1621 CD GLN 103 22.940 -39.743 25.888 1.00 52.21 ATOM 1622 OE1 GLN 103 24.047 -39.331 25.560 1.00 24.34 ATOM 1623 NE2 GLN 103 22.684 -40.137 27.118 1.00 13.12 ATOM 1624 HE21 GLN 103 21.786 -40.467 27.324 1.00 71.42 ATOM 1625 HE22 GLN 103 23.409 -40.093 27.775 1.00 24.14 ATOM 1626 C GLN 103 21.885 -36.400 23.026 1.00 10.24 ATOM 1627 O GLN 103 22.970 -36.301 22.453 1.00 52.22 ATOM 1628 N GLY 104 20.804 -35.716 22.641 1.00 45.30 ATOM 1629 HN GLY 104 19.967 -35.826 23.140 1.00 36.60 ATOM 1630 CA GLY 104 20.849 -34.806 21.496 1.00 74.53 ATOM 1631 HA1 GLY 104 21.664 -34.111 21.636 1.00 36.60 ATOM 1632 HA2 GLY 104 19.923 -34.251 21.462 1.00 53.35 ATOM 1633 C GLY 104 21.038 -35.527 20.160 1.00 30.11 ATOM 1634 O GLY 104 21.651 -34.987 19.234 1.00 54.03 ATOM 1635 N GLN 105 20.500 -36.743 20.058 1.00 31.14 ATOM 1636 HN GLN 105 19.981 -37.092 20.813 1.00 36.60 ATOM 1637 CA GLN 105 20.658 -37.571 18.856 1.00 72.24 ATOM 1638 HA GLN 105 21.646 -37.383 18.458 1.00 41.04 ATOM 1639 CB GLN 105 20.556 -39.059 19.226 1.00 50.21 ATOM 1640 HB1 GLN 105 20.666 -39.652 18.329 1.00 36.60 ATOM 1641 HB2 GLN 105 19.580 -39.247 19.653 1.00 42.23 ATOM 1642 CG GLN 105 21.612 -39.512 20.231 1.00 60.24 ATOM 1643 HG1 GLN 105 21.471 -40.565 20.434 1.00 36.60 ATOM 1644 HG2 GLN 105 21.479 -38.952 21.147 1.00 22.41 ATOM 1645 CD GLN 105 23.034 -39.291 19.732 1.00 13.02 ATOM 1646 OE1 GLN 105 23.630 -38.242 19.956 1.00 34.20 ATOM 1647 NE2 GLN 105 23.587 -40.268 19.048 1.00 45.44 ATOM 1648 HE21 GLN 105 23.065 -41.083 18.895 1.00 74.34 ATOM 1649 HE22 GLN 105 24.501 -40.139 18.720 1.00 22.45 ATOM 1650 C GLN 105 19.625 -37.224 17.772 1.00 64.14 ATOM 1651 O GLN 105 19.966 -37.126 16.592 1.00 72.21 ATOM 1652 N ASN 106 18.365 -37.037 18.170 1.00 5.44 ATOM 1653 HN ASN 106 18.150 -37.114 19.123 1.00 36.60 ATOM 1654 CA ASN 106 17.294 -36.705 17.215 1.00 41.23 ATOM 1655 HA ASN 106 17.759 -36.444 16.273 1.00 11.05 ATOM 1656 CB ASN 106 16.368 -37.908 16.987 1.00 24.24 ATOM 1657 HB1 ASN 106 15.566 -37.614 16.322 1.00 36.60 ATOM 1658 HB2 ASN 106 15.944 -38.214 17.934 1.00 75.22 ATOM 1659 CG ASN 106 17.080 -39.098 16.379 1.00 15.03 ATOM 1660 OD1 ASN 106 17.186 -39.216 15.167 1.00 42.23 ATOM 1661 ND2 ASN 106 17.539 -40.004 17.211 1.00 63.21 ATOM 1662 HD21 ASN 106 17.394 -39.869 18.166 1.00 52.32 ATOM 1663 HD22 ASN 106 18.018 -40.775 16.839 1.00 13.04 ATOM 1664 C ASN 106 16.464 -35.504 17.689 1.00 3.25 ATOM 1665 O ASN 106 15.278 -35.639 17.994 1.00 71.54 ATOM 1666 N PHE 107 17.081 -34.324 17.737 1.00 12.31 ATOM 1667 HN PHE 107 18.033 -34.268 17.500 1.00 36.60 ATOM 1668 CA PHE 107 16.362 -33.107 18.134 1.00 34.12 ATOM 1669 HA PHE 107 15.927 -33.290 19.107 1.00 1.15 ATOM 1670 CB PHE 107 17.320 -31.910 18.237 1.00 64.40 ATOM 1671 HB1 PHE 107 17.757 -31.719 17.268 1.00 36.60 ATOM 1672 HB2 PHE 107 18.108 -32.147 18.940 1.00 54.02 ATOM 1673 CG PHE 107 16.640 -30.643 18.705 1.00 31.21 ATOM 1674 CD1 PHE 107 16.361 -30.446 20.051 1.00 14.11 ATOM 1675 HD1 PHE 107 16.645 -31.203 20.769 1.00 43.02 ATOM 1676 CD2 PHE 107 16.266 -29.659 17.799 1.00 42.31 ATOM 1677 HD2 PHE 107 16.476 -29.799 16.748 1.00 45.32 ATOM 1678 CE1 PHE 107 15.727 -29.296 20.480 1.00 32.32 ATOM 1679 HE1 PHE 107 15.515 -29.154 21.532 1.00 2.21 ATOM 1680 CE2 PHE 107 15.634 -28.508 18.225 1.00 24.34 ATOM 1681 HE2 PHE 107 15.352 -27.751 17.508 1.00 31.31 ATOM 1682 CZ PHE 107 15.363 -28.326 19.566 1.00 74.42 ATOM 1683 HZ PHE 107 14.867 -27.426 19.900 1.00 15.02 ATOM 1684 C PHE 107 15.225 -32.797 17.145 1.00 41.34 ATOM 1685 O PHE 107 14.224 -32.177 17.504 1.00 13.44 ATOM 1686 N ASN 108 15.388 -33.243 15.900 1.00 10.54 ATOM 1687 HN ASN 108 16.235 -33.679 15.662 1.00 36.60 ATOM 1688 CA ASN 108 14.352 -33.094 14.873 1.00 34.11 ATOM 1689 HA ASN 108 14.180 -32.036 14.732 1.00 73.13 ATOM 1690 CB ASN 108 14.852 -33.692 13.554 1.00 2.42 ATOM 1691 HB1 ASN 108 15.716 -33.135 13.218 1.00 36.60 ATOM 1692 HB2 ASN 108 14.072 -33.615 12.810 1.00 1.03 ATOM 1693 CG ASN 108 15.244 -35.150 13.698 1.00 31.12 ATOM 1694 OD1 ASN 108 16.351 -35.473 14.112 1.00 4.25 ATOM 1695 ND2 ASN 108 14.347 -36.043 13.346 1.00 63.33 ATOM 1696 HD21 ASN 108 13.482 -35.727 13.014 1.00 1.44 ATOM 1697 HD22 ASN 108 14.589 -36.989 13.412 1.00 43.41 ATOM 1698 C ASN 108 13.027 -33.751 15.311 1.00 5.43 ATOM 1699 O ASN 108 11.946 -33.214 15.063 1.00 43.41 ATOM 1700 N LYS 109 13.121 -34.908 15.976 1.00 73.52 ATOM 1701 HN LYS 109 14.002 -35.322 16.090 1.00 36.60 ATOM 1702 CA LYS 109 11.943 -35.572 16.553 1.00 32.44 ATOM 1703 HA LYS 109 11.242 -35.770 15.753 1.00 71.02 ATOM 1704 CB LYS 109 12.337 -36.898 17.207 1.00 65.15 ATOM 1705 HB1 LYS 109 11.518 -37.236 17.828 1.00 36.60 ATOM 1706 HB2 LYS 109 13.203 -36.732 17.832 1.00 4.44 ATOM 1707 CG LYS 109 12.672 -38.010 16.225 1.00 1.34 ATOM 1708 HG1 LYS 109 13.522 -37.711 15.627 1.00 36.60 ATOM 1709 HG2 LYS 109 11.819 -38.183 15.584 1.00 63.51 ATOM 1710 CD LYS 109 13.011 -39.297 16.965 1.00 34.22 ATOM 1711 HD1 LYS 109 12.242 -39.489 17.701 1.00 36.60 ATOM 1712 HD2 LYS 109 13.962 -39.175 17.463 1.00 62.11 ATOM 1713 CE LYS 109 13.100 -40.488 16.028 1.00 45.45 ATOM 1714 HE1 LYS 109 12.141 -40.625 15.552 1.00 36.60 ATOM 1715 HE2 LYS 109 13.335 -41.360 16.613 1.00 24.31 ATOM 1716 NZ LYS 109 14.145 -40.316 14.981 1.00 43.10 ATOM 1717 HZ1 LYS 109 13.946 -39.470 14.412 1.00 73.55 ATOM 1718 HZ2 LYS 109 14.160 -41.145 14.351 1.00 62.54 ATOM 1719 HZ3 LYS 109 15.080 -40.217 15.418 1.00 43.34 ATOM 1720 C LYS 109 11.274 -34.677 17.604 1.00 52.22 ATOM 1721 O LYS 109 10.077 -34.387 17.529 1.00 31.11 ATOM 1722 N VAL 110 12.071 -34.244 18.580 1.00 5.51 ATOM 1723 HN VAL 110 13.013 -34.522 18.578 1.00 36.60 ATOM 1724 CA VAL 110 11.593 -33.376 19.663 1.00 63.10 ATOM 1725 HA VAL 110 10.883 -33.937 20.254 1.00 32.04 ATOM 1726 CB VAL 110 12.764 -32.947 20.583 1.00 10.20 ATOM 1727 HB VAL 110 13.409 -32.286 20.019 1.00 35.53 ATOM 1728 CG1 VAL 110 12.256 -32.176 21.804 1.00 22.51 ATOM 1729 HG11 VAL 110 11.554 -32.789 22.354 1.00 35.20 ATOM 1730 HG12 VAL 110 11.763 -31.269 21.481 1.00 73.14 ATOM 1731 HG13 VAL 110 13.089 -31.923 22.444 1.00 63.40 ATOM 1732 CG2 VAL 110 13.591 -34.164 20.998 1.00 12.55 ATOM 1733 HG21 VAL 110 12.970 -34.850 21.558 1.00 55.51 ATOM 1734 HG22 VAL 110 14.421 -33.845 21.613 1.00 52.22 ATOM 1735 HG23 VAL 110 13.969 -34.661 20.116 1.00 54.45 ATOM 1736 C VAL 110 10.908 -32.121 19.112 1.00 72.03 ATOM 1737 O VAL 110 9.773 -31.806 19.472 1.00 75.53 ATOM 1738 N LEU 111 11.605 -31.421 18.222 1.00 21.21 ATOM 1739 HN LEU 111 12.494 -31.739 17.964 1.00 36.60 ATOM 1740 CA LEU 111 11.091 -30.186 17.626 1.00 71.41 ATOM 1741 HA LEU 111 10.917 -29.485 18.431 1.00 13.23 ATOM 1742 CB LEU 111 12.138 -29.593 16.673 1.00 2.42 ATOM 1743 HB1 LEU 111 12.262 -30.274 15.842 1.00 36.60 ATOM 1744 HB2 LEU 111 13.079 -29.528 17.202 1.00 74.12 ATOM 1745 CG LEU 111 11.802 -28.203 16.106 1.00 3.12 ATOM 1746 HG LEU 111 10.875 -28.262 15.553 1.00 34.21 ATOM 1747 CD1 LEU 111 11.607 -27.189 17.232 1.00 20.14 ATOM 1748 HD11 LEU 111 11.307 -26.240 16.812 1.00 12.31 ATOM 1749 HD12 LEU 111 12.535 -27.064 17.772 1.00 5.31 ATOM 1750 HD13 LEU 111 10.842 -27.541 17.908 1.00 33.42 ATOM 1751 CD2 LEU 111 12.893 -27.739 15.144 1.00 12.30 ATOM 1752 HD21 LEU 111 13.010 -28.467 14.353 1.00 54.14 ATOM 1753 HD22 LEU 111 13.827 -27.634 15.677 1.00 63.43 ATOM 1754 HD23 LEU 111 12.614 -26.787 14.716 1.00 60.01 ATOM 1755 C LEU 111 9.764 -30.421 16.883 1.00 34.04 ATOM 1756 O LEU 111 8.794 -29.693 17.093 1.00 11.12 ATOM 1757 N SER 112 9.720 -31.445 16.026 1.00 44.01 ATOM 1758 HN SER 112 10.522 -31.999 15.900 1.00 36.60 ATOM 1759 CA SER 112 8.497 -31.767 15.267 1.00 41.24 ATOM 1760 HA SER 112 8.225 -30.888 14.698 1.00 12.12 ATOM 1761 CB SER 112 8.742 -32.929 14.294 1.00 63.33 ATOM 1762 HB1 SER 112 9.010 -33.815 14.851 1.00 36.60 ATOM 1763 HB2 SER 112 9.548 -32.669 13.622 1.00 61.04 ATOM 1764 OG SER 112 7.578 -33.206 13.527 1.00 45.21 ATOM 1765 HG SER 112 7.629 -34.110 13.178 1.00 63.32 ATOM 1766 C SER 112 7.334 -32.119 16.206 1.00 30.21 ATOM 1767 O SER 112 6.179 -31.772 15.945 1.00 65.44 ATOM 1768 N SER 113 7.648 -32.807 17.303 1.00 34.22 ATOM 1769 HN SER 113 8.579 -33.091 17.436 1.00 36.60 ATOM 1770 CA SER 113 6.643 -33.155 18.317 1.00 73.22 ATOM 1771 HA SER 113 5.829 -33.658 17.813 1.00 51.53 ATOM 1772 CB SER 113 7.241 -34.103 19.369 1.00 21.24 ATOM 1773 HB1 SER 113 8.007 -33.580 19.926 1.00 36.60 ATOM 1774 HB2 SER 113 7.680 -34.956 18.874 1.00 52.12 ATOM 1775 OG SER 113 6.253 -34.566 20.278 1.00 61.11 ATOM 1776 HG SER 113 5.596 -35.087 19.799 1.00 41.44 ATOM 1777 C SER 113 6.098 -31.891 19.000 1.00 73.24 ATOM 1778 O SER 113 4.894 -31.762 19.225 1.00 61.10 ATOM 1779 N LEU 114 6.995 -30.950 19.310 1.00 4.21 ATOM 1780 HN LEU 114 7.946 -31.131 19.152 1.00 36.60 ATOM 1781 CA LEU 114 6.603 -29.656 19.886 1.00 75.15 ATOM 1782 HA LEU 114 6.037 -29.854 20.786 1.00 21.32 ATOM 1783 CB LEU 114 7.847 -28.831 20.250 1.00 2.05 ATOM 1784 HB1 LEU 114 7.521 -27.871 20.625 1.00 36.60 ATOM 1785 HB2 LEU 114 8.418 -28.667 19.346 1.00 25.50 ATOM 1786 CG LEU 114 8.778 -29.464 21.299 1.00 61.20 ATOM 1787 HG LEU 114 9.130 -30.415 20.925 1.00 53.24 ATOM 1788 CD1 LEU 114 9.999 -28.582 21.541 1.00 24.10 ATOM 1789 HD11 LEU 114 10.639 -29.047 22.278 1.00 1.12 ATOM 1790 HD12 LEU 114 9.682 -27.614 21.901 1.00 50.14 ATOM 1791 HD13 LEU 114 10.545 -28.460 20.616 1.00 24.32 ATOM 1792 CD2 LEU 114 8.031 -29.723 22.608 1.00 61.21 ATOM 1793 HD21 LEU 114 7.635 -28.792 22.992 1.00 14.32 ATOM 1794 HD22 LEU 114 8.709 -30.149 23.334 1.00 72.05 ATOM 1795 HD23 LEU 114 7.219 -30.412 22.431 1.00 63.45 ATOM 1796 C LEU 114 5.718 -28.861 18.912 1.00 52.30 ATOM 1797 O LEU 114 4.709 -28.273 19.307 1.00 44.52 ATOM 1798 N VAL 115 6.103 -28.850 17.635 1.00 5.02 ATOM 1799 HN VAL 115 6.942 -29.295 17.389 1.00 36.60 ATOM 1800 CA VAL 115 5.313 -28.185 16.593 1.00 21.24 ATOM 1801 HA VAL 115 5.227 -27.141 16.864 1.00 11.22 ATOM 1802 CB VAL 115 6.011 -28.270 15.208 1.00 53.04 ATOM 1803 HB VAL 115 6.157 -29.315 14.966 1.00 43.23 ATOM 1804 CG1 VAL 115 5.145 -27.646 14.113 1.00 51.40 ATOM 1805 HG11 VAL 115 5.667 -27.692 13.168 1.00 72.31 ATOM 1806 HG12 VAL 115 4.937 -26.615 14.358 1.00 22.33 ATOM 1807 HG13 VAL 115 4.214 -28.190 14.034 1.00 74.32 ATOM 1808 CG2 VAL 115 7.384 -27.600 15.261 1.00 33.41 ATOM 1809 HG21 VAL 115 7.999 -28.095 15.998 1.00 33.12 ATOM 1810 HG22 VAL 115 7.271 -26.559 15.530 1.00 21.34 ATOM 1811 HG23 VAL 115 7.859 -27.670 14.293 1.00 25.40 ATOM 1812 C VAL 115 3.902 -28.788 16.502 1.00 45.52 ATOM 1813 O VAL 115 2.907 -28.062 16.494 1.00 14.23 ATOM 1814 N THR 116 3.821 -30.121 16.454 1.00 33.04 ATOM 1815 HN THR 116 4.649 -30.649 16.418 1.00 36.60 ATOM 1816 CA THR 116 2.522 -30.813 16.456 1.00 74.23 ATOM 1817 HA THR 116 1.970 -30.476 15.588 1.00 75.31 ATOM 1818 CB THR 116 2.676 -32.356 16.369 1.00 5.52 ATOM 1819 HB THR 116 3.256 -32.693 17.217 1.00 11.41 ATOM 1820 OG1 THR 116 3.364 -32.723 15.160 1.00 25.32 ATOM 1821 HG1 THR 116 4.277 -32.405 15.197 1.00 64.52 ATOM 1822 CG2 THR 116 1.313 -33.047 16.407 1.00 34.42 ATOM 1823 HG21 THR 116 0.808 -32.805 17.334 1.00 73.42 ATOM 1824 HG22 THR 116 1.448 -34.117 16.343 1.00 32.25 ATOM 1825 HG23 THR 116 0.713 -32.710 15.572 1.00 20.44 ATOM 1826 C THR 116 1.722 -30.466 17.718 1.00 31.24 ATOM 1827 O THR 116 0.524 -30.197 17.651 1.00 54.32 ATOM 1828 N LEU 117 2.402 -30.467 18.867 1.00 71.21 ATOM 1829 HN LEU 117 3.347 -30.727 18.857 1.00 36.60 ATOM 1830 CA LEU 117 1.783 -30.094 20.146 1.00 73.51 ATOM 1831 HA LEU 117 1.012 -30.821 20.363 1.00 25.42 ATOM 1832 CB LEU 117 2.833 -30.130 21.269 1.00 72.24 ATOM 1833 HB1 LEU 117 3.632 -29.452 21.003 1.00 36.60 ATOM 1834 HB2 LEU 117 3.241 -31.131 21.317 1.00 13.33 ATOM 1835 CG LEU 117 2.329 -29.747 22.672 1.00 64.40 ATOM 1836 HG LEU 117 1.879 -28.764 22.627 1.00 55.43 ATOM 1837 CD1 LEU 117 1.262 -30.723 23.157 1.00 31.43 ATOM 1838 HD11 LEU 117 1.677 -31.720 23.202 1.00 41.55 ATOM 1839 HD12 LEU 117 0.425 -30.713 22.475 1.00 20.54 ATOM 1840 HD13 LEU 117 0.926 -30.429 24.141 1.00 54.52 ATOM 1841 CD2 LEU 117 3.490 -29.685 23.660 1.00 61.11 ATOM 1842 HD21 LEU 117 4.211 -28.956 23.322 1.00 15.14 ATOM 1843 HD22 LEU 117 3.963 -30.655 23.726 1.00 15.44 ATOM 1844 HD23 LEU 117 3.121 -29.398 24.634 1.00 55.53 ATOM 1845 C LEU 117 1.140 -28.698 20.070 1.00 1.33 ATOM 1846 O LEU 117 0.012 -28.494 20.522 1.00 73.41 ATOM 1847 N ASN 118 1.865 -27.743 19.491 1.00 0.45 ATOM 1848 HN ASN 118 2.777 -27.954 19.191 1.00 36.60 ATOM 1849 CA ASN 118 1.348 -26.387 19.291 1.00 65.54 ATOM 1850 HA ASN 118 1.057 -25.999 20.257 1.00 65.33 ATOM 1851 CB ASN 118 2.448 -25.490 18.703 1.00 71.42 ATOM 1852 HB1 ASN 118 2.755 -25.891 17.747 1.00 36.60 ATOM 1853 HB2 ASN 118 3.296 -25.490 19.374 1.00 32.21 ATOM 1854 CG ASN 118 1.999 -24.052 18.500 1.00 2.10 ATOM 1855 OD1 ASN 118 1.503 -23.680 17.442 1.00 1.31 ATOM 1856 ND2 ASN 118 2.171 -23.228 19.513 1.00 41.12 ATOM 1857 HD21 ASN 118 2.574 -23.578 20.331 1.00 10.32 ATOM 1858 HD22 ASN 118 1.889 -22.301 19.398 1.00 4.14 ATOM 1859 C ASN 118 0.118 -26.391 18.365 1.00 41.03 ATOM 1860 O ASN 118 -0.901 -25.778 18.668 1.00 75.03 ATOM 1861 N LYS 119 0.223 -27.105 17.248 1.00 75.42 ATOM 1862 HN LYS 119 1.042 -27.624 17.096 1.00 36.60 ATOM 1863 CA LYS 119 -0.841 -27.147 16.234 1.00 32.21 ATOM 1864 HA LYS 119 -1.048 -26.128 15.938 1.00 71.44 ATOM 1865 CB LYS 119 -0.347 -27.922 15.004 1.00 5.43 ATOM 1866 HB1 LYS 119 -1.161 -28.016 14.299 1.00 36.60 ATOM 1867 HB2 LYS 119 -0.038 -28.910 15.317 1.00 45.32 ATOM 1868 CG LYS 119 0.830 -27.252 14.293 1.00 15.50 ATOM 1869 HG1 LYS 119 1.587 -27.007 15.025 1.00 36.60 ATOM 1870 HG2 LYS 119 0.482 -26.345 13.821 1.00 12.21 ATOM 1871 CD LYS 119 1.449 -28.152 13.227 1.00 73.10 ATOM 1872 HD1 LYS 119 1.849 -29.037 13.703 1.00 36.60 ATOM 1873 HD2 LYS 119 2.251 -27.615 12.741 1.00 20.13 ATOM 1874 CE LYS 119 0.436 -28.574 12.172 1.00 54.54 ATOM 1875 HE1 LYS 119 -0.027 -27.691 11.756 1.00 36.60 ATOM 1876 HE2 LYS 119 -0.319 -29.190 12.640 1.00 61.14 ATOM 1877 NZ LYS 119 1.074 -29.347 11.076 1.00 73.35 ATOM 1878 HZ1 LYS 119 1.833 -28.787 10.637 1.00 34.55 ATOM 1879 HZ2 LYS 119 0.372 -29.587 10.348 1.00 75.12 ATOM 1880 HZ3 LYS 119 1.483 -30.230 11.448 1.00 62.31 ATOM 1881 C LYS 119 -2.143 -27.774 16.769 1.00 51.10 ATOM 1882 O LYS 119 -3.236 -27.238 16.550 1.00 62.31 ATOM 1883 N VAL 120 -2.029 -28.904 17.468 1.00 22.43 ATOM 1884 HN VAL 120 -1.135 -29.273 17.640 1.00 36.60 ATOM 1885 CA VAL 120 -3.211 -29.611 17.984 1.00 24.55 ATOM 1886 HA VAL 120 -3.915 -29.693 17.165 1.00 11.53 ATOM 1887 CB VAL 120 -2.867 -31.051 18.456 1.00 72.20 ATOM 1888 HB VAL 120 -3.779 -31.515 18.813 1.00 71.40 ATOM 1889 CG1 VAL 120 -2.339 -31.887 17.292 1.00 44.00 ATOM 1890 HG11 VAL 120 -1.424 -31.449 16.918 1.00 52.10 ATOM 1891 HG12 VAL 120 -3.074 -31.910 16.501 1.00 11.23 ATOM 1892 HG13 VAL 120 -2.143 -32.895 17.629 1.00 44.33 ATOM 1893 CG2 VAL 120 -1.862 -31.032 19.604 1.00 40.44 ATOM 1894 HG21 VAL 120 -2.264 -30.459 20.428 1.00 45.31 ATOM 1895 HG22 VAL 120 -0.939 -30.581 19.269 1.00 50.40 ATOM 1896 HG23 VAL 120 -1.668 -32.044 19.933 1.00 71.34 ATOM 1897 C VAL 120 -3.896 -28.839 19.127 1.00 54.13 ATOM 1898 O VAL 120 -5.123 -28.780 19.198 1.00 22.22 ATOM 1899 N THR 121 -3.105 -28.232 20.012 1.00 54.43 ATOM 1900 HN THR 121 -2.130 -28.307 19.919 1.00 36.60 ATOM 1901 CA THR 121 -3.663 -27.449 21.124 1.00 44.21 ATOM 1902 HA THR 121 -4.483 -28.017 21.546 1.00 20.44 ATOM 1903 CB THR 121 -2.625 -27.206 22.241 1.00 13.45 ATOM 1904 HB THR 121 -3.080 -26.593 23.006 1.00 3.30 ATOM 1905 OG1 THR 121 -1.482 -26.514 21.714 1.00 4.03 ATOM 1906 HG1 THR 121 -0.742 -27.126 21.637 1.00 24.13 ATOM 1907 CG2 THR 121 -2.188 -28.526 22.876 1.00 50.44 ATOM 1908 HG21 THR 121 -3.051 -29.035 23.283 1.00 11.05 ATOM 1909 HG22 THR 121 -1.483 -28.329 23.670 1.00 10.45 ATOM 1910 HG23 THR 121 -1.721 -29.151 22.129 1.00 15.00 ATOM 1911 C THR 121 -4.208 -26.101 20.635 1.00 31.23 ATOM 1912 O THR 121 -5.245 -25.632 21.107 1.00 61.51 ATOM 1913 N ALA 122 -3.506 -25.482 19.684 1.00 54.12 ATOM 1914 HN ALA 122 -2.638 -25.852 19.417 1.00 36.60 ATOM 1915 CA ALA 122 -3.985 -24.248 19.045 1.00 15.31 ATOM 1916 HA ALA 122 -4.118 -23.505 19.818 1.00 64.32 ATOM 1917 CB ALA 122 -2.957 -23.717 18.049 1.00 3.51 ATOM 1918 HB1 ALA 122 -2.008 -23.580 18.549 1.00 52.33 ATOM 1919 HB2 ALA 122 -3.294 -22.769 17.653 1.00 40.21 ATOM 1920 HB3 ALA 122 -2.838 -24.423 17.239 1.00 31.11 ATOM 1921 C ALA 122 -5.328 -24.477 18.347 1.00 60.31 ATOM 1922 O ALA 122 -6.195 -23.603 18.343 1.00 34.21 ATOM 1923 N ASP 123 -5.493 -25.669 17.770 1.00 55.31 ATOM 1924 HN ASP 123 -4.746 -26.307 17.780 1.00 36.60 ATOM 1925 CA ASP 123 -6.746 -26.054 17.117 1.00 63.24 ATOM 1926 HA ASP 123 -6.927 -25.356 16.312 1.00 31.41 ATOM 1927 CB ASP 123 -6.618 -27.468 16.534 1.00 41.12 ATOM 1928 HB1 ASP 123 -6.587 -28.185 17.345 1.00 36.60 ATOM 1929 HB2 ASP 123 -5.698 -27.535 15.971 1.00 11.22 ATOM 1930 CG ASP 123 -7.771 -27.828 15.613 1.00 51.25 ATOM 1931 OD1 ASP 123 -8.768 -28.413 16.086 1.00 24.12 ATOM 1932 OD2 ASP 123 -7.681 -27.528 14.404 1.00 5.41 ATOM 1933 C ASP 123 -7.924 -25.988 18.104 1.00 52.11 ATOM 1934 O ASP 123 -9.034 -25.596 17.739 1.00 40.23 ATOM 1935 N ILE 124 -7.666 -26.367 19.355 1.00 12.33 ATOM 1936 HN ILE 124 -6.767 -26.695 19.574 1.00 36.60 ATOM 1937 CA ILE 124 -8.683 -26.316 20.412 1.00 14.31 ATOM 1938 HA ILE 124 -9.531 -26.901 20.081 1.00 51.13 ATOM 1939 CB ILE 124 -8.151 -26.938 21.732 1.00 22.42 ATOM 1940 HB ILE 124 -7.307 -26.348 22.064 1.00 53.44 ATOM 1941 CG1 ILE 124 -7.681 -28.383 21.490 1.00 33.45 ATOM 1942 HG11 ILE 124 -6.932 -28.384 20.710 1.00 36.60 ATOM 1943 HG12 ILE 124 -8.522 -28.983 21.174 1.00 51.30 ATOM 1944 CG2 ILE 124 -9.217 -26.893 22.830 1.00 35.14 ATOM 1945 HG21 ILE 124 -8.826 -27.345 23.732 1.00 63.13 ATOM 1946 HG22 ILE 124 -10.094 -27.436 22.507 1.00 63.43 ATOM 1947 HG23 ILE 124 -9.484 -25.866 23.031 1.00 54.30 ATOM 1948 CD1 ILE 124 -7.076 -29.042 22.713 1.00 34.03 ATOM 1949 HD11 ILE 124 -7.811 -29.081 23.504 1.00 73.42 ATOM 1950 HD12 ILE 124 -6.220 -28.471 23.044 1.00 52.15 ATOM 1951 HD13 ILE 124 -6.763 -30.043 22.462 1.00 1.12 ATOM 1952 C ILE 124 -9.149 -24.871 20.673 1.00 40.00 ATOM 1953 O ILE 124 -10.323 -24.630 20.970 1.00 45.34 ATOM 1954 N GLY 125 -8.226 -23.913 20.561 1.00 64.13 ATOM 1955 HN GLY 125 -7.304 -24.161 20.338 1.00 36.60 ATOM 1956 CA GLY 125 -8.577 -22.504 20.744 1.00 72.32 ATOM 1957 HA1 GLY 125 -9.524 -22.445 21.262 1.00 36.60 ATOM 1958 HA2 GLY 125 -8.691 -22.049 19.771 1.00 12.33 ATOM 1959 C GLY 125 -7.540 -21.705 21.532 1.00 71.51 ATOM 1960 O GLY 125 -7.769 -21.348 22.690 1.00 73.01 ATOM 1961 N LEU 126 -6.399 -21.412 20.906 1.00 10.24 ATOM 1962 HN LEU 126 -6.255 -21.749 19.996 1.00 36.60 ATOM 1963 HA LEU 126 -5.631 -20.449 22.577 1.00 13.40 ATOM 1964 CB LEU 126 -3.992 -21.316 21.499 1.00 71.32 ATOM 1965 HB1 LEU 126 -3.228 -20.624 21.831 1.00 36.60 ATOM 1966 HB2 LEU 126 -3.785 -21.583 20.472 1.00 52.31 ATOM 1967 CG LEU 126 -3.888 -22.592 22.357 1.00 11.33 ATOM 1968 HG LEU 126 -4.592 -23.323 21.983 1.00 73.41 ATOM 1969 CD1 LEU 126 -2.491 -23.198 22.255 1.00 3.44 ATOM 1970 HD11 LEU 126 -2.441 -24.092 22.860 1.00 21.32 ATOM 1971 HD12 LEU 126 -1.758 -22.485 22.607 1.00 23.23 ATOM 1972 HD13 LEU 126 -2.281 -23.451 21.226 1.00 4.30 ATOM 1973 CD2 LEU 126 -4.243 -22.300 23.813 1.00 71.22 ATOM 1974 HD21 LEU 126 -3.577 -21.544 24.204 1.00 55.14 ATOM 1975 HD22 LEU 126 -4.142 -23.204 24.397 1.00 31.30 ATOM 1976 HD23 LEU 126 -5.262 -21.949 23.873 1.00 4.22 ATOM 1977 CA LEU 126 -5.351 -20.591 21.540 1.00 41.14 ATOM 1978 C LEU 126 -5.233 -19.203 20.875 1.00 12.31 ATOM 1979 OT1 LEU 126 -4.548 -19.089 19.832 1.00 36.60 ATOM 1980 OT2 LEU 126 -5.810 -18.227 21.411 1.00 36.60 ATOM 1981 OH2 TIP3 1 -4.972 -45.613 15.377 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -4.639 -46.511 15.577 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -5.845 -45.578 15.835 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -2.122 -45.465 15.272 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -1.710 -44.775 14.719 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.082 -45.332 15.148 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -1.992 -52.511 15.056 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -1.608 -53.140 14.441 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -2.049 -51.673 14.541 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -0.965 -39.869 16.533 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -1.214 -39.301 17.289 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -1.788 -40.352 16.320 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -8.109 -42.911 16.179 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -8.614 -42.711 15.383 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -8.439 -42.259 16.842 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -0.337 -43.482 14.271 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 0.496 -43.996 14.202 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -0.190 -42.724 13.683 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.355 -42.845 15.798 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -6.310 -42.826 16.004 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.185 -43.771 15.538 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -9.093 -41.143 17.971 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -9.803 -41.437 18.556 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -9.125 -40.156 18.031 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -7.153 -45.369 16.932 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.674 -45.710 17.697 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.597 -44.527 16.697 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -10.197 -47.826 19.858 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.878 -48.763 19.859 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.826 -47.795 19.131 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -7.515 -52.161 20.107 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -6.921 -51.966 20.867 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -7.307 -53.069 19.875 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -9.564 -50.428 19.641 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -10.224 -51.097 19.452 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.742 -50.943 19.810 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -0.080 -40.792 10.196 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -1.047 -40.654 10.135 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 0.295 -40.120 9.577 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -0.109 -37.519 11.969 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -0.249 -38.181 12.677 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -0.967 -37.077 11.887 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -3.871 -47.783 16.698 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -3.056 -48.010 16.211 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -3.828 -48.343 17.501 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -2.849 -51.343 17.378 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -2.404 -51.759 16.604 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -3.722 -51.748 17.389 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -1.435 -42.988 16.806 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -2.147 -42.370 16.543 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -0.960 -43.173 15.968 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.404 -45.767 23.349 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.616 -44.822 23.163 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -5.903 -46.265 22.670 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -3.809 -47.507 24.745 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -4.255 -46.850 24.166 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -3.018 -47.024 25.092 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.722 -34.509 25.172 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -6.971 -34.739 25.764 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.487 -34.406 25.781 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.394 -43.210 23.234 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.436 -42.245 23.200 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -7.332 -43.490 23.323 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -4.993 -42.497 30.412 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -4.093 -42.189 30.654 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.260 -41.909 29.681 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -4.239 -45.086 31.173 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.305 -45.646 30.386 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -4.636 -44.237 30.897 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.909 -44.287 23.301 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -9.807 -44.033 23.603 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.022 -45.213 22.975 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -9.318 -46.738 22.245 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.411 -47.103 22.160 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -9.798 -47.115 21.480 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.739 -47.272 20.109 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -4.025 -46.697 20.406 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.277 -48.035 19.697 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.042 -40.705 28.430 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.883 -41.101 28.173 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -5.660 -40.392 27.588 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -6.773 -47.701 21.842 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -6.672 -48.649 21.988 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -6.190 -47.514 21.069 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.279 -39.882 23.525 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.167 -38.914 23.497 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -5.881 -40.142 24.376 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 1.853 -40.542 34.152 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 1.643 -40.098 34.979 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 2.798 -40.308 33.996 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -9.226 -37.816 21.147 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -10.165 -37.734 21.343 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -8.802 -37.141 21.721 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.075 -42.179 19.551 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -7.609 -41.855 18.799 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.116 -41.440 20.204 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.661 -51.011 24.919 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.122 -51.609 25.511 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.826 -50.113 25.311 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.600 -44.070 23.644 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -11.852 -44.126 22.716 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -12.221 -44.651 24.096 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -4.723 -46.536 27.998 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -5.017 -47.426 27.759 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -5.172 -45.960 27.358 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -5.750 -51.792 22.200 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -5.847 -51.569 23.147 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.801 -51.750 22.044 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.134 -43.641 20.576 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -8.381 -43.078 20.302 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.051 -43.694 21.545 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -4.116 -41.695 35.764 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -3.415 -41.074 35.473 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -4.543 -41.980 34.927 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.337 -48.822 20.963 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -0.835 -48.013 20.735 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -0.990 -49.080 21.841 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -1.418 -44.150 30.441 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -2.094 -43.591 30.865 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -1.898 -44.963 30.195 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -5.921 -48.660 25.992 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.098 -48.343 25.556 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -6.506 -47.882 25.981 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -5.090 -42.055 33.198 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.592 -41.207 33.214 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -5.330 -42.454 32.342 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -7.646 -40.099 21.165 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -7.196 -40.035 22.033 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -8.198 -39.292 21.122 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -6.687 -46.008 25.686 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -6.119 -45.954 24.882 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.483 -45.520 25.441 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -9.838 -35.904 17.403 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -10.004 -34.990 17.706 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -9.956 -35.859 16.451 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.343 -45.896 19.252 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.684 -45.128 19.761 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.914 -46.639 19.531 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -0.480 -41.936 33.544 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 0.439 -41.589 33.614 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -1.017 -41.289 34.052 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -1.600 -46.192 25.623 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.271 -46.324 26.530 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -0.847 -45.802 25.155 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.673 -42.028 31.799 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -1.817 -41.992 32.277 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.344 -41.972 32.508 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -3.153 -49.165 18.974 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.986 -50.024 18.523 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -2.491 -49.145 19.708 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -2.988 -50.087 24.366 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -3.272 -49.149 24.430 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -3.779 -50.592 24.617 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -0.396 -49.551 23.519 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -1.290 -49.786 23.864 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 0.195 -50.229 23.905 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -6.248 -39.621 33.047 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -5.556 -39.090 33.504 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -7.076 -39.140 33.241 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -10.185 -34.177 26.380 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -10.516 -33.737 25.563 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -10.799 -34.937 26.504 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -5.803 -36.257 30.477 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -6.630 -35.963 30.894 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -5.924 -37.217 30.364 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.755 -38.874 30.436 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.540 -39.258 31.312 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.447 -39.547 29.798 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -9.391 -38.467 18.421 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -9.219 -38.261 19.360 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -9.540 -37.588 18.009 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.212 -37.472 35.373 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -2.474 -36.746 35.990 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -1.637 -37.023 34.713 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.836 -43.953 42.021 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.365 -43.492 41.293 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.754 -43.695 41.912 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -4.317 -40.858 40.515 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.719 -41.630 40.443 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -4.840 -40.887 39.678 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -2.819 -39.078 37.673 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.640 -38.559 36.873 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -2.146 -39.795 37.651 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -5.394 -39.325 42.484 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -5.985 -39.929 42.944 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -5.007 -39.871 41.758 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -1.921 -40.244 35.048 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -1.461 -40.482 35.892 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -1.914 -39.267 35.038 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -5.509 -41.390 38.118 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -6.257 -41.874 37.760 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.907 -41.281 37.351 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -3.029 -35.321 36.814 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -2.774 -34.551 36.255 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -3.018 -34.961 37.724 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -2.482 -46.425 32.875 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -3.035 -45.976 32.194 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -2.851 -46.124 33.713 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.976 -38.611 43.709 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.705 -39.512 44.007 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.856 -38.752 43.313 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -3.148 -43.303 39.928 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -2.899 -43.274 38.981 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.944 -44.228 40.199 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -2.962 -45.782 41.075 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -3.788 -45.602 41.551 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -2.309 -45.947 41.783 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -0.593 -44.189 35.253 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.566 -43.411 34.658 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -1.247 -43.943 35.942 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.332 -43.177 37.238 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.719 -42.411 37.395 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -3.100 -42.777 36.781 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.856 -38.381 40.258 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -3.080 -39.262 40.607 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.844 -38.511 39.279 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -10.495 -27.565 10.116 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -9.931 -28.348 10.280 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -9.877 -26.884 9.830 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -4.113 -25.551 14.328 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -5.086 -25.479 14.296 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -3.938 -26.074 15.130 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.336 -35.653 9.669 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -0.565 -35.132 9.958 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.948 -35.617 10.432 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.575 -33.735 9.798 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.088 -32.899 9.921 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.641 -34.105 10.695 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -5.014 -34.436 12.556 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -5.397 -34.719 13.394 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -5.426 -33.556 12.389 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -12.622 -25.344 14.924 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -12.026 -25.012 14.223 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -12.076 -26.000 15.406 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -8.492 -24.839 11.347 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -7.715 -24.274 11.414 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -8.131 -25.751 11.409 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -1.016 -20.972 8.939 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -0.499 -20.168 8.731 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -1.949 -20.709 8.774 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.338 -29.873 14.680 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -5.245 -30.078 14.369 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.453 -29.111 15.256 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 0.947 -31.710 12.772 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 0.076 -32.096 12.956 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 1.564 -32.453 12.885 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.960 -30.291 13.877 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -7.723 -30.854 14.134 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -7.303 -29.378 13.955 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -2.727 -26.688 12.152 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -2.035 -26.103 11.784 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -3.095 -26.184 12.904 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -10.405 -24.922 13.333 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -9.947 -24.507 14.093 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -9.789 -24.786 12.579 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -15.104 -26.501 14.845 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -14.321 -25.916 14.794 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -15.498 -26.296 15.718 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -12.580 -23.706 17.137 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -12.809 -24.225 17.925 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -12.814 -24.287 16.386 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.244 -33.742 12.605 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -1.777 -33.012 13.000 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.865 -34.496 12.562 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -6.241 -32.053 11.961 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -6.996 -32.100 11.334 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -6.530 -31.399 12.637 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -8.883 -29.651 11.002 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -9.278 -29.781 11.887 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -8.755 -30.565 10.658 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -2.924 -18.400 17.726 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -3.429 -18.767 18.488 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -3.489 -17.697 17.387 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -9.698 -33.810 12.171 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -10.581 -33.949 12.546 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -9.288 -33.158 12.768 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -4.024 -28.523 10.648 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -4.920 -28.168 10.587 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -3.571 -27.923 11.288 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -7.537 -27.360 11.702 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -7.583 -27.449 12.684 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.888 -28.211 11.369 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -10.930 -26.834 16.498 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -10.296 -27.539 16.225 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -10.381 -26.226 17.035 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -6.958 -24.855 14.047 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -7.658 -24.396 14.556 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -7.241 -25.798 14.051 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -8.392 -32.281 10.273 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -7.979 -32.752 9.510 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -8.941 -32.969 10.710 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -9.952 -29.180 13.587 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -10.610 -28.510 13.298 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -9.458 -28.731 14.313 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -2.807 -36.015 12.006 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -3.009 -36.975 12.119 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -3.658 -35.567 12.203 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -10.425 -22.130 17.419 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -11.208 -22.674 17.167 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -10.712 -21.680 18.249 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -13.529 -28.543 13.989 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -14.250 -27.912 14.224 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -12.895 -27.998 13.469 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -12.863 -30.890 12.754 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -12.907 -30.614 11.834 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -13.125 -30.088 13.259 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.614 -27.268 12.559 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.402 -27.344 11.600 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -11.259 -26.387 12.811 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -12.734 -29.530 16.422 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -12.952 -29.219 15.514 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -13.072 -28.820 17.003 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.772 -32.999 14.064 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.239 -32.921 14.920 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -12.197 -32.313 13.498 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -9.318 -31.755 13.992 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -9.664 -30.839 13.871 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -10.111 -32.274 14.244 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -2.570 -36.872 16.719 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -2.490 -37.505 17.458 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -3.255 -36.237 17.022 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 1.245 -21.214 15.604 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 0.503 -20.674 15.955 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 1.215 -22.031 16.132 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 0.032 -22.894 10.529 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -0.331 -22.319 9.807 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -0.135 -22.388 11.334 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -5.110 -23.181 12.823 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -5.884 -23.658 13.188 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -4.351 -23.632 13.217 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -6.937 -33.747 8.429 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -6.792 -34.283 7.647 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -6.071 -33.763 8.897 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -3.821 -31.265 10.994 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -4.728 -31.488 11.300 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -3.871 -30.311 10.771 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -0.043 -36.529 15.611 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -0.947 -36.703 15.956 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -0.193 -36.110 14.759 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -8.361 -20.367 17.910 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -8.923 -21.137 17.679 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -8.974 -19.760 18.381 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -9.147 -23.907 15.624 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -9.136 -24.518 16.385 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -9.493 -23.072 16.001 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -2.930 -38.711 12.177 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -2.856 -39.281 11.388 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -2.289 -39.096 12.813 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -3.698 -20.439 8.669 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -4.455 -20.425 8.079 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -4.070 -20.738 9.529 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -5.043 -21.196 10.924 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -4.962 -21.992 11.497 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.531 -20.570 11.464 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -3.364 -41.051 16.001 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -4.077 -41.733 15.923 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -3.811 -40.222 15.793 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.924 -29.876 28.594 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -7.323 -30.385 29.171 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.570 -30.546 28.276 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -7.256 -22.011 25.240 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -7.522 -21.872 24.307 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -7.895 -22.683 25.575 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -7.623 -27.177 28.439 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -6.724 -27.122 28.079 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -7.806 -28.148 28.478 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -16.154 -29.936 29.011 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -15.850 -30.702 28.464 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -17.051 -29.769 28.700 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -11.960 -36.240 26.538 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -12.037 -37.156 26.809 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -12.789 -36.070 26.032 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -12.595 -24.363 24.953 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -12.470 -23.787 25.746 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -12.637 -25.269 25.326 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.450 -26.821 26.202 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -13.008 -27.200 26.913 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -11.590 -26.628 26.645 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -15.468 -28.545 31.244 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -15.711 -29.092 30.466 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -15.944 -28.948 31.973 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -10.099 -26.123 27.446 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -10.555 -25.747 28.232 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -9.314 -26.574 27.816 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.722 -24.996 19.760 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -11.787 -24.849 20.007 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -13.223 -24.590 20.498 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.657 -24.188 31.779 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -10.583 -23.228 31.819 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -9.759 -24.511 32.029 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.974 -23.188 27.366 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -11.308 -22.538 27.670 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -12.016 -23.841 28.092 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -8.524 -36.625 31.123 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.399 -36.747 32.091 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -8.175 -37.447 30.736 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -4.438 -35.431 18.113 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -5.174 -34.845 18.310 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -4.363 -36.000 18.906 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -14.636 -29.579 25.712 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -14.427 -28.961 26.441 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -14.042 -29.304 24.989 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -5.011 -33.946 29.320 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -5.257 -34.786 29.771 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -4.204 -33.650 29.792 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -9.354 -32.161 28.070 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.713 -32.753 27.380 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -9.322 -32.718 28.865 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -10.574 -33.133 17.662 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -11.437 -32.967 17.228 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -10.142 -32.256 17.667 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -6.468 -31.712 30.254 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -5.995 -31.815 31.109 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -6.101 -32.427 29.694 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -13.546 -33.937 23.490 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -13.675 -33.440 22.674 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -12.643 -33.684 23.782 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.916 -32.251 16.486 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.794 -32.341 16.873 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.776 -31.276 16.434 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -10.282 -30.265 17.540 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -9.601 -29.690 17.122 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -11.120 -29.976 17.129 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -4.734 -20.269 30.057 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -4.345 -20.872 29.391 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -5.483 -19.852 29.594 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -15.509 -31.743 27.089 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -15.217 -31.021 26.484 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -15.128 -32.539 26.706 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -14.156 -28.162 28.022 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -14.811 -28.780 28.403 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -13.770 -27.713 28.807 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -7.403 -32.538 23.295 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -7.402 -33.259 23.959 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -7.676 -31.760 23.791 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.661 -26.680 32.472 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.951 -27.039 33.041 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -11.414 -25.744 32.344 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -9.570 -30.404 33.678 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.524 -30.509 33.610 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -9.217 -30.918 32.912 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -8.381 -25.368 32.613 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -8.749 -26.224 32.921 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -7.790 -25.087 33.352 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.502 -23.452 23.405 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -11.143 -23.875 24.013 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -10.516 -24.018 22.610 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -11.450 -21.130 22.418 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -10.998 -21.934 22.769 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -11.256 -20.450 23.070 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.696 -25.073 29.397 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -12.381 -25.718 29.675 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.317 -24.750 30.242 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -7.765 -24.880 29.963 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.777 -25.704 29.431 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -7.896 -25.186 30.883 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -12.795 -28.307 23.979 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.559 -27.800 24.792 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -13.055 -27.629 23.348 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.505 -34.278 29.970 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -9.122 -35.050 30.442 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -10.064 -34.674 29.289 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -8.103 -36.105 22.966 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -7.251 -36.578 23.046 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -8.142 -35.553 23.779 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -11.410 -30.600 23.206 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -11.347 -30.478 22.233 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -11.885 -29.803 23.516 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.889 -32.038 31.615 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -8.087 -31.827 31.096 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -9.224 -32.860 31.208 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -9.315 -33.902 21.909 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -8.913 -34.771 22.116 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -8.605 -33.257 22.122 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -11.278 -20.861 19.675 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -10.976 -19.937 19.579 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.422 -20.967 20.639 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -13.352 -23.700 22.201 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -13.300 -23.945 23.145 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -12.974 -22.809 22.168 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -6.687 -21.992 32.739 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -5.721 -22.009 32.601 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -7.057 -21.945 31.833 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -15.570 -25.946 17.499 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -15.550 -25.253 18.163 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -14.789 -26.499 17.704 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -9.411 -27.589 33.867 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -8.873 -27.452 34.678 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -9.441 -28.563 33.767 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -13.148 -27.160 18.000 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.332 -27.074 17.457 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -12.989 -26.567 18.763 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.331 -30.567 20.458 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -10.982 -30.326 19.586 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.454 -31.540 20.408 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -5.179 -32.171 32.650 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -5.492 -32.907 33.232 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -5.097 -31.410 33.257 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -13.354 -27.057 30.399 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -12.729 -27.038 31.162 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -14.162 -27.484 30.766 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.081 -37.211 36.285 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.197 -36.875 36.530 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.664 -36.862 36.964 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -7.656 -37.333 33.617 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -8.006 -37.303 34.538 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -6.710 -37.133 33.718 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.963 -18.483 19.075 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.604 -18.029 18.477 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.273 -17.812 19.242 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -2.532 -31.513 13.413 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -3.083 -30.929 13.979 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -2.917 -31.408 12.517 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.568 -22.193 30.079 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -6.921 -22.047 29.367 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.693 -23.172 30.088 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -8.753 -23.810 26.667 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.249 -23.182 27.231 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -9.270 -24.638 26.720 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.181 -22.806 27.673 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.429 -22.439 26.799 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -6.801 -23.545 27.800 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -3.596 -22.133 28.312 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -3.056 -22.929 28.503 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -4.470 -22.495 28.034 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.779 -21.829 28.338 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.161 -21.867 29.094 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.502 -21.021 27.845 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.982 -33.145 23.975 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.455 -33.446 23.205 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.111 -32.177 23.812 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -14.240 -36.023 25.076 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -15.145 -36.235 24.842 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -14.015 -35.255 24.497 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -11.415 -33.291 20.282 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -10.675 -33.574 20.864 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -11.056 -33.381 19.378 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -4.869 -37.741 34.477 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -5.200 -37.189 35.213 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -3.915 -37.830 34.658 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -3.550 -33.017 42.326 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -3.198 -33.747 42.865 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -4.271 -33.427 41.814 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.179 -27.999 37.347 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -5.271 -28.789 37.913 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.217 -27.845 37.312 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -6.018 -33.956 34.486 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -5.842 -34.684 35.102 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -6.858 -33.569 34.807 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -5.087 -30.492 38.627 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -5.800 -31.048 39.015 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.399 -30.466 39.328 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -6.445 -30.519 36.190 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.783 -30.314 35.498 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -5.939 -30.472 37.026 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 0.594 -23.416 35.144 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 0.391 -24.313 35.484 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 0.294 -22.815 35.864 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -5.646 -35.948 36.498 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -6.151 -35.275 37.018 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -4.707 -35.773 36.729 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -6.864 -32.222 39.782 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -6.330 -32.968 40.146 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -7.498 -32.023 40.480 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -7.165 -33.988 37.581 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -7.668 -33.499 36.896 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -7.091 -33.355 38.320 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -3.382 -33.420 38.796 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -2.521 -33.138 39.187 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -3.718 -32.622 38.364 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -7.621 -27.914 36.012 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -6.784 -27.754 36.494 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -7.683 -28.881 35.969 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -2.415 -25.722 35.691 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -1.437 -25.744 35.792 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -2.727 -26.453 36.260 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -3.802 -22.578 39.593 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -4.215 -23.332 40.020 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -3.419 -22.948 38.766 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -2.789 -23.347 37.183 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -3.207 -22.755 36.510 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -2.699 -24.202 36.721 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -2.386 -27.951 37.368 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -2.212 -28.078 38.326 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -1.536 -28.146 36.951 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -5.284 -34.268 40.571 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -5.247 -35.232 40.774 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -4.592 -34.140 39.882 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -2.413 -24.497 33.139 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -2.546 -24.817 34.055 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -2.053 -25.275 32.666 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -7.088 -24.964 34.953 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -7.004 -25.538 35.724 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -6.839 -24.077 35.283 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -8.146 -32.453 35.508 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -8.772 -32.040 34.892 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -7.569 -31.704 35.795 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -0.116 -26.501 38.827 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 0.731 -26.996 38.801 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -0.685 -27.035 39.413 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -1.518 -28.589 39.963 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -2.143 -29.225 40.360 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -0.633 -28.896 40.276 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -3.163 -30.813 40.612 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -3.444 -31.374 41.364 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -2.364 -31.272 40.264 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -1.100 -32.343 39.809 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -0.622 -32.936 40.430 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -0.402 -32.053 39.174 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.161 -35.813 43.235 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -3.016 -36.613 43.777 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.905 -36.056 42.649 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 0.683 -42.939 40.712 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 0.905 -42.507 39.854 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -0.276 -42.860 40.772 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 0.292 -34.052 41.439 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -0.288 -34.837 41.320 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 1.188 -34.439 41.569 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -4.836 -36.864 41.328 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -4.130 -37.312 40.808 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.306 -37.602 41.770 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -6.280 -18.605 17.797 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -5.611 -18.803 18.495 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -6.951 -19.317 17.901 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.974 -17.075 15.066 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -9.209 -17.683 15.196 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -9.648 -16.415 14.452 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -11.669 -17.493 17.156 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -11.104 -17.274 16.380 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -12.477 -17.837 16.769 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -4.138 -14.913 13.837 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -4.030 -13.987 13.546 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -4.531 -15.352 13.084 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.808 -18.677 15.493 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -8.121 -19.539 15.799 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.115 -18.434 16.139 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 1.010 -17.655 29.299 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 1.864 -17.390 28.880 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 0.438 -17.888 28.533 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -3.295 -12.443 24.425 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -2.872 -11.876 25.088 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -2.781 -12.275 23.609 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 0.421 -14.787 29.492 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 0.390 -15.752 29.402 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 1.377 -14.590 29.641 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.404 -16.093 25.189 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.512 -16.825 24.537 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -4.067 -15.420 24.901 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.065 -16.970 28.377 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -2.855 -17.450 28.055 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -1.332 -17.324 27.828 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -8.617 -19.740 27.073 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -8.377 -19.686 26.136 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -7.856 -19.342 27.541 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -7.574 -16.963 19.550 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -7.039 -17.295 20.303 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -7.110 -17.312 18.761 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -6.396 -18.507 28.313 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -6.792 -17.628 28.129 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -5.475 -18.415 28.015 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.039 -18.189 26.874 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -4.678 -18.719 26.337 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -3.854 -17.401 26.316 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -8.652 -14.424 19.816 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -8.514 -14.019 18.958 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -8.309 -15.337 19.710 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -8.832 -14.332 22.591 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -8.305 -15.152 22.646 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.921 -14.170 21.627 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -3.896 -12.311 12.851 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -3.345 -11.745 13.400 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -4.082 -11.779 12.071 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -5.210 -14.381 24.236 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -6.086 -14.015 24.505 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -4.611 -13.595 24.237 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -9.581 -14.615 26.838 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -10.198 -14.151 27.416 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -10.145 -15.159 26.273 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -6.974 -16.387 22.996 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -6.288 -15.755 23.287 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -6.511 -16.964 22.343 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -2.175 -16.705 31.100 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.106 -16.826 30.131 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -2.204 -15.735 31.214 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -4.004 -21.865 35.303 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -4.969 -21.934 35.451 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.911 -21.888 34.329 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 0.220 -16.329 17.442 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 0.901 -16.619 16.794 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -0.617 -16.555 17.019 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -2.230 -17.939 21.185 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -2.667 -17.884 22.048 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -2.920 -18.302 20.592 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -1.501 -11.869 22.410 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -1.364 -11.286 21.657 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -1.127 -12.731 22.119 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -2.415 -14.364 27.627 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -2.887 -14.501 26.794 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -2.238 -15.271 27.953 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -2.042 -14.023 30.364 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -2.412 -13.925 29.468 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -1.101 -14.244 30.209 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -4.110 -18.134 23.596 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -4.551 -18.795 24.171 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -4.703 -18.071 22.811 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -3.064 -19.146 31.941 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -3.795 -19.470 31.368 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -3.065 -18.174 31.807 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -7.074 -16.086 27.117 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -7.911 -15.591 27.170 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -6.610 -15.682 26.374 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -0.168 -18.242 26.912 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -0.712 -19.064 26.848 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 0.163 -18.100 26.000 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -7.979 -18.881 24.050 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -7.872 -18.024 23.593 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -8.050 -19.532 23.328 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -5.714 -19.635 25.287 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -6.533 -19.250 24.894 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -5.938 -20.581 25.411 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -7.694 -13.735 25.000 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.385 -13.827 25.679 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -8.182 -13.808 24.148 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.855 -22.246 32.552 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -3.395 -23.116 32.634 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.801 -22.034 31.608 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -0.008 -20.129 39.325 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 0.013 -20.018 40.279 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -0.965 -20.038 39.093 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -2.634 -20.260 38.710 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -3.029 -20.228 37.831 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -3.129 -20.973 39.171 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -6.752 -22.263 35.415 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -7.485 -21.717 35.716 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -6.789 -22.193 34.427 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 2.233 -42.097 9.317 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 1.360 -41.815 9.650 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 2.596 -42.655 10.038 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 7.833 -39.486 10.213 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 7.463 -39.405 9.304 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 7.574 -40.387 10.495 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 3.192 -43.262 11.610 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 3.724 -42.553 12.021 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 2.649 -43.607 12.344 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 10.726 -45.708 12.898 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 10.834 -45.296 12.033 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 9.753 -45.758 13.017 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 14.147 -42.989 14.210 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 14.714 -43.693 13.883 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 13.320 -43.450 14.478 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 3.442 -40.630 7.388 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 3.073 -41.193 8.113 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 2.856 -40.795 6.644 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 11.021 -42.030 13.491 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 11.271 -42.742 14.110 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 10.045 -42.094 13.435 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 6.629 -41.887 10.866 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 5.844 -41.644 11.402 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 6.256 -42.266 10.060 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 8.306 -42.631 12.978 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 7.877 -42.290 12.166 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 8.227 -43.605 12.900 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 2.115 -44.494 13.917 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 2.377 -45.409 13.784 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 2.178 -44.364 14.893 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 2.289 -44.217 16.639 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 2.577 -44.397 17.564 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 2.778 -43.399 16.393 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 13.277 -46.803 13.116 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 12.330 -46.559 13.063 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 13.367 -47.224 13.994 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 7.764 -45.248 15.560 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 8.512 -45.424 16.176 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 7.178 -44.673 16.062 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -2.063 -50.049 13.919 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -1.746 -49.520 14.683 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -2.421 -49.398 13.313 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 7.851 -39.689 16.103 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 8.561 -40.371 16.147 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 7.765 -39.385 17.029 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 17.022 -49.334 12.289 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 16.557 -48.536 11.968 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 17.078 -49.903 11.517 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 7.062 -38.207 13.816 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 6.159 -38.504 13.576 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 7.271 -38.702 14.637 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 7.990 -45.378 12.889 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 7.850 -45.383 13.871 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 7.264 -45.911 12.546 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 1.189 -40.994 12.620 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 0.703 -40.960 11.764 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 2.064 -40.645 12.408 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 15.948 -36.353 10.421 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 14.987 -36.259 10.611 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 16.101 -35.753 9.688 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -0.426 -46.074 17.289 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 0.377 -45.539 17.148 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -1.006 -45.841 16.526 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 6.411 -41.609 14.759 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 6.858 -40.960 15.343 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 7.151 -42.058 14.297 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 11.859 -44.256 14.938 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 12.032 -44.826 15.720 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 11.412 -44.853 14.300 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -1.274 -48.645 16.162 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.230 -49.295 16.879 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -0.801 -47.868 16.514 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 9.842 -45.449 17.410 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 10.751 -45.719 17.178 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 9.841 -45.441 18.388 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 14.141 -47.902 15.557 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 14.088 -48.812 15.877 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 15.083 -47.791 15.306 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 16.193 -40.261 13.020 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 16.698 -39.849 13.751 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 16.856 -40.364 12.313 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 13.731 -38.719 12.798 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 13.010 -38.436 12.189 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 14.390 -39.131 12.212 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 13.628 -41.843 18.896 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 13.892 -41.164 19.570 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 13.911 -42.691 19.289 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 11.853 -40.744 11.232 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 11.527 -41.130 12.077 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 12.409 -41.430 10.860 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 16.710 -47.647 14.439 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 16.973 -48.470 13.971 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 16.486 -47.031 13.717 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -0.807 -39.503 13.788 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -0.094 -40.124 13.527 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -0.796 -39.527 14.771 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 4.656 -41.215 12.691 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 5.297 -41.344 13.426 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 4.556 -40.226 12.630 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 8.990 -37.748 11.964 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 8.685 -38.398 11.291 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.390 -37.900 12.729 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 11.595 -38.002 11.227 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 11.583 -38.960 11.007 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 10.677 -37.815 11.526 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 0.664 -38.764 8.575 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 1.136 -38.101 9.109 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -0.166 -38.321 8.318 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 2.162 -37.247 10.448 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 1.306 -37.298 10.938 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 2.825 -37.075 11.157 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 5.912 -37.527 10.663 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 6.596 -38.221 10.638 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 5.309 -37.810 11.387 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.267 -47.603 30.762 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 1.791 -47.702 31.584 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 0.374 -47.930 31.004 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 1.609 -51.364 24.428 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 1.527 -52.178 23.918 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 1.934 -51.666 25.313 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 1.388 -47.467 23.627 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 2.092 -47.978 24.076 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 0.628 -48.093 23.587 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 8.252 -44.778 27.193 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 8.059 -44.512 26.270 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 7.415 -45.180 27.504 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 2.789 -52.237 26.718 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 2.646 -52.888 27.411 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 3.386 -51.576 27.132 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.823 -48.079 26.635 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 5.726 -48.472 26.527 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.266 -48.578 25.998 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 4.284 -50.407 28.184 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 3.600 -50.320 28.893 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 4.384 -49.502 27.838 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 13.920 -43.150 28.902 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 14.812 -43.552 28.941 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 13.574 -43.247 29.817 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 9.072 -45.099 22.590 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 9.904 -44.642 22.872 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 9.296 -45.480 21.721 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 10.654 -45.672 20.168 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 11.399 -46.274 20.357 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 10.949 -44.803 20.536 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 17.330 -47.381 31.698 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 17.212 -47.475 30.733 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 18.172 -47.854 31.885 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 10.541 -46.113 27.933 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 10.727 -45.732 28.799 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 9.713 -45.658 27.643 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 1.165 -45.511 25.510 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 1.230 -46.153 24.768 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 1.892 -44.898 25.355 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 10.887 -42.034 19.026 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 11.834 -41.877 18.837 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 10.897 -42.544 19.866 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 0.452 -50.436 32.021 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -0.294 -49.842 31.797 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 0.300 -50.673 32.938 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 2.357 -46.737 21.112 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 2.009 -46.836 22.024 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 1.549 -46.715 20.554 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -2.353 -46.648 29.429 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -3.140 -46.664 28.842 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -1.597 -46.527 28.814 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 14.955 -47.728 32.981 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 14.408 -47.405 32.239 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 15.870 -47.699 32.627 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 13.786 -46.395 30.892 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 14.317 -45.601 31.112 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 12.878 -46.160 31.172 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 12.526 -46.082 16.890 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 13.094 -46.747 16.443 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 12.868 -46.048 17.795 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 5.890 -45.905 28.104 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 6.431 -46.439 28.737 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 5.382 -46.576 27.601 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 3.322 -49.204 24.601 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 3.723 -49.140 23.709 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 2.784 -50.026 24.564 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 8.474 -46.974 24.426 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 7.501 -47.034 24.290 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 8.757 -46.286 23.785 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.301 -45.797 31.820 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 10.699 -46.511 31.516 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 11.378 -45.945 32.784 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 9.142 -50.212 27.980 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 9.524 -51.065 27.747 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 9.922 -49.642 28.162 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 2.282 -50.025 29.960 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 1.755 -50.452 30.665 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 2.021 -49.088 30.008 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 4.326 -48.374 22.160 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 3.661 -47.801 21.714 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 4.916 -48.647 21.447 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 2.778 -46.893 32.971 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 3.424 -46.560 33.633 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 1.903 -46.689 33.370 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 7.377 -48.897 26.256 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 8.036 -49.317 26.844 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 7.909 -48.330 25.667 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 6.723 -49.981 29.504 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 7.418 -50.224 28.866 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 5.899 -50.319 29.103 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 5.729 -42.312 23.272 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 5.304 -41.484 23.009 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 6.557 -42.332 22.747 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 13.165 -46.690 21.055 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 13.810 -47.429 20.938 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 13.112 -46.573 22.022 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -1.309 -48.382 31.355 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -1.681 -48.046 30.514 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 -1.782 -47.866 32.043 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 5.904 -43.910 31.519 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 5.748 -43.000 31.877 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 6.215 -44.412 32.279 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -0.994 -44.085 20.905 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -0.185 -43.525 20.809 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -1.378 -43.795 21.740 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 5.780 -47.013 24.093 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.235 -47.458 23.418 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 5.315 -47.186 24.927 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 9.520 -41.803 16.632 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 9.712 -42.702 16.341 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 9.878 -41.769 17.548 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 3.101 -44.618 19.277 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 2.987 -45.339 19.921 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 3.359 -43.850 19.823 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 10.030 -48.055 30.800 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 9.782 -48.899 31.197 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 10.557 -48.309 30.007 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 7.853 -43.592 24.719 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 8.111 -44.146 23.957 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 6.996 -43.205 24.450 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 0.370 -41.609 18.333 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 0.333 -40.808 17.785 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 -0.171 -42.256 17.840 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 -0.155 -46.530 20.000 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -0.282 -46.451 19.031 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 -0.455 -45.660 20.352 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 0.219 -46.153 33.512 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 0.075 -45.482 34.216 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -0.682 -46.348 33.186 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 3.696 -42.179 15.353 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 3.346 -41.739 14.568 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 4.657 -42.022 15.306 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 5.405 -41.374 32.260 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 5.369 -40.708 31.562 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 5.085 -40.895 33.064 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 8.077 -42.054 21.939 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 8.630 -41.338 22.317 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.712 -42.762 21.737 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 3.865 -42.520 21.047 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 4.292 -42.919 21.823 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 4.372 -41.697 20.896 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 7.441 -47.379 29.762 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 7.082 -48.295 29.775 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 8.331 -47.468 30.137 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 13.379 -43.454 33.732 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 13.042 -44.338 33.994 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 13.157 -42.886 34.490 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 17.954 -47.014 16.832 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 18.861 -47.308 16.672 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 17.490 -47.190 15.983 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 5.071 -43.440 29.020 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 5.622 -43.484 29.828 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 5.343 -44.228 28.502 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 12.366 -43.339 31.173 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 12.696 -43.134 32.070 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 11.869 -44.173 31.289 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 1.103 -42.395 20.814 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 2.075 -42.371 20.915 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 0.944 -42.018 19.916 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 13.047 -45.832 23.764 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.544 -46.433 24.361 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 12.395 -45.133 23.532 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 17.308 -45.629 20.647 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 17.128 -46.539 20.334 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 16.643 -45.484 21.360 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 18.485 -44.776 18.350 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 18.180 -45.489 17.753 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 17.972 -44.921 19.177 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 11.137 -46.917 25.360 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 10.238 -47.120 25.033 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 10.994 -46.621 26.279 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -0.022 -46.315 27.971 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 0.534 -45.993 27.231 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 0.616 -46.536 28.670 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 16.445 -44.535 29.378 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 16.068 -44.402 30.274 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 17.357 -44.184 29.449 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 15.193 -44.218 31.801 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 14.587 -43.796 32.444 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 15.936 -44.551 32.361 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 11.392 -48.690 28.513 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 12.377 -48.721 28.575 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 11.206 -47.816 28.108 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 16.755 -47.270 28.882 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 17.718 -47.213 28.701 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 16.483 -46.339 29.011 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 5.336 -40.931 36.535 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 4.975 -40.484 35.726 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 5.646 -41.798 36.208 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 8.920 -44.830 40.939 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 9.243 -44.845 40.018 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 8.738 -43.877 41.110 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 13.326 -45.319 42.727 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 13.106 -45.769 43.547 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 13.421 -46.050 42.068 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 -1.391 -45.929 43.327 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 -0.513 -45.632 42.977 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 -1.179 -46.682 43.886 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -3.053 -43.776 43.999 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -3.701 -43.791 43.263 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -2.564 -44.615 43.903 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 6.549 -45.078 42.357 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 6.025 -44.987 41.539 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 7.466 -45.172 42.040 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.176 -38.089 47.528 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 14.593 -38.444 46.850 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 15.809 -37.525 47.032 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 7.645 -46.330 38.591 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 7.941 -46.677 39.445 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 8.386 -45.752 38.299 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 11.478 -43.668 41.508 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 12.175 -44.163 41.987 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 10.665 -44.168 41.685 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.748 -44.634 39.709 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 5.027 -44.597 39.042 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 6.427 -45.199 39.292 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 5.194 -43.319 43.947 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 5.774 -44.003 43.539 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 4.337 -43.419 43.473 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 11.129 -35.774 46.156 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 10.797 -34.912 46.481 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 12.102 -35.696 46.225 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 9.682 -44.514 38.284 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 10.539 -44.133 38.554 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 9.370 -43.910 37.571 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 2.773 -43.124 42.691 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 2.217 -42.956 41.906 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 2.502 -42.423 43.330 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 2.307 -41.183 44.524 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.203 -40.215 44.416 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 3.037 -41.274 45.164 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 11.828 -43.278 36.260 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 12.035 -43.004 37.174 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 10.876 -43.079 36.163 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 4.235 -45.705 35.010 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 4.813 -46.270 35.573 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 3.689 -45.220 35.645 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 1.004 -45.207 42.326 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 0.871 -44.723 41.490 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 1.757 -44.749 42.743 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 15.575 -49.850 36.438 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 15.323 -48.914 36.334 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 14.984 -50.319 35.843 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 5.911 -41.948 40.324 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 5.161 -41.630 39.771 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 5.868 -42.925 40.240 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 1.438 -44.135 37.180 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 1.215 -43.254 37.567 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 0.737 -44.287 36.519 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 5.479 -40.817 42.795 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 5.518 -41.136 41.871 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 5.482 -41.637 43.326 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 6.748 -35.248 48.444 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 5.956 -35.704 48.095 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 6.551 -35.111 49.375 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 8.559 -42.170 40.953 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 9.104 -41.613 40.357 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 7.633 -41.999 40.666 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 11.674 -42.639 39.049 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 11.084 -41.856 39.042 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 11.669 -42.933 39.996 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 9.053 -42.726 36.304 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 8.110 -42.815 36.067 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 9.283 -41.800 36.036 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 7.607 -39.660 37.458 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 6.817 -40.153 37.147 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 7.328 -38.719 37.422 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 4.055 -44.065 37.666 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 4.021 -43.164 38.057 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 3.104 -44.300 37.537 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 13.127 -38.819 42.339 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 13.230 -39.754 42.119 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 13.832 -38.368 41.808 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 6.168 -43.522 35.975 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 5.895 -44.052 35.213 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 5.522 -43.763 36.673 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 5.814 -47.171 36.689 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 5.866 -48.121 36.825 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 6.466 -46.801 37.323 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 -2.346 -41.205 44.169 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 -1.405 -41.396 44.097 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -2.764 -42.094 44.248 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 19.629 -41.287 45.643 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 20.558 -41.585 45.545 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 19.171 -41.692 44.879 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 14.047 -44.189 38.790 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 14.589 -44.075 39.606 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 13.278 -43.611 38.934 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 13.613 -47.392 40.991 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 13.537 -48.348 40.959 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 13.800 -47.136 40.056 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 15.354 -43.956 41.158 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 16.287 -44.178 41.328 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 14.867 -44.383 41.883 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 19.998 -47.043 53.358 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 19.646 -47.691 53.970 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 20.942 -47.204 53.356 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 14.071 -46.872 38.331 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 14.110 -45.893 38.417 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 14.259 -47.035 37.388 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 12.308 -45.786 34.697 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 13.025 -46.352 35.045 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 12.052 -45.231 35.457 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 4.649 -41.594 45.964 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 4.885 -42.242 45.255 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 4.882 -42.046 46.781 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 -0.233 -38.002 43.320 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 -0.367 -37.399 42.566 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 -1.136 -38.275 43.567 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 2.269 -38.430 44.275 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 1.337 -38.374 43.947 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 2.517 -37.493 44.443 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 8.493 -40.796 43.292 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 8.612 -41.475 42.598 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 9.360 -40.331 43.324 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 16.498 -39.085 49.777 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 17.062 -39.688 49.268 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 15.919 -38.674 49.103 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 13.845 -35.611 46.030 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 14.730 -35.808 46.380 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 13.893 -35.884 45.092 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 2.578 -35.393 41.943 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 2.370 -36.116 41.311 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 2.755 -35.851 42.788 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 3.756 -41.540 38.685 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 4.129 -41.118 37.880 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 2.777 -41.474 38.563 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 7.746 -26.596 5.297 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 7.838 -27.022 6.161 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 8.425 -25.894 5.309 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 6.587 -26.235 10.159 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 7.152 -26.633 10.869 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 6.064 -26.999 9.823 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 8.563 -26.204 8.196 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 7.818 -26.135 8.822 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 9.360 -26.140 8.764 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 2.869 -22.854 10.445 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 1.914 -23.065 10.435 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.290 -23.617 9.991 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 3.567 -30.325 11.457 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 3.901 -30.719 10.628 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 4.090 -30.758 12.156 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 5.589 -22.150 11.021 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 5.693 -21.763 10.126 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 4.642 -22.381 11.068 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 17.631 -37.103 12.424 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 17.114 -36.940 11.599 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 17.139 -36.612 13.111 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 10.569 -28.735 12.607 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 10.967 -28.546 11.730 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 10.769 -29.662 12.760 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 5.766 -36.063 8.412 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 5.020 -36.523 7.985 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 5.820 -36.482 9.307 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 0.781 -34.092 10.844 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 -0.003 -33.891 11.411 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 1.508 -34.218 11.490 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 4.578 -31.152 8.995 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 5.193 -31.917 8.982 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 3.839 -31.436 8.417 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 5.258 -25.530 4.724 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 5.527 -25.026 3.936 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 6.036 -26.089 4.925 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 12.510 -33.111 10.439 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 12.764 -32.191 10.268 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 11.723 -33.256 9.864 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 2.521 -34.092 13.062 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 2.832 -33.679 13.905 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 2.756 -35.049 13.161 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 6.287 -39.318 7.977 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 5.599 -38.666 8.218 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 5.834 -39.925 7.379 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 9.475 -24.643 6.150 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 10.409 -24.484 6.414 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 9.096 -25.140 6.910 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 11.829 -24.478 7.516 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 12.422 -23.805 7.904 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 11.496 -24.978 8.290 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 13.683 -30.252 9.864 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 14.291 -30.709 9.277 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 14.239 -29.556 10.291 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 5.450 -28.658 9.738 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 5.908 -29.082 10.495 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 5.077 -29.415 9.237 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 4.336 -24.853 9.240 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 4.575 -24.507 8.351 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 5.181 -25.192 9.597 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 6.510 -20.574 5.915 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 6.920 -21.423 5.632 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 6.646 -19.978 5.152 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 -0.649 -25.577 10.616 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 -0.487 -24.608 10.608 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 0.054 -25.937 10.061 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 9.067 -17.331 2.825 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 9.984 -17.010 2.936 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 8.855 -17.130 1.888 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 0.794 -18.892 8.634 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 1.324 -19.293 9.360 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 0.851 -17.934 8.797 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 7.462 -23.015 5.266 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 7.242 -23.399 4.390 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 8.273 -23.500 5.543 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 4.799 -33.927 11.486 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 5.403 -34.552 11.952 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 3.911 -34.165 11.818 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 6.054 -35.643 13.199 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 5.155 -36.023 13.072 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 6.609 -36.417 13.411 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 2.731 -32.512 7.475 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 2.705 -33.411 7.889 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 2.614 -32.684 6.535 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 8.124 -27.671 11.822 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 7.698 -28.553 11.850 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 9.006 -27.822 12.219 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 6.023 -33.441 9.152 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 5.544 -33.611 9.998 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 5.913 -34.278 8.649 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 3.822 -38.059 8.308 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 3.544 -38.936 7.959 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 3.263 -37.929 9.098 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 8.156 -32.297 10.381 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 8.311 -32.994 11.055 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 7.422 -32.660 9.829 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 6.928 -30.095 11.595 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 6.357 -30.550 12.250 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 7.464 -30.818 11.210 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 5.391 -31.796 13.047 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 6.159 -32.218 13.494 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 5.024 -32.514 12.489 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 13.908 -25.520 12.952 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 13.485 -26.323 12.623 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 14.852 -25.625 12.692 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 2.986 -27.245 10.114 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 3.789 -27.799 10.081 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 3.290 -26.369 9.806 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.588 -22.642 6.022 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 14.077 -22.588 6.864 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.287 -23.466 5.618 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 10.837 -25.865 9.734 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.231 -26.764 9.818 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 10.515 -25.660 10.643 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 5.298 -23.818 6.848 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 6.110 -23.441 6.448 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 4.995 -24.477 6.184 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 4.108 -19.095 8.829 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 4.585 -19.922 8.607 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 3.440 -19.376 9.486 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 2.276 -20.164 10.568 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 2.502 -21.115 10.477 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 2.128 -20.046 11.529 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 8.573 -34.996 11.439 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 8.512 -35.154 10.477 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 8.740 -35.884 11.811 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 7.723 -22.510 0.858 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 7.338 -21.638 1.100 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 8.403 -22.296 0.216 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 6.994 -18.689 3.941 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 6.672 -17.967 4.521 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 7.833 -18.334 3.567 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 9.350 -29.924 9.580 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.995 -30.812 9.772 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 8.567 -29.384 9.423 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 -1.914 -37.770 8.127 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 -1.751 -36.972 8.693 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 -2.188 -37.404 7.279 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 -1.007 -19.798 16.333 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 -1.655 -20.091 15.685 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 -1.537 -19.286 16.984 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 -1.335 -28.210 9.632 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 -2.207 -28.633 9.726 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 -1.486 -27.293 9.912 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 11.568 -28.481 10.070 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 12.324 -29.078 9.880 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 10.781 -28.990 9.758 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 2.361 -34.908 8.702 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 2.605 -35.821 8.923 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 1.760 -34.642 9.426 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 1.114 -31.506 9.505 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 0.932 -32.325 9.997 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 1.596 -31.806 8.711 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 -2.705 -39.937 9.626 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 -3.420 -40.299 9.092 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 -2.408 -39.145 9.123 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 1.841 -19.852 13.264 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 1.473 -20.481 13.922 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 2.578 -19.422 13.740 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 7.521 -24.010 11.551 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 7.151 -24.702 10.975 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 6.912 -23.253 11.432 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 2.914 -16.068 6.369 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 3.710 -16.265 6.904 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 2.586 -16.954 6.094 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 5.451 -21.411 8.277 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 5.917 -20.962 7.535 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 5.216 -22.285 7.911 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 10.248 -33.570 8.977 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 9.576 -32.978 9.348 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 9.754 -34.386 8.762 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 13.278 -35.801 10.737 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 12.505 -36.400 10.715 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 12.901 -34.909 10.577 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 8.463 -35.721 8.776 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 8.770 -36.636 8.746 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 7.529 -35.772 8.472 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 6.912 -24.224 2.868 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 7.421 -25.027 2.704 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 7.118 -23.646 2.098 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.676 -20.186 5.256 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.818 -19.903 6.173 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 15.192 -21.034 5.343 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 12.033 -23.073 38.262 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 12.377 -23.919 38.611 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 12.706 -22.789 37.611 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 8.126 -27.755 44.755 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.312 -27.274 44.520 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 8.847 -27.169 44.440 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 0.825 -31.917 38.009 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 0.750 -32.729 37.467 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 1.027 -31.201 37.352 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 1.119 -29.150 40.666 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 1.530 -28.830 39.833 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 1.852 -29.575 41.143 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 9.660 -25.797 43.539 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 10.597 -25.551 43.704 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 9.517 -25.575 42.602 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 16.070 -34.480 44.047 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 16.290 -34.046 43.193 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 15.418 -35.172 43.797 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 12.374 -30.845 45.130 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 13.058 -30.144 45.031 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 12.895 -31.682 45.147 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 4.486 -33.991 40.612 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 4.024 -33.227 40.197 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.774 -34.460 41.102 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 3.252 -30.681 41.967 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 2.519 -31.120 42.445 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 3.290 -31.153 41.105 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 6.080 -30.201 42.489 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 5.135 -30.395 42.336 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 6.214 -29.326 42.077 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 17.217 -30.073 47.329 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 16.812 -29.822 46.464 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 17.669 -29.260 47.622 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 7.515 -33.204 44.727 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 7.167 -33.391 43.824 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 7.705 -32.246 44.716 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 8.032 -28.268 37.492 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 8.266 -27.799 38.324 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 8.149 -29.193 37.705 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 6.674 -33.954 42.253 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 7.330 -33.979 41.527 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 5.816 -33.846 41.793 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.244 -25.875 36.245 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 0.045 -25.940 37.211 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 1.179 -26.167 36.177 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 15.561 -24.395 45.982 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 15.976 -24.070 45.152 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 15.001 -25.149 45.688 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 14.315 -36.484 43.411 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 14.752 -36.642 42.534 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 13.672 -37.211 43.480 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 11.613 -24.059 41.592 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 11.926 -24.259 42.504 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 11.949 -23.145 41.417 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 14.419 -26.903 40.494 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 15.017 -26.805 41.256 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 14.431 -27.858 40.299 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 14.322 -26.551 44.889 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 14.251 -27.520 45.072 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.932 -26.500 44.118 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 10.006 -30.725 46.368 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 9.288 -30.639 45.699 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 10.836 -30.770 45.827 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 6.326 -27.564 41.603 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 6.322 -27.029 42.428 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 5.588 -27.213 41.091 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 12.194 -24.929 44.138 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 12.923 -25.559 44.313 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 11.978 -24.565 45.028 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 9.125 -24.749 40.878 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 10.012 -24.362 41.073 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 8.546 -23.979 40.778 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 4.204 -30.250 37.711 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 3.677 -29.898 36.952 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 5.000 -29.715 37.708 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 13.272 -22.358 35.831 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 13.781 -21.519 35.800 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 12.369 -22.090 35.637 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 9.843 -21.395 38.348 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 10.355 -20.723 37.859 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.484 -22.122 38.484 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 9.572 -18.515 35.532 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 10.215 -19.084 36.010 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 10.069 -17.686 35.364 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 8.154 -17.677 39.525 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 8.544 -18.066 40.315 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 7.622 -18.388 39.148 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.806 -33.154 48.352 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 13.888 -32.815 48.256 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 15.249 -32.478 48.914 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 4.740 -38.945 45.382 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 3.850 -38.810 44.982 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 4.746 -39.898 45.634 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 9.282 -37.489 45.154 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 10.083 -37.067 45.546 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 8.558 -36.869 45.386 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 12.323 -32.024 48.288 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 11.723 -32.637 47.815 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 11.721 -31.500 48.854 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 6.061 -26.053 43.895 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 6.675 -25.342 44.210 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 5.259 -25.913 44.409 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 3.094 -31.923 39.545 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 3.569 -31.330 38.914 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 2.214 -32.053 39.127 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -1.255 -36.326 41.328 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -1.719 -37.043 40.845 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -1.906 -36.027 41.996 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 10.050 -30.691 49.173 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 9.882 -30.711 48.210 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 9.784 -29.779 49.443 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 0.973 -31.923 43.016 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 0.163 -31.408 43.103 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 0.717 -32.675 42.431 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 14.032 -32.952 45.213 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 13.801 -33.739 45.741 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 14.876 -33.191 44.793 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 8.004 -30.440 44.465 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 7.329 -30.500 43.751 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 8.069 -29.473 44.648 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 10.164 -33.371 47.199 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 9.296 -33.614 47.545 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 10.027 -32.481 46.813 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 11.927 -24.385 46.800 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 11.362 -24.910 47.394 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 12.680 -24.127 47.356 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 11.372 -28.403 47.330 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 12.236 -28.826 47.489 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 10.846 -29.092 46.889 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 12.284 -25.550 39.335 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 12.005 -25.134 40.180 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 13.065 -26.095 39.588 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 4.588 -24.176 37.408 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.952 -24.832 37.063 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 4.974 -23.765 36.599 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 8.491 -27.236 39.937 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 8.844 -26.402 40.310 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 7.787 -27.498 40.565 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 7.833 -24.433 45.109 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 7.993 -24.647 46.054 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 8.632 -24.760 44.652 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 16.894 -19.084 37.409 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 16.276 -18.690 36.748 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 16.719 -20.043 37.356 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 7.029 -23.927 38.643 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 6.094 -24.134 38.432 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 7.101 -22.964 38.476 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 10.419 -30.410 51.919 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.375 -31.209 52.446 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 10.294 -30.717 51.000 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 5.972 -22.736 35.515 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 6.684 -22.078 35.600 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 5.292 -22.283 34.976 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 15.359 -35.681 49.139 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 14.755 -36.315 48.729 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 15.008 -34.802 48.875 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 2.968 -26.364 36.170 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 3.172 -27.281 35.842 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.181 -25.781 35.409 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.498 -25.869 49.536 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 13.796 -24.985 49.244 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 14.156 -26.480 49.152 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 2.616 -33.301 44.744 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 1.942 -32.870 44.180 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 3.328 -32.656 44.794 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 3.163 -24.151 34.529 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 2.244 -23.868 34.728 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 3.631 -23.318 34.335 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 8.429 -25.655 47.498 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 9.176 -25.614 48.122 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 8.315 -26.597 47.329 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 7.386 -35.661 45.812 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 7.422 -35.434 46.767 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 7.437 -34.783 45.355 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 9.508 -28.227 50.202 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 9.835 -28.461 51.086 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 9.962 -27.393 49.989 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 5.003 -36.591 46.741 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 5.800 -36.281 46.262 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 4.906 -37.526 46.462 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 3.956 -21.467 34.169 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 3.121 -21.156 34.582 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 4.336 -20.665 33.773 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 2.038 -28.074 38.309 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 2.645 -27.484 37.830 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 1.833 -28.786 37.654 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.251 -23.588 48.214 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 14.374 -22.635 48.258 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.790 -23.866 47.437 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 10.904 -26.185 48.774 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 11.785 -26.060 49.196 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 11.021 -26.993 48.213 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 13.812 -29.729 47.746 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 13.383 -30.607 47.830 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 14.119 -29.699 46.804 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.254 -35.932 44.670 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.808 -36.031 45.470 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 2.941 -34.996 44.709 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 16.665 -36.280 46.050 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 16.509 -35.575 45.387 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 17.623 -36.211 46.247 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 12.433 -21.632 40.791 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 12.603 -21.857 39.860 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 12.769 -20.722 40.879 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 17.006 -37.913 52.204 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 16.169 -37.984 52.667 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 16.847 -38.370 51.346 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 10.537 -39.084 43.277 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 10.343 -38.441 43.986 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 11.443 -38.858 42.985 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 -0.357 -21.891 37.136 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 -1.199 -22.321 37.385 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 -0.136 -21.332 37.906 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.554 -20.417 35.479 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 8.287 -19.764 35.456 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 7.181 -20.388 34.571 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 14.142 -20.802 38.389 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 14.155 -20.318 37.533 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 13.895 -20.121 39.046 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 1.656 -20.270 35.124 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 1.901 -19.985 36.040 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 0.864 -20.812 35.254 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 11.018 -5.047 -8.965 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 11.126 -4.188 -9.428 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 10.302 -5.498 -9.455 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 8.912 -10.257 -6.827 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 9.067 -10.386 -7.798 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 8.391 -11.026 -6.572 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 9.432 -7.255 -9.731 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 9.222 -7.782 -10.526 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 10.282 -7.640 -9.409 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 8.548 -7.520 -7.081 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 8.545 -8.499 -7.033 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 8.632 -7.329 -8.040 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 13.632 -15.266 -9.743 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 13.632 -15.385 -8.765 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 14.296 -15.891 -10.056 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 9.361 -9.141 -11.864 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 8.812 -9.232 -12.650 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 10.246 -9.449 -12.152 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 14.100 -15.496 -7.013 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.777 -15.016 -6.221 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 14.683 -16.196 -6.642 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 13.529 -12.161 -13.333 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 14.054 -12.703 -13.950 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 13.054 -12.826 -12.775 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.979 -4.041 -11.230 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.174 -3.494 -11.136 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 13.849 -4.766 -10.580 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 13.659 -5.789 -9.182 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.686 -5.911 -9.191 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 13.843 -5.424 -8.289 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 11.773 -8.343 -8.901 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 11.815 -9.227 -9.326 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.525 -8.339 -8.289 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 10.880 -6.181 -6.478 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 11.030 -5.686 -7.316 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 10.083 -6.723 -6.664 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 8.202 -7.124 -4.334 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.050 -7.132 -5.304 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 8.214 -6.171 -4.100 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 14.244 -14.246 -4.458 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 15.218 -14.235 -4.515 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 14.064 -14.258 -3.500 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.238 -14.268 -1.655 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 13.413 -14.262 -1.125 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.807 -14.902 -1.201 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 12.129 -13.988 0.116 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 12.041 -13.083 -0.267 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.949 -13.863 1.057 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 11.917 -10.008 -12.820 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 12.400 -9.267 -13.203 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 12.419 -10.802 -13.119 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 9.235 -10.585 -9.479 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 10.172 -10.836 -9.626 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 9.000 -10.079 -10.278 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 16.476 -3.278 -1.795 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 16.723 -2.929 -2.670 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 17.194 -2.972 -1.199 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 8.469 -8.363 -1.919 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 7.639 -8.813 -1.716 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 8.306 -7.943 -2.798 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 10.403 -8.893 -4.897 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 9.691 -8.253 -4.715 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.035 -9.465 -5.604 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 14.136 -4.587 -6.788 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.716 -3.717 -6.906 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 15.094 -4.384 -6.745 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 15.986 -16.870 -5.578 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 16.327 -17.633 -5.106 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 16.351 -16.104 -5.091 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 11.852 -10.762 -10.154 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 11.963 -10.570 -11.106 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 12.573 -11.407 -9.954 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.048 -2.877 -9.879 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 15.327 -3.254 -10.427 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 16.802 -2.797 -10.500 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 10.922 -5.672 -3.823 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 10.832 -5.736 -4.797 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 10.085 -5.261 -3.537 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 10.985 -9.473 -2.309 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 10.973 -9.403 -3.291 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 10.090 -9.174 -2.043 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 12.119 -11.399 -0.727 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 11.874 -10.933 0.101 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 11.717 -10.852 -1.435 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 17.087 -1.456 -6.458 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.393 -0.882 -6.844 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.041 -2.277 -6.990 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 16.756 -3.987 -7.482 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 16.558 -3.752 -8.416 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 17.154 -4.882 -7.539 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 20.784 -10.196 -12.984 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 21.492 -10.159 -13.635 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 19.961 -10.265 -13.527 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 18.518 -10.262 -14.472 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 18.221 -10.127 -15.375 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 17.696 -10.456 -13.974 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 13.851 -12.503 -9.727 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 13.520 -13.417 -9.648 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 14.814 -12.612 -9.823 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 16.698 -11.269 -3.650 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 15.988 -11.250 -2.973 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 17.383 -11.848 -3.261 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.308 -14.170 -11.940 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 12.817 -14.566 -11.202 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 11.411 -14.487 -11.803 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 8.447 -4.441 -3.578 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 7.666 -3.925 -3.808 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 9.060 -3.782 -3.172 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.356 -2.842 -2.472 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 10.578 -2.799 -1.535 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 11.035 -2.304 -2.902 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 13.915 -1.898 -8.417 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 14.170 -1.082 -7.935 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 14.733 -2.160 -8.890 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 16.066 -3.379 -4.641 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 16.482 -4.246 -4.761 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 16.590 -2.780 -5.206 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 7.869 -13.741 8.877 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 7.281 -14.323 9.390 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 7.278 -13.340 8.199 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 18.177 -3.341 9.166 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 17.499 -2.719 9.514 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 17.870 -3.551 8.262 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 8.908 -8.509 1.834 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 9.077 -7.864 1.117 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.650 -7.959 2.594 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 5.910 -10.905 4.963 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 6.609 -11.469 4.569 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 5.456 -10.525 4.206 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.496 -22.543 8.501 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.885 -21.871 8.883 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 14.277 -22.515 9.090 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 2.382 -15.892 10.241 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 1.962 -16.430 10.949 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 1.730 -15.908 9.512 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 3.564 -10.813 9.780 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 4.512 -10.593 9.633 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 3.314 -10.277 10.536 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 11.922 -11.508 3.429 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.622 -11.019 2.635 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 11.295 -12.257 3.503 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 11.216 -9.835 1.323 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 10.315 -9.486 1.530 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 11.674 -9.081 0.916 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 10.511 -4.963 5.481 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 9.684 -4.883 4.994 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 10.410 -5.790 5.989 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 15.420 -2.546 5.844 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 15.656 -3.147 6.568 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 14.845 -1.875 6.268 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 16.925 -19.586 2.863 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 16.451 -19.566 3.728 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 16.386 -20.167 2.315 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 15.242 -3.847 11.379 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 15.551 -4.443 12.091 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 15.838 -3.076 11.438 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 12.596 0.215 4.468 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 12.094 -0.138 5.235 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 12.094 -0.083 3.700 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 14.027 -3.700 -0.827 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 14.142 -3.654 0.133 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 14.950 -3.600 -1.184 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 14.718 -2.879 3.200 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 13.921 -3.436 3.330 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 15.070 -2.754 4.106 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 16.139 -11.394 14.008 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 15.643 -12.105 13.530 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 17.024 -11.760 14.113 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 16.740 -11.618 0.443 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 16.947 -12.565 0.282 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 16.057 -11.406 -0.224 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 6.239 -10.551 9.253 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 6.291 -11.118 8.466 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 7.085 -10.707 9.716 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 3.726 -13.079 8.331 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 2.842 -13.364 8.064 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 3.564 -12.275 8.883 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 12.626 -11.527 6.088 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 12.192 -12.118 6.734 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 12.303 -11.840 5.223 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 8.434 -15.996 15.132 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.761 -15.917 16.049 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 8.119 -15.092 14.919 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 13.931 -14.150 7.995 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 14.063 -14.870 7.372 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 13.004 -13.871 7.849 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 7.526 -13.058 4.462 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 7.168 -13.382 5.302 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 7.327 -13.783 3.819 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 6.500 -20.174 1.607 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 5.585 -20.404 1.791 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 6.768 -19.626 2.375 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 9.606 -15.103 6.322 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 9.961 -16.000 6.473 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 8.658 -15.191 6.500 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 6.309 -16.425 5.451 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 5.577 -16.012 4.976 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 5.948 -16.588 6.353 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 6.101 -12.533 7.159 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 5.934 -11.891 6.431 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 5.198 -12.785 7.468 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 10.807 -6.089 2.384 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 10.501 -6.275 1.471 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 10.039 -6.312 2.941 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.242 -13.640 4.051 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 9.341 -13.288 3.900 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 10.168 -14.113 4.908 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 11.095 -10.260 10.934 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 11.259 -9.655 10.201 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 10.213 -10.650 10.731 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.320 -13.466 7.695 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 11.043 -13.597 8.626 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 10.668 -13.984 7.177 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 9.851 -6.829 -0.103 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 9.324 -7.279 -0.800 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 10.516 -6.307 -0.604 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 12.482 -7.594 7.531 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 12.508 -7.005 8.318 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 13.261 -8.176 7.648 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 8.640 -6.911 4.102 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 9.121 -7.304 4.867 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 7.718 -6.890 4.389 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 10.006 -7.586 6.390 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 9.480 -8.140 6.983 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 10.925 -7.653 6.752 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 12.549 -4.481 3.719 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 12.022 -4.412 4.545 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.912 -4.844 3.063 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 11.895 -1.976 11.252 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 11.989 -2.914 11.520 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 12.757 -1.755 10.850 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 10.242 -14.221 10.175 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 9.387 -14.137 9.697 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 10.005 -14.666 11.002 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 12.492 -17.094 5.379 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 13.242 -17.688 5.497 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 11.806 -17.453 5.974 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 11.992 -5.563 -1.289 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.755 -5.433 -2.237 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 12.679 -4.884 -1.119 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 8.321 -16.361 0.335 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 8.992 -15.872 -0.153 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 7.848 -16.876 -0.359 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 8.017 -12.928 12.551 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 7.820 -12.982 13.510 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 7.675 -13.770 12.188 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 15.048 -3.581 8.553 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 15.035 -3.707 9.526 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 14.529 -2.774 8.413 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 5.081 -16.787 7.873 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 4.746 -17.666 8.188 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.081 -16.232 8.679 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.902 -9.109 13.349 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 11.695 -9.527 12.486 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.060 -9.106 13.818 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 13.675 -4.172 -3.652 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.775 -3.916 -2.723 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 14.475 -3.800 -4.089 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 12.835 -8.147 -0.801 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 12.507 -7.227 -0.848 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 12.188 -8.660 -1.327 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 11.439 -7.133 17.954 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 11.513 -8.020 18.357 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 10.489 -6.908 18.049 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 7.209 -15.321 11.365 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 6.305 -15.235 10.986 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 7.149 -16.108 11.948 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 4.896 -14.971 9.944 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 4.602 -14.211 9.398 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.049 -15.387 10.240 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 8.660 -11.474 10.337 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 8.448 -11.841 11.229 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 8.562 -12.239 9.739 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 8.683 -15.298 17.804 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 9.261 -15.466 18.566 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 8.589 -14.320 17.787 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 14.039 -8.196 14.747 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 13.226 -8.482 14.262 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 14.214 -8.936 15.377 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 7.076 -17.396 13.242 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 7.492 -16.946 14.011 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 6.701 -18.214 13.617 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 9.805 -17.976 12.940 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 8.862 -17.891 12.731 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 9.952 -17.327 13.636 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 12.533 -12.639 11.092 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 11.860 -13.279 10.801 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 12.073 -11.778 11.055 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 19.810 -0.931 9.356 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 19.472 -1.830 9.502 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 19.588 -0.455 10.186 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 10.930 0.493 11.623 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.102 0.451 12.113 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.207 -0.455 11.536 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 12.268 -4.327 14.767 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 12.663 -4.925 15.436 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 11.566 -3.873 15.241 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 14.802 -11.576 -1.646 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 14.720 -12.545 -1.780 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 13.926 -11.312 -1.304 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 13.520 -16.155 1.197 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 12.897 -16.269 1.945 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 13.057 -15.542 0.599 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 17.306 -11.700 3.132 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 16.914 -11.621 2.240 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 17.155 -12.639 3.380 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 18.696 -18.117 1.272 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 19.391 -18.771 1.150 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 18.086 -18.533 1.918 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 0.746 -16.124 8.032 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 1.479 -16.001 7.387 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 -0.028 -16.287 7.482 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 7.106 -17.791 -1.687 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 6.873 -17.840 -2.620 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 6.669 -18.554 -1.291 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 11.221 -0.816 6.634 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 10.523 -1.473 6.747 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 11.119 -0.220 7.417 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 11.324 0.723 8.848 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.125 1.273 8.775 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 11.106 0.739 9.802 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 1.863 -18.564 6.104 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 2.089 -19.433 5.761 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 1.457 -18.750 6.979 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 11.509 -15.950 3.104 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 11.127 -15.099 3.403 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 11.914 -16.330 3.919 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 7.284 -15.112 2.733 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 7.392 -15.260 1.778 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 7.661 -15.910 3.138 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 1.126 -17.398 12.156 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 0.779 -16.990 12.955 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 1.240 -18.336 12.398 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.785 -19.105 15.129 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 3.465 -19.861 15.645 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 4.707 -19.343 14.902 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 12.659 -4.498 12.032 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 13.613 -4.287 11.970 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 12.483 -4.533 13.001 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 9.186 -14.288 24.364 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 9.352 -14.597 25.260 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 9.537 -13.367 24.360 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 6.554 -13.601 23.999 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 6.250 -13.796 23.109 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 7.434 -14.028 24.055 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 2.276 -10.708 27.572 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 1.768 -10.372 26.827 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 1.615 -11.205 28.107 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 10.010 -11.743 24.836 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 9.105 -11.404 25.015 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 10.547 -11.395 25.572 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 -0.504 -14.336 21.683 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 -0.682 -14.754 22.556 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 -0.440 -15.094 21.065 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 -0.975 -15.387 24.154 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 -0.682 -14.610 24.688 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 -1.864 -15.596 24.509 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 2.232 -13.785 26.310 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 2.592 -14.602 25.899 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 2.980 -13.427 26.824 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 2.639 -15.863 19.997 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 1.741 -16.250 20.116 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.203 -16.623 19.816 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 18.123 -2.894 26.561 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 17.261 -2.820 26.991 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 18.749 -2.972 27.294 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 8.720 -7.130 18.394 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 8.636 -8.100 18.502 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 7.889 -6.783 18.725 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 8.684 -9.800 19.073 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 9.661 -9.780 19.156 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 8.363 -9.808 20.005 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 13.217 -10.151 21.043 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 12.712 -10.138 21.861 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 14.147 -10.261 21.339 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 -0.968 -10.897 25.001 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 -1.022 -11.073 24.046 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 -0.671 -11.747 25.384 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 7.319 -11.227 25.080 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 6.803 -10.568 24.573 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 6.978 -12.095 24.757 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 11.467 -9.730 18.986 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 12.115 -9.825 19.724 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 11.743 -10.396 18.343 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 2.023 -13.409 21.089 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 2.383 -14.284 20.841 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 1.107 -13.600 21.372 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 15.995 -5.282 16.493 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.219 -4.649 17.213 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 15.047 -5.501 16.651 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 17.741 -6.528 27.909 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 17.643 -6.303 26.957 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 16.819 -6.491 28.260 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 14.950 -14.690 33.594 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 15.721 -15.255 33.815 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 14.925 -14.699 32.615 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 14.855 -10.298 16.270 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.471 -10.195 17.021 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 15.348 -10.840 15.627 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 6.873 -12.010 27.725 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 7.816 -12.178 27.941 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 6.903 -11.635 26.823 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 8.238 -10.203 30.825 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 7.793 -11.077 30.706 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 7.513 -9.574 30.865 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.171 -12.650 27.944 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 3.652 -11.822 27.821 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.105 -12.366 27.850 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 5.172 -14.405 16.494 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 5.444 -15.227 16.947 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 4.289 -14.211 16.864 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 0.553 -17.605 24.260 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 0.428 -17.947 23.367 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 0.038 -16.763 24.269 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 0.003 -16.644 20.204 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 -0.063 -16.607 19.224 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 -0.779 -17.179 20.479 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 9.568 -12.343 28.181 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 10.326 -11.944 27.718 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 9.818 -12.314 29.121 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 3.514 -11.756 19.528 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 2.854 -12.319 19.987 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 3.629 -12.178 18.669 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 7.926 -9.657 21.713 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 8.532 -9.508 22.443 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 7.043 -9.664 22.135 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 15.307 -6.445 29.126 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 14.831 -5.801 29.656 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 14.833 -7.289 29.292 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 5.765 -9.547 23.481 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 5.199 -8.927 23.952 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 5.128 -10.136 23.000 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 16.056 -8.705 31.699 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 15.226 -8.755 31.177 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 16.739 -8.480 31.034 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 11.626 -10.860 26.969 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 12.495 -10.643 26.610 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 11.580 -10.351 27.810 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 11.459 -9.674 29.412 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 11.255 -10.436 29.999 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 10.730 -9.057 29.566 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 13.430 -6.130 16.455 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 13.608 -6.933 15.923 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 12.724 -6.415 17.089 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 16.465 -9.423 18.453 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 15.693 -9.066 18.909 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 16.984 -8.625 18.198 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 10.479 -13.967 32.630 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 9.639 -14.112 33.127 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 11.166 -14.158 33.279 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 6.305 -16.728 17.523 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 6.510 -17.304 16.781 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 7.129 -16.216 17.664 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 2.617 -14.269 17.733 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 2.712 -14.712 18.600 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 1.748 -14.557 17.417 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 10.443 -11.808 30.878 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 10.278 -12.579 31.469 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 9.654 -11.233 31.010 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 3.987 -11.064 22.145 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 3.971 -11.131 21.164 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 3.376 -11.752 22.436 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 2.731 -17.058 31.535 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 3.513 -16.779 31.012 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 2.015 -17.124 30.878 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 7.484 -13.400 15.285 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 6.589 -13.640 15.620 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 7.897 -12.928 16.031 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 12.872 -6.005 9.729 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 12.626 -5.692 10.627 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 13.084 -5.195 9.251 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 7.352 -12.745 30.495 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 6.955 -12.766 29.606 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 7.084 -13.592 30.898 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 5.013 -16.084 30.205 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 5.637 -15.736 30.884 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 5.600 -16.458 29.518 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 11.075 -16.117 35.639 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 12.024 -15.995 35.840 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 10.618 -15.813 36.446 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 14.038 -8.781 29.819 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 14.597 -9.415 29.313 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 13.121 -9.098 29.672 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 6.856 -15.152 31.925 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 6.284 -14.884 32.680 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 7.742 -15.209 32.314 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 5.497 -14.452 34.171 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 4.644 -14.218 33.735 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 5.281 -15.240 34.709 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 8.333 -14.416 34.202 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 8.307 -15.147 34.853 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 7.445 -14.015 34.264 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 3.268 -14.399 32.636 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 2.857 -15.275 32.547 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.143 -13.991 31.761 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 15.776 -9.253 34.391 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 14.886 -9.538 34.625 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 15.685 -8.896 33.482 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 17.714 -7.064 17.843 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 17.178 -6.429 17.326 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 18.058 -6.534 18.590 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 15.663 -10.429 22.235 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 16.443 -10.604 21.660 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 16.027 -10.408 23.125 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 16.086 -10.235 28.694 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 16.307 -11.182 28.720 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.899 -9.789 28.998 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 8.631 -12.468 17.923 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 8.394 -11.536 18.098 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 9.145 -12.735 18.717 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 10.006 -13.489 20.061 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 10.004 -14.437 20.302 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 10.221 -13.036 20.884 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 0.242 -12.117 28.771 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 0.376 -13.069 28.946 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 -0.651 -11.943 29.089 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 15.684 -12.060 31.214 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 16.032 -12.582 30.473 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 14.749 -12.341 31.281 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 16.596 -12.517 34.389 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.925 -13.079 33.957 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 16.769 -12.971 35.242 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 3.054 -14.288 29.791 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 3.399 -13.626 29.146 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 3.767 -14.962 29.843 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 -0.394 -13.398 25.898 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 0.571 -13.456 26.117 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 -0.842 -13.574 26.746 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 -2.081 -20.144 27.113 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 -2.830 -19.533 26.984 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 -2.489 -20.939 27.518 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 2.152 -16.848 15.521 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 2.739 -16.124 15.277 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 2.697 -17.651 15.395 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 11.550 -19.726 36.911 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 12.450 -19.730 36.510 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 11.578 -18.979 37.552 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 7.701 -16.492 35.884 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 6.746 -16.676 35.737 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 8.139 -17.355 35.736 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 5.030 -16.938 35.404 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 4.579 -17.172 36.225 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 4.613 -17.523 34.729 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 9.448 -15.898 37.897 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 8.774 -15.828 37.189 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 8.986 -16.390 38.612 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.456 -15.173 39.108 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 16.300 -14.450 39.724 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 17.400 -15.074 38.860 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 4.226 -21.533 38.436 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 4.184 -22.467 38.163 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 5.178 -21.333 38.447 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 18.413 -9.058 35.047 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 18.779 -9.810 35.545 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 17.439 -9.147 35.148 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 18.898 -14.172 38.158 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 18.302 -14.012 37.397 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 19.507 -13.392 38.154 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 13.890 -15.775 36.018 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 14.385 -16.613 35.848 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 14.148 -15.194 35.273 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 13.290 -18.960 40.240 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 13.906 -18.220 40.126 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 12.450 -18.625 39.870 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 2.231 -19.753 37.712 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 2.926 -20.359 38.053 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 1.492 -19.856 38.346 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 11.535 -17.580 38.583 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 10.815 -16.937 38.406 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 12.341 -17.023 38.658 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 3.492 -18.553 33.783 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 3.160 -18.090 32.984 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 2.706 -19.019 34.135 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 7.137 -21.177 38.118 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 8.100 -21.255 38.320 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 7.116 -20.825 37.204 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 17.333 1.086 -1.750 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 17.577 0.528 -2.519 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 16.359 1.013 -1.703 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 15.148 0.631 -4.496 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 15.978 0.188 -4.236 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 14.780 0.956 -3.653 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 17.602 -0.606 -3.921 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 17.526 -0.725 -4.892 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 18.115 -1.390 -3.628 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 11.831 -2.636 -10.042 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 12.521 -2.391 -9.381 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 11.364 -1.812 -10.210 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 13.197 -1.007 -0.894 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 13.483 -1.927 -1.017 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 13.256 -0.867 0.079 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 14.147 -0.804 10.094 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 13.916 0.073 10.476 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 13.979 -0.698 9.137 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 14.109 2.307 5.332 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 13.674 3.103 4.941 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 13.595 1.550 4.962 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 18.138 3.615 12.728 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 19.078 3.417 12.532 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 18.173 4.220 13.475 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 13.775 1.869 8.058 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 13.869 2.681 8.584 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 13.942 2.161 7.133 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.460 1.522 11.431 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 13.324 2.429 11.073 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 12.555 1.225 11.675 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 18.417 -2.991 0.088 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 18.385 -3.473 0.937 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 18.935 -2.182 0.293 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 18.175 4.867 3.921 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 17.957 5.286 3.055 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 18.355 5.631 4.516 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 18.603 7.135 5.400 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 19.077 7.926 5.123 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 18.152 7.397 6.207 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 17.477 5.902 1.491 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 17.214 6.739 1.098 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 17.209 5.230 0.829 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.203 4.527 4.054 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 13.560 4.388 3.147 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 12.960 5.456 4.071 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 14.547 1.180 -1.793 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 14.102 0.326 -1.576 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 14.063 1.833 -1.275 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 14.603 4.113 1.730 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 15.110 4.243 0.912 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 15.201 3.587 2.296 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 16.032 0.896 12.224 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 16.193 1.299 13.087 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 15.071 1.037 12.069 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 16.689 3.887 -0.205 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.442 3.485 -1.048 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.442 3.338 0.109 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 13.874 -0.833 7.372 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 13.935 0.143 7.462 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 12.952 -0.985 7.064 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 10.806 5.113 9.074 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 10.472 4.692 8.273 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 10.157 5.797 9.272 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 13.639 -0.774 1.812 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.104 -1.546 2.199 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 13.775 -0.070 2.458 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 23.557 -44.226 12.887 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 23.469 -43.814 13.776 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 23.303 -45.141 13.026 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 23.936 -45.771 18.199 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 24.365 -45.475 17.366 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 22.977 -45.772 17.987 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 19.158 -42.186 17.907 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 19.892 -42.219 18.546 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 18.783 -43.092 17.937 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 15.663 -46.945 11.844 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 14.755 -46.930 12.235 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 15.569 -46.468 11.012 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 24.831 -42.037 11.856 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 24.947 -42.182 10.916 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 24.434 -42.877 12.183 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 23.418 -43.060 15.369 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 23.092 -42.945 16.292 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 23.524 -42.140 15.036 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 21.121 -45.805 18.117 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 21.138 -46.408 18.883 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 20.280 -45.317 18.213 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 23.866 -40.704 14.064 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 24.453 -39.997 14.428 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 24.344 -41.027 13.267 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 25.121 -42.824 19.573 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 25.691 -43.619 19.579 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 25.220 -42.452 20.473 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 19.736 -49.205 19.514 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 20.399 -48.567 19.868 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 20.235 -50.015 19.386 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 25.496 -44.670 16.178 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 24.767 -44.107 15.843 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 26.301 -44.272 15.783 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 18.792 -39.591 12.192 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 19.742 -39.497 12.367 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 18.443 -38.678 12.264 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 26.302 -41.631 17.368 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 26.337 -40.669 17.561 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 25.822 -42.011 18.130 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 25.221 -38.599 15.076 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 24.840 -38.185 15.863 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 25.478 -37.837 14.507 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 24.276 -37.095 17.409 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 23.689 -36.444 16.948 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 23.850 -37.227 18.277 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 25.687 -36.274 13.791 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 25.012 -35.619 13.591 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 26.511 -35.886 13.426 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 21.349 -39.742 13.506 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 20.812 -40.508 13.741 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 22.274 -40.041 13.660 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 19.615 -44.077 33.376 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 20.207 -44.205 34.142 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 20.147 -43.535 32.745 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 17.274 -48.041 19.324 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 17.387 -47.663 18.428 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 18.107 -48.550 19.475 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 16.292 -50.722 22.206 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 16.878 -50.636 22.963 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 16.199 -51.671 22.083 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 27.933 -39.011 26.122 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 27.668 -38.552 26.940 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 28.478 -38.357 25.654 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 27.768 -42.654 26.541 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 27.126 -42.098 26.063 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 27.309 -42.890 27.368 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 15.057 -48.647 20.845 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 15.363 -49.395 21.399 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 15.815 -48.466 20.252 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 34.693 -46.478 16.920 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 34.649 -45.892 16.164 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 35.564 -46.873 16.867 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 24.020 -41.195 29.475 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 23.125 -41.017 29.877 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 24.573 -40.443 29.773 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 13.989 -44.125 20.345 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 14.008 -45.087 20.521 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 13.103 -43.845 20.665 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 28.462 -41.329 23.246 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 29.217 -41.723 23.734 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 27.734 -41.340 23.890 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 27.742 -46.838 20.698 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 28.691 -46.686 20.681 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 27.380 -46.181 20.063 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 23.722 -45.711 20.966 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 23.838 -45.672 19.993 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 24.321 -46.441 21.249 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 20.731 -43.110 25.383 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 20.722 -42.952 26.351 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 21.620 -42.862 25.111 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 21.116 -42.526 28.083 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 21.873 -43.132 28.214 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 21.141 -41.939 28.881 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 30.123 -42.353 25.161 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 29.314 -42.619 25.652 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 30.674 -41.935 25.825 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 23.696 -42.765 32.179 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 24.124 -42.772 31.308 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 22.728 -42.717 31.972 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 15.614 -45.426 22.807 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 14.717 -45.597 23.163 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 16.161 -45.306 23.591 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 19.208 -43.856 29.666 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 19.683 -43.419 28.936 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 19.684 -43.559 30.469 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 26.202 -39.008 18.038 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 27.008 -38.564 17.707 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 25.492 -38.363 17.872 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 28.971 -37.549 19.937 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 28.305 -36.860 20.136 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 28.828 -38.223 20.635 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 27.976 -38.990 22.031 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 27.010 -39.134 21.980 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 28.327 -39.844 22.382 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 18.626 -42.627 21.700 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 18.625 -43.254 22.445 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 17.673 -42.528 21.469 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 26.568 -43.398 28.976 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 27.331 -43.905 29.272 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 26.435 -42.729 29.687 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 19.376 -46.473 28.838 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 20.341 -46.543 28.948 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 19.169 -45.571 29.156 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 26.555 -45.173 18.866 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 25.687 -45.592 18.695 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 26.798 -44.784 18.010 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 17.187 -45.167 33.291 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 18.083 -44.748 33.297 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 17.322 -46.009 32.806 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 21.869 -48.273 31.054 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 21.890 -47.870 30.170 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 22.299 -47.609 31.625 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 26.482 -41.640 31.091 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 26.440 -40.765 30.663 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 26.280 -41.457 32.025 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 21.494 -47.375 20.439 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 20.902 -46.735 20.900 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 22.389 -47.090 20.696 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 19.140 -44.585 23.766 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 19.824 -44.104 24.289 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 19.644 -45.008 23.041 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 32.721 -39.780 32.578 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 32.710 -38.823 32.607 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 33.541 -40.023 33.009 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 19.967 -45.351 21.267 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 19.004 -45.417 21.071 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 20.256 -44.564 20.769 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 22.786 -42.936 18.035 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 23.572 -43.126 18.590 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 22.039 -43.292 18.548 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 26.361 -40.067 35.803 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 26.016 -40.328 34.924 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 26.283 -40.882 36.341 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 20.768 -42.913 20.098 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 21.515 -42.934 20.745 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 19.980 -42.675 20.650 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 22.340 -45.833 32.358 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 22.395 -44.885 32.543 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 21.815 -46.195 33.106 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 27.374 -42.916 15.267 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 27.052 -42.414 16.055 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 27.274 -42.297 14.538 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 19.777 -42.855 36.723 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 18.951 -43.300 36.403 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 20.501 -43.380 36.316 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 22.825 -43.201 21.816 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 23.650 -42.701 21.979 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 23.132 -44.116 21.626 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 22.045 -45.932 29.556 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.605 -45.241 29.151 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 22.122 -45.766 30.518 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 25.334 -47.845 21.452 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 26.229 -47.510 21.214 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 25.481 -48.765 21.684 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 23.628 -43.749 28.662 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 24.530 -44.051 28.466 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 23.747 -42.806 28.919 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 18.013 -49.912 37.736 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 17.166 -49.836 37.241 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 17.855 -50.617 38.365 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 15.907 -42.378 21.340 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 15.317 -41.609 21.164 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 15.395 -43.149 21.023 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 19.592 -48.695 32.419 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 20.387 -48.573 31.846 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 19.596 -49.635 32.629 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 14.097 -48.303 28.974 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 15.034 -48.195 28.729 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 13.966 -47.650 29.695 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 25.655 -33.357 26.405 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 25.917 -32.493 26.776 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 25.220 -33.817 27.152 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 24.941 -37.993 32.527 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 24.205 -37.924 33.182 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 25.681 -37.541 32.959 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 26.277 -40.807 24.980 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 26.932 -40.165 25.356 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 25.420 -40.344 25.068 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 25.681 -39.088 30.134 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 25.449 -38.593 30.952 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 26.160 -38.440 29.591 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.279 -44.534 41.255 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.604 -45.343 41.694 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 18.822 -44.471 40.441 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 22.685 -43.227 39.548 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 22.853 -42.546 40.229 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 22.860 -42.763 38.696 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 20.890 -47.917 40.844 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 21.079 -48.742 41.295 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 20.386 -47.392 41.502 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 19.033 -42.552 43.130 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 18.600 -43.071 42.418 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 19.240 -41.692 42.711 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 23.387 -38.616 42.091 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 23.068 -39.512 41.841 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 24.263 -38.543 41.637 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 21.356 -46.784 38.434 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 20.865 -45.952 38.588 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 21.297 -47.258 39.295 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 20.867 -44.453 43.798 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 21.609 -43.961 44.178 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 20.197 -43.762 43.608 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 25.555 -38.369 40.576 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 26.178 -38.906 40.033 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 25.916 -37.453 40.522 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 19.730 -48.068 36.629 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 20.348 -47.728 37.314 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 19.251 -48.801 37.080 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 25.836 -44.843 36.326 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 25.074 -45.047 36.926 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 26.405 -45.615 36.400 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 19.527 -46.571 42.818 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 19.157 -46.906 43.640 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 20.129 -45.840 43.107 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 22.517 -41.153 41.514 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 22.091 -41.632 42.238 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 21.767 -40.890 40.924 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 17.255 -46.779 36.491 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 18.113 -47.226 36.341 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 17.355 -46.359 37.352 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 23.775 -45.363 37.990 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 23.042 -46.010 37.979 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 23.487 -44.692 38.638 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.908 -39.705 46.065 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 26.709 -39.308 46.415 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 25.250 -38.977 46.083 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 18.400 -40.745 48.120 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 18.751 -40.943 47.223 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 18.574 -41.548 48.624 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 23.866 -43.605 34.817 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 24.704 -44.020 35.111 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 24.030 -43.363 33.880 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 23.242 -42.194 37.096 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 23.335 -42.662 36.238 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 23.135 -41.247 36.843 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.202 -44.310 39.119 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.977 -43.748 38.352 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 21.077 -43.969 39.415 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 22.997 -39.607 36.476 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 23.335 -39.110 37.255 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 23.113 -38.980 35.728 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 23.826 -37.944 38.449 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 23.077 -37.373 38.719 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 24.324 -38.097 39.280 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 14.729 -47.198 35.610 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 14.797 -47.413 34.646 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 15.644 -46.917 35.857 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 25.125 -40.673 33.389 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 24.464 -41.290 33.013 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.878 -39.804 33.023 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 21.407 -44.568 35.389 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 21.377 -45.535 35.225 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 22.345 -44.322 35.221 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 25.952 -42.241 37.436 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 26.168 -43.137 37.113 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.974 -42.242 37.502 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 20.809 -47.078 34.344 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 20.285 -47.550 33.664 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 20.488 -47.457 35.195 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 25.533 -37.514 36.328 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 25.945 -38.396 36.189 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 25.094 -37.589 37.200 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 17.621 -38.629 43.233 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 16.853 -38.284 43.698 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 17.439 -38.421 42.280 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.899 -42.051 45.128 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 25.582 -42.272 44.491 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 25.222 -41.221 45.549 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 18.043 -35.649 49.100 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 18.303 -36.541 48.777 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 17.061 -35.709 49.210 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 19.401 -35.619 46.193 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 20.175 -35.029 46.312 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 19.792 -36.499 46.042 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 24.093 -37.621 46.160 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 24.063 -36.807 45.611 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 23.863 -37.303 47.067 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 20.110 -38.438 45.767 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 19.704 -39.325 45.691 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 21.015 -38.561 45.409 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 19.931 -39.921 42.789 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 20.586 -39.529 43.382 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 19.092 -39.447 43.008 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 22.217 -41.875 44.740 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 22.274 -40.902 44.660 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 23.141 -42.148 44.946 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 26.900 -39.867 38.702 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 26.600 -40.784 38.563 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.220 -39.591 37.833 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 17.158 -30.182 11.949 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 18.056 -29.914 12.221 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 16.702 -30.370 12.790 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 16.743 -21.736 7.578 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 16.328 -21.835 8.456 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 16.115 -22.167 6.968 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 20.600 -25.496 9.481 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 20.270 -25.352 10.401 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 20.340 -26.399 9.276 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.877 -25.057 12.038 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 19.629 -25.621 12.814 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 20.466 -24.382 12.418 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.770 -35.315 15.959 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.609 -34.439 15.553 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 22.404 -35.953 15.307 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 16.477 -26.202 12.253 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 17.248 -25.733 11.902 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 16.847 -26.761 12.982 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 23.095 -23.367 11.042 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 22.586 -23.430 11.878 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 23.065 -24.261 10.679 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 20.127 -21.438 11.923 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 20.623 -22.024 12.526 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.752 -21.257 11.200 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 16.161 -29.977 14.480 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 16.651 -29.112 14.526 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 15.280 -29.765 14.790 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 20.210 -24.018 15.525 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 20.773 -24.313 16.275 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 19.873 -24.860 15.130 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.039 -19.015 6.448 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 19.774 -19.514 7.247 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 19.752 -19.587 5.707 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 23.518 -31.267 13.254 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 23.015 -31.873 13.841 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 22.890 -31.072 12.521 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 19.531 -34.375 16.077 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.265 -34.918 16.393 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 19.359 -34.712 15.174 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 21.699 -24.819 17.661 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 22.573 -24.439 17.903 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 21.893 -25.775 17.517 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 20.644 -22.972 8.462 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 20.802 -23.158 7.529 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 20.621 -23.865 8.883 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 22.816 -30.056 17.449 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 23.448 -30.050 16.696 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 22.582 -31.002 17.554 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.127 -24.935 15.886 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.238 -25.909 15.901 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 24.846 -24.714 16.798 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 25.267 -30.071 4.283 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 25.124 -30.885 3.800 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 26.158 -29.808 4.050 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 24.883 -21.547 12.130 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 24.450 -22.222 11.576 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.792 -21.898 13.039 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.225 -18.583 9.764 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 24.058 -18.729 10.276 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.845 -19.486 9.666 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.563 -35.511 13.538 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 18.936 -36.089 13.052 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 20.348 -36.082 13.685 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.728 -20.750 4.719 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.025 -21.050 5.308 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 18.257 -20.346 3.971 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 27.218 -20.575 18.521 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 27.756 -21.401 18.549 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 26.280 -20.895 18.622 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 19.402 -29.143 13.155 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 20.276 -28.758 13.296 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 18.781 -28.475 13.549 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 21.977 -32.847 14.916 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 21.242 -32.892 14.264 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 21.549 -32.560 15.738 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 23.547 -29.966 20.114 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 23.199 -29.836 19.208 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 24.042 -30.811 20.056 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.069 -33.147 16.019 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 25.495 -33.953 16.353 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 24.207 -33.127 16.476 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 25.745 -32.894 13.367 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.081 -32.253 13.047 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 25.533 -33.000 14.318 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 18.393 -31.330 14.633 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 18.917 -30.560 14.347 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 17.467 -31.001 14.627 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 21.499 -37.193 14.452 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 21.538 -38.065 13.995 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 20.924 -37.357 15.229 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 27.627 -34.679 12.652 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 28.064 -34.382 11.852 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 27.023 -33.937 12.888 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.699 -30.267 15.504 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.313 -30.412 14.611 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.124 -31.118 15.717 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 26.537 -35.491 17.426 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 25.734 -36.044 17.322 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 27.276 -36.095 17.181 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 24.689 -34.663 21.346 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 24.958 -34.300 22.219 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.000 -35.329 21.569 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 17.049 -14.361 3.794 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 16.706 -14.933 3.079 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 17.004 -14.927 4.594 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 17.078 -15.863 6.152 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 16.726 -15.977 7.056 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 18.004 -16.202 6.211 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 15.333 -28.415 10.983 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 15.699 -27.560 11.273 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 16.014 -29.071 11.257 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.360 -31.011 11.633 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 20.884 -31.776 12.023 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 20.661 -30.386 11.417 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 19.948 -32.883 13.067 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 19.246 -32.467 13.621 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 19.721 -33.841 13.071 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 25.387 -19.037 11.293 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 26.073 -18.719 11.888 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 25.248 -19.977 11.567 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 23.755 -20.916 16.411 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 24.252 -21.204 17.215 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 23.002 -20.415 16.770 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 21.652 -23.269 13.388 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 21.092 -23.474 14.175 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 22.550 -23.110 13.772 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 19.093 -20.685 8.402 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 18.229 -20.995 8.049 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 19.615 -21.505 8.505 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 22.074 -21.092 9.892 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 22.651 -21.773 10.300 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 21.550 -21.594 9.232 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 28.444 -37.486 17.293 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 28.761 -37.544 18.228 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 29.156 -37.880 16.776 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.330 -26.733 23.884 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 25.425 -26.562 23.537 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.921 -26.452 23.156 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 25.715 -26.122 26.539 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 26.391 -26.556 27.108 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 26.068 -26.225 25.628 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 30.525 -20.862 22.333 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 30.806 -21.138 23.213 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 30.284 -19.916 22.446 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 24.604 -24.481 31.569 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 24.173 -25.128 30.986 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.800 -24.988 32.386 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 27.250 -36.914 27.788 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 27.800 -36.516 27.088 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 26.333 -36.762 27.487 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 25.176 -24.580 21.254 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.403 -23.663 21.491 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 26.008 -25.072 21.395 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 20.547 -24.037 32.642 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 20.180 -24.361 33.481 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 21.033 -24.809 32.284 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 21.607 -26.480 31.919 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 20.886 -27.076 31.618 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 22.072 -26.223 31.085 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 27.677 -25.655 21.508 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 28.296 -24.904 21.613 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 27.677 -25.833 20.539 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.087 -32.962 18.486 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 26.970 -33.819 18.031 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 27.929 -32.633 18.159 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.922 -24.302 27.698 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.553 -24.897 27.236 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.461 -23.520 27.934 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 23.918 -21.994 30.718 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 23.087 -21.775 31.182 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.190 -22.858 31.109 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 28.820 -23.053 21.599 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 27.902 -22.732 21.752 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 29.383 -22.306 21.877 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 20.729 -25.938 34.898 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 20.167 -26.727 34.738 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 21.464 -26.044 34.277 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 31.315 -21.117 19.697 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 32.266 -21.276 19.685 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 31.096 -21.032 20.652 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 29.070 -22.530 18.915 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.957 -22.128 18.988 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.943 -22.981 19.773 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 19.712 -28.426 31.335 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 19.401 -28.217 30.425 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 19.083 -29.129 31.645 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 24.637 -36.865 26.885 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 24.356 -37.778 26.714 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 24.853 -36.515 25.988 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 26.890 -35.806 20.255 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 26.828 -35.643 19.296 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 26.081 -35.385 20.621 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.179 -29.229 24.981 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 24.695 -29.388 24.141 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.726 -28.440 24.791 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 25.497 -29.834 33.602 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 25.709 -29.320 34.404 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 24.898 -29.254 33.101 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 22.834 -29.753 26.378 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 22.174 -30.030 25.707 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 23.674 -29.704 25.877 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 27.242 -27.504 28.395 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 27.997 -27.258 28.937 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 26.616 -27.920 29.031 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 25.450 -36.306 24.378 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.319 -36.438 23.953 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 25.187 -35.409 24.102 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 22.396 -29.989 29.095 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 22.440 -29.774 28.142 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.171 -30.576 29.240 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.054 -25.983 29.713 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 23.214 -25.213 29.126 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 23.300 -26.755 29.158 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.050 -26.828 20.038 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.298 -26.156 20.712 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.229 -27.674 20.470 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.710 -32.460 19.723 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 25.608 -32.531 19.318 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 24.660 -33.234 20.329 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 24.864 -26.322 33.631 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 25.166 -26.727 34.466 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.503 -27.066 33.124 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 22.703 -27.322 17.670 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 22.562 -28.293 17.631 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 23.148 -27.176 18.536 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 25.307 -28.588 30.019 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 24.749 -28.553 30.817 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 24.687 -28.394 29.286 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 21.957 -22.817 26.518 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 21.101 -23.108 26.843 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 22.591 -23.467 26.895 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 23.712 -26.752 23.097 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.552 -27.710 22.978 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 22.883 -26.417 23.462 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.276 -21.964 28.415 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 24.731 -21.856 29.238 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 26.174 -22.077 28.744 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 26.281 -22.088 21.855 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 25.799 -21.545 21.199 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 25.923 -21.791 22.716 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 24.278 -24.447 18.448 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 24.442 -25.183 19.071 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 24.629 -23.664 18.907 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 13.716 -29.487 31.222 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 13.610 -30.017 30.430 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 14.444 -28.865 30.997 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 24.420 -31.824 29.167 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 25.064 -31.407 28.556 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.389 -32.763 28.878 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 25.284 -33.570 23.767 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 25.467 -33.605 24.740 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 25.217 -32.629 23.578 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 26.095 -30.745 27.234 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 26.736 -30.149 27.646 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 25.826 -30.278 26.416 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 24.362 -34.509 28.546 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 24.120 -34.689 29.479 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 24.328 -35.388 28.113 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 25.189 -38.894 22.070 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.987 -38.242 22.760 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 24.752 -38.536 21.268 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 20.941 -24.569 37.285 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 21.779 -24.964 37.537 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 20.737 -24.974 36.415 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 27.348 -25.787 18.745 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 26.898 -26.410 18.155 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 27.531 -25.021 18.186 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 23.549 -28.415 32.254 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 23.015 -29.219 32.447 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.879 -27.708 32.141 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.151 -27.623 16.409 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.246 -27.487 16.748 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 25.133 -28.526 16.035 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.429 -29.458 22.791 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 22.643 -29.912 23.152 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 23.426 -29.695 21.831 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 22.753 -32.802 17.858 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 22.267 -33.611 18.111 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 23.432 -32.702 18.563 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 25.585 -27.981 35.796 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 26.366 -27.728 36.301 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 24.953 -28.309 36.480 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 23.929 -27.720 27.832 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 23.527 -28.371 27.224 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 24.487 -27.158 27.249 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 22.328 -35.357 33.614 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 21.582 -34.719 33.586 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 22.077 -36.050 32.957 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.653 -34.387 31.289 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 24.021 -33.502 31.504 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 23.314 -34.715 32.143 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 23.408 -37.619 34.687 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.955 -36.768 34.492 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 24.151 -37.365 35.285 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 17.713 -26.004 33.148 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 17.163 -25.778 33.902 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.204 -26.797 33.438 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 18.343 -24.533 30.899 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 17.944 -25.098 31.590 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 19.105 -24.130 31.339 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 19.308 -28.106 34.008 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 19.119 -29.005 34.317 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 19.602 -28.229 33.081 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 23.791 -20.795 26.407 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 23.030 -21.420 26.341 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 24.363 -21.191 27.102 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 25.117 -41.661 22.186 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.115 -40.686 22.070 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.621 -41.798 23.003 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 28.890 -36.409 25.354 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 29.695 -35.889 25.277 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.468 -36.331 24.469 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 27.735 -36.420 22.861 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 27.516 -35.999 22.006 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 27.911 -37.360 22.625 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 22.428 -31.349 45.660 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 22.944 -30.946 46.403 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 21.904 -30.616 45.313 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 23.410 -30.726 51.858 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 23.159 -30.968 52.758 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 22.656 -31.040 51.307 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 18.524 -22.621 41.840 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 18.364 -21.909 41.195 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.129 -23.229 41.370 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 22.452 -39.112 44.568 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 23.062 -38.702 45.225 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 22.863 -38.896 43.698 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 19.310 -26.845 45.870 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 18.880 -27.207 46.674 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.147 -25.886 45.929 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 21.667 -33.938 46.335 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 21.984 -33.896 47.258 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 21.799 -33.023 45.998 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 19.263 -30.430 52.076 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 19.710 -30.951 52.784 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 18.342 -30.724 52.112 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 19.123 -28.744 43.976 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 19.435 -28.004 44.545 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 18.171 -28.844 44.223 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 15.200 -27.360 47.929 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 15.107 -27.083 47.006 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 14.738 -28.226 47.966 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 17.949 -27.549 48.155 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 16.982 -27.412 48.245 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 18.260 -27.691 49.080 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.294 -32.840 48.163 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.618 -32.502 49.032 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.585 -33.462 48.400 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 20.984 -31.738 35.208 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 20.069 -31.651 34.854 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.963 -32.569 35.718 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 21.238 -31.872 41.146 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 22.085 -32.331 41.342 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 21.463 -31.264 40.430 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 20.051 -33.876 33.151 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 19.462 -34.566 33.494 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 19.619 -33.035 33.428 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 24.335 -32.763 44.192 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 25.200 -32.587 44.636 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 23.705 -32.169 44.654 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.816 -30.928 39.729 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 23.567 -31.441 38.927 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.978 -31.610 40.407 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 22.164 -30.753 32.893 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 21.805 -31.049 33.762 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 22.975 -31.297 32.771 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.502 -32.375 45.774 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 27.387 -32.074 45.994 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.108 -32.620 46.642 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 19.804 -33.529 48.968 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 19.281 -33.057 48.299 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 19.272 -34.334 49.160 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 18.846 -28.023 50.689 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 19.028 -28.894 51.096 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 19.162 -27.390 51.337 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 15.830 -30.934 49.507 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 16.489 -30.728 48.806 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 15.098 -30.327 49.324 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 17.236 -23.903 43.856 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 17.616 -23.376 43.110 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 17.962 -23.953 44.505 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.580 -33.732 48.988 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 21.635 -33.968 49.106 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 22.686 -32.926 49.523 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 25.963 -35.722 40.263 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 26.221 -35.162 39.524 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 25.322 -35.190 40.753 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 23.643 -33.115 41.562 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 23.491 -34.086 41.589 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 24.018 -32.909 42.448 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 23.950 -30.424 47.700 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.185 -29.801 48.416 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.536 -31.189 47.846 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 23.377 -35.790 42.114 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 23.341 -36.756 41.968 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 23.424 -35.699 43.089 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.896 -23.668 39.682 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 19.564 -22.781 39.454 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 20.255 -24.013 38.840 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 18.653 -21.168 39.376 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 18.982 -20.339 38.997 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 17.875 -21.395 38.818 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 23.987 -28.886 37.820 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 24.163 -29.429 38.616 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 23.069 -29.080 37.605 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 20.522 -32.147 53.816 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 20.572 -33.072 53.476 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 20.547 -32.248 54.772 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 22.925 -32.152 37.457 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 22.805 -31.768 36.577 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 22.331 -32.932 37.457 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.595 -28.962 49.998 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.121 -29.367 50.753 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 24.455 -28.016 50.109 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.494 -31.880 31.978 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.089 -31.308 32.513 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.720 -31.663 31.050 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.699 -31.469 50.454 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.786 -30.531 50.208 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 25.003 -31.469 51.134 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 21.222 -31.669 50.538 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 20.698 -32.283 49.985 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 20.547 -31.135 51.004 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 27.881 -23.889 48.080 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 28.829 -23.754 48.064 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 27.550 -23.357 47.356 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.634 -34.846 53.369 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.191 -35.579 53.645 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 19.991 -35.257 52.745 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 23.233 -36.427 48.432 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 23.209 -35.497 48.710 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 22.541 -36.857 48.984 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 19.065 -36.222 51.636 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 18.654 -35.884 50.815 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 18.402 -36.862 51.988 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 16.182 -26.311 42.899 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 16.992 -26.837 42.934 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 16.488 -25.389 43.049 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 18.334 -24.326 46.470 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 18.557 -24.003 47.348 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 17.367 -24.463 46.501 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 17.339 -33.480 47.065 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 16.443 -33.299 47.416 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 17.593 -34.319 47.485 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 19.057 -38.074 48.240 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 18.779 -39.003 48.384 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 19.470 -38.086 47.351 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 23.546 -35.283 44.831 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.817 -34.979 45.411 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 24.031 -34.457 44.611 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 16.531 -21.821 37.778 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 16.381 -22.702 37.420 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 15.647 -21.549 38.122 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 20.976 -34.066 37.090 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 20.167 -33.922 37.631 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.237 -34.976 37.292 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 21.034 -37.117 49.912 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 20.374 -37.523 49.316 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.506 -36.811 50.675 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 21.578 -21.512 32.212 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 21.682 -21.334 33.153 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 21.173 -22.407 32.182 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 17.619 -6.599 -7.696 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 18.196 -7.376 -7.883 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 17.079 -6.505 -8.519 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 15.703 -13.318 -14.672 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 16.098 -12.501 -14.298 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 15.999 -13.328 -15.589 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 16.197 -11.077 -13.219 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 15.245 -11.172 -13.017 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 16.629 -11.047 -12.335 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 16.213 -13.777 -7.332 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 15.401 -14.322 -7.251 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 16.363 -13.718 -8.300 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 21.456 -11.001 -6.806 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 21.273 -10.074 -6.533 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.073 -10.914 -7.549 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 18.951 -11.602 -8.608 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 18.412 -11.499 -7.788 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 19.421 -12.440 -8.474 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 24.604 -5.321 -7.738 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 24.745 -5.882 -8.506 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 23.822 -5.714 -7.293 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 19.181 -8.760 -11.239 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 18.836 -8.007 -11.776 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 19.895 -9.136 -11.791 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 17.533 -10.912 -10.830 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 17.948 -11.177 -9.981 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 17.954 -10.048 -11.039 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.385 -11.999 -9.117 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 22.548 -11.887 -9.628 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.067 -11.675 -9.713 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 22.433 -6.398 -6.446 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 21.873 -7.200 -6.387 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 21.793 -5.655 -6.388 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.799 -8.487 -5.638 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 19.945 -8.150 -5.960 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 20.758 -8.354 -4.676 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 20.178 -6.950 -3.016 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.679 -6.736 -3.840 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 20.189 -6.109 -2.520 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 16.232 -6.258 -9.943 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 16.304 -5.982 -10.876 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 15.271 -6.216 -9.753 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.739 -6.950 -4.039 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 24.002 -6.012 -3.906 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 23.331 -6.955 -4.930 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 19.884 -13.161 -6.042 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 19.013 -12.724 -6.024 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 20.494 -12.458 -6.343 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.454 -14.504 -4.940 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 24.269 -14.841 -4.555 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 23.677 -14.371 -5.894 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 18.942 -12.887 -3.165 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 19.627 -12.263 -3.448 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 19.432 -13.714 -3.003 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 15.909 -14.818 -12.347 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 15.739 -14.326 -13.177 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 16.093 -15.714 -12.639 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.157 -11.357 -10.490 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.292 -11.277 -10.061 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.012 -11.004 -11.393 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 25.737 -8.593 -2.942 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.237 -8.131 -3.642 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 25.369 -9.502 -2.947 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 19.047 -8.762 -8.495 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 19.129 -8.623 -9.465 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 19.188 -9.716 -8.381 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 22.766 -8.900 -2.054 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.235 -9.715 -2.319 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.751 -8.361 -2.861 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 30.566 -4.242 -6.868 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 30.912 -3.939 -7.714 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 31.314 -4.674 -6.444 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.972 -3.858 -5.898 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 26.013 -3.009 -6.351 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.505 -4.449 -6.538 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 17.524 -11.689 -6.258 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 17.184 -11.430 -5.372 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 16.869 -12.351 -6.583 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.088 -1.799 -13.967 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 18.927 -0.876 -14.194 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.604 -2.138 -14.707 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 18.331 -6.840 -12.968 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 18.486 -6.712 -13.907 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 17.553 -6.274 -12.773 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 18.931 -6.297 -5.326 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 19.483 -5.563 -5.670 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 18.229 -6.405 -6.003 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 29.688 -6.183 -3.237 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 28.954 -6.581 -2.723 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 29.239 -5.793 -4.031 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 28.436 -5.024 -5.285 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 27.569 -4.643 -5.525 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 29.052 -4.668 -5.960 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 22.353 -11.999 -4.427 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 22.608 -12.933 -4.573 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 22.024 -11.700 -5.299 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 27.915 -7.504 -1.651 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 27.141 -7.813 -2.173 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.396 -8.332 -1.428 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 20.902 -14.760 -3.945 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.811 -14.927 -4.272 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.447 -14.357 -4.712 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 24.207 -14.067 -7.490 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 24.666 -14.589 -8.153 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 23.849 -13.301 -7.991 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 30.847 -8.678 -3.049 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 31.300 -8.853 -3.879 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 30.536 -7.751 -3.135 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.604 -14.292 -1.321 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.010 -14.872 -0.803 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.396 -14.509 -2.254 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 26.605 -12.322 -1.757 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 25.811 -12.732 -1.365 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 26.262 -11.824 -2.515 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 19.968 -15.790 0.406 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 19.467 -16.616 0.583 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.553 -15.694 1.194 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 16.303 -5.083 -12.442 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 16.878 -4.302 -12.293 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 15.396 -4.740 -12.315 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 16.998 -14.452 -4.592 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 17.120 -14.236 -5.534 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 17.675 -13.920 -4.133 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 16.443 -13.386 -10.082 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 16.259 -13.975 -10.851 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 16.884 -12.611 -10.477 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 20.661 -4.308 -6.078 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 21.057 -3.929 -5.259 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 20.342 -3.537 -6.566 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 24.290 -4.280 -3.698 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 24.660 -3.859 -2.889 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 24.946 -4.069 -4.401 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 18.899 -2.994 -3.511 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 18.729 -3.835 -3.067 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 19.856 -3.013 -3.700 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 18.064 -3.036 -11.756 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 18.885 -3.282 -11.315 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 18.360 -2.559 -12.568 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 28.423 -5.893 3.130 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 28.782 -5.901 2.224 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 27.969 -5.031 3.198 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 25.925 -9.715 11.716 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 26.775 -10.190 11.885 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 25.793 -9.799 10.752 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 21.099 -7.428 8.247 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 20.752 -6.648 8.729 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 21.903 -7.683 8.748 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 24.310 -7.336 12.069 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 25.019 -7.982 12.243 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 23.832 -7.709 11.303 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.912 -13.013 6.612 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.897 -12.824 7.577 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 24.867 -12.927 6.366 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.959 -3.560 2.660 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.965 -3.588 1.683 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 27.074 -2.610 2.874 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 25.026 -10.140 9.070 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 25.553 -10.230 8.266 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 24.578 -11.012 9.164 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 20.431 -7.918 13.100 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 21.015 -7.137 13.176 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.100 -8.060 14.017 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.072 -17.018 7.669 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 23.614 -17.607 8.311 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.965 -16.935 8.023 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 27.282 -4.109 -0.039 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 27.936 -4.833 0.066 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 27.828 -3.296 -0.062 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.905 -9.167 2.280 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.016 -10.112 2.063 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 26.812 -8.804 2.223 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 24.309 -10.997 -2.898 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.187 -11.637 -2.155 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 23.670 -11.310 -3.585 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 28.501 -8.195 4.669 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 28.427 -7.407 4.086 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 29.358 -8.096 5.090 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.321 -11.531 4.908 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.837 -10.779 4.533 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.941 -11.958 5.533 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 24.315 -5.377 8.497 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 24.305 -6.012 9.222 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 23.573 -4.771 8.697 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 22.380 -5.897 13.339 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 22.565 -6.144 14.272 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.097 -6.346 12.829 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 28.539 -8.693 1.450 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 28.730 -7.740 1.390 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 28.802 -9.045 0.571 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 27.308 -0.363 5.772 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 27.683 -0.281 6.654 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.699 -1.144 5.840 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 21.056 -3.973 11.842 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 21.487 -4.579 12.486 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 20.617 -3.298 12.403 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 27.414 -0.819 3.032 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 26.802 -0.065 2.952 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 27.649 -0.829 3.982 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 28.402 -1.675 0.632 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 29.315 -2.012 0.798 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 28.142 -1.270 1.490 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 30.746 -2.794 1.442 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 31.365 -2.535 2.131 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 31.073 -3.668 1.143 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 24.100 -22.804 14.466 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 24.542 -23.579 14.890 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 24.041 -22.138 15.187 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 29.422 -9.637 -0.952 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 30.062 -9.472 -1.686 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 29.373 -10.614 -0.889 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 28.857 -12.258 -0.271 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 28.038 -12.242 -0.832 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 29.186 -13.159 -0.364 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 27.934 -10.906 4.361 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 28.762 -11.034 3.847 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 27.918 -9.940 4.545 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 28.280 -13.918 12.604 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 27.473 -14.127 13.125 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 28.805 -14.721 12.651 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 21.050 -12.146 9.975 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.094 -12.225 9.831 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 21.135 -11.427 10.635 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 23.926 -12.846 -0.968 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 24.085 -12.968 -0.007 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.117 -13.384 -1.147 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 17.815 -14.088 0.570 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 18.597 -14.643 0.365 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 17.196 -14.705 1.016 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 26.447 -12.775 5.710 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 26.903 -12.005 5.299 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 27.034 -13.516 5.531 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 19.052 -7.927 15.488 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 18.780 -7.919 16.423 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.751 -7.057 15.147 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 28.205 -11.244 11.993 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 28.158 -12.211 12.175 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 29.146 -11.052 11.996 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 23.643 -14.493 3.942 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 23.721 -13.930 4.730 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 24.013 -15.363 4.232 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 23.749 -12.524 9.379 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.138 -12.883 10.206 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.780 -12.496 9.562 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.788 -11.021 12.795 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 23.989 -11.947 12.540 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 24.577 -10.515 12.491 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 31.714 -5.169 0.414 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 31.588 -4.805 -0.499 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 32.604 -5.538 0.400 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 17.723 -15.882 13.479 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 17.278 -16.698 13.837 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 17.675 -15.253 14.202 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 29.106 -6.117 0.461 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 30.063 -5.905 0.367 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 28.875 -6.573 -0.378 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 19.376 -9.025 9.820 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 19.933 -8.514 9.197 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 20.017 -9.465 10.404 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 25.553 -16.921 15.117 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 24.762 -17.484 15.010 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 26.143 -17.443 15.704 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 26.851 -11.792 1.912 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 27.261 -11.580 2.776 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 27.607 -11.878 1.304 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 24.616 -13.527 11.888 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.269 -13.659 12.615 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 24.180 -14.381 11.812 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 24.420 -13.008 1.707 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 24.390 -13.664 2.430 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 25.307 -12.589 1.799 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 25.022 -3.174 -1.272 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 25.284 -2.239 -1.157 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.750 -3.676 -0.845 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 31.149 -4.256 -2.028 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 30.702 -4.974 -2.531 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 30.925 -3.456 -2.512 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 15.105 -5.693 13.658 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 15.003 -5.111 14.425 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 14.736 -6.546 13.959 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 23.624 -3.630 14.961 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.256 -2.924 14.800 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 23.460 -4.011 14.087 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.423 -10.033 11.689 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 21.053 -9.340 12.289 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.170 -10.422 12.204 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 23.711 -9.376 3.960 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 24.505 -9.293 3.384 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 23.661 -8.525 4.416 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 22.162 -15.181 6.907 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 22.696 -14.369 6.828 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 22.801 -15.856 7.215 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 22.998 -8.508 9.980 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 22.489 -9.123 10.548 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 23.702 -9.070 9.585 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.436 -12.644 16.153 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.142 -12.006 16.020 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 26.424 -12.788 17.125 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 23.209 -18.533 14.962 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 23.600 -19.420 15.049 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 22.634 -18.453 15.742 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 26.027 -14.429 14.062 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 25.848 -15.316 14.462 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 26.094 -13.826 14.838 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 27.942 -15.308 19.581 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 28.731 -15.872 19.725 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 27.317 -15.890 19.127 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.997 -5.128 3.616 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 25.270 -5.333 4.538 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 25.709 -4.529 3.287 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 19.714 -16.330 6.467 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 19.874 -17.304 6.445 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 20.604 -15.947 6.632 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 18.020 -5.581 14.614 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 17.163 -5.469 15.081 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 17.871 -5.170 13.736 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 22.122 -3.837 9.141 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 21.345 -4.423 9.085 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 22.078 -3.477 10.046 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 17.987 -4.242 12.174 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 17.982 -4.076 11.222 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 18.470 -3.469 12.547 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 19.934 -5.385 9.761 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 20.272 -5.058 10.627 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 19.270 -4.714 9.497 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 22.999 -3.353 4.300 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 23.726 -3.994 4.179 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 23.090 -3.058 5.230 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.635 -7.081 5.318 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 21.230 -7.869 4.936 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 21.495 -7.180 6.279 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 25.768 -5.190 6.218 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 26.496 -5.795 6.404 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 25.188 -5.259 7.018 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 16.205 -15.986 1.711 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 15.231 -16.085 1.585 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 16.548 -16.887 1.628 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 24.467 -16.896 4.911 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 24.402 -17.810 4.616 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 24.295 -16.942 5.874 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 21.340 -15.523 2.755 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 20.938 -16.010 3.486 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 22.207 -15.238 3.106 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 29.729 -11.025 2.322 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 29.416 -10.123 2.103 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 29.907 -11.430 1.462 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 26.268 -0.748 -0.790 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 27.017 -1.074 -0.240 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 26.689 -0.175 -1.440 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 27.277 -18.395 16.735 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 28.231 -18.294 16.836 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 27.070 -19.206 17.235 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 24.715 -10.894 26.081 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 25.362 -11.036 26.802 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 23.976 -10.431 26.514 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 23.127 -9.620 28.033 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 22.497 -8.885 27.903 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 23.940 -9.183 28.361 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.819 -7.980 27.630 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 20.569 -8.932 27.679 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 20.380 -7.663 26.831 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 25.487 -8.318 28.855 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 26.285 -7.984 28.432 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 24.853 -7.564 28.806 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 29.119 -14.204 26.299 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 29.252 -13.428 25.741 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 29.536 -14.935 25.795 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.510 -15.813 24.433 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 30.461 -15.369 23.558 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 31.450 -15.822 24.641 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 29.866 -18.195 22.905 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 28.961 -18.506 23.143 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 30.040 -17.472 23.537 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 17.268 -3.871 18.420 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 17.974 -3.720 17.755 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 17.719 -4.352 19.140 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.102 -20.756 23.965 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 24.703 -20.823 24.862 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 24.359 -20.517 23.393 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 24.975 -14.085 20.670 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 24.282 -14.558 20.154 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 25.447 -13.557 20.001 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 26.867 -12.856 18.871 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 26.971 -12.219 19.617 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 27.378 -13.642 19.153 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 28.031 -9.607 23.729 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 28.868 -9.862 23.329 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 28.290 -9.219 24.601 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 23.440 -6.565 28.672 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 22.967 -6.869 29.478 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 22.803 -5.999 28.223 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 23.979 -8.640 32.404 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 23.408 -8.245 31.712 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 24.653 -7.942 32.582 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 26.897 -11.323 21.097 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 26.608 -11.696 21.951 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 26.561 -10.407 21.116 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 22.124 -7.294 30.927 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 21.240 -7.657 31.134 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 22.055 -6.350 31.178 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 18.118 -8.547 29.856 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 18.132 -7.899 29.118 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 18.754 -8.182 30.508 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 25.496 -6.385 32.563 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 24.781 -5.711 32.646 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 26.304 -5.870 32.547 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 22.093 -17.611 24.688 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 21.235 -18.008 24.861 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.587 -17.735 25.522 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 27.103 -15.866 30.924 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 26.196 -15.515 30.956 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 27.018 -16.774 31.232 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 25.988 -11.486 23.749 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 25.477 -11.335 24.579 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 26.708 -10.824 23.792 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.655 -13.637 30.945 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 28.189 -14.507 30.921 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 29.470 -13.818 31.426 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 27.443 -19.370 23.336 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 26.766 -19.982 23.693 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 27.263 -19.353 22.369 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 26.419 -14.699 25.841 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.332 -14.574 26.165 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 25.870 -14.665 26.650 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 24.660 -14.547 27.934 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.301 -13.635 27.933 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 24.948 -14.685 28.856 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 23.729 -10.169 22.383 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 24.405 -9.535 22.090 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 24.233 -10.849 22.845 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 27.690 -14.784 22.319 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 28.652 -14.664 22.348 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 27.493 -14.891 21.370 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 27.221 -9.792 30.676 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 26.892 -10.563 31.178 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 26.491 -9.155 30.710 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 30.464 -14.816 21.890 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 30.773 -14.109 21.311 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 30.384 -15.597 21.294 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 26.358 -12.241 31.753 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 25.730 -12.942 31.495 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 27.237 -12.621 31.548 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 17.990 -4.393 22.601 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 17.070 -4.207 22.384 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 18.325 -3.544 22.975 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 23.800 -12.124 28.985 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 24.722 -11.801 28.860 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 23.248 -11.352 28.738 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 18.542 -2.073 23.937 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.453 -2.287 24.888 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 18.758 -1.135 23.923 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 18.683 -5.516 20.115 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 19.631 -5.695 20.116 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 18.493 -5.228 21.034 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 25.502 -17.409 22.772 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 26.107 -17.916 23.339 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 25.734 -17.692 21.870 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 24.589 -14.225 30.714 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 24.179 -13.434 30.299 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 23.831 -14.709 31.106 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 28.632 -12.502 28.436 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 28.848 -13.238 27.826 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 28.690 -12.905 29.330 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 21.731 -4.842 16.545 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 22.114 -5.736 16.470 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 22.394 -4.264 16.113 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 17.767 -5.451 25.324 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 17.873 -5.386 24.360 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 17.970 -4.557 25.647 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 19.659 -7.775 32.089 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 20.228 -8.096 32.828 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 19.389 -6.875 32.370 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 23.232 -7.046 15.685 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.203 -8.019 15.523 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 24.150 -6.877 15.923 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 24.775 -10.894 33.685 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 24.515 -10.108 33.152 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 25.420 -11.363 33.120 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 26.109 -8.750 21.966 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 26.134 -7.791 21.887 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 26.778 -8.953 22.657 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 23.658 -9.708 15.209 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 23.645 -10.180 14.350 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 24.000 -10.360 15.831 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 22.193 -15.709 31.017 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 22.254 -15.797 30.042 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 21.261 -15.945 31.217 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 22.275 -15.895 28.276 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 23.063 -15.377 28.022 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 22.435 -16.777 27.882 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 26.239 -11.207 28.328 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 27.104 -11.672 28.318 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 26.412 -10.395 28.843 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 17.078 -16.174 34.553 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 16.487 -16.920 34.844 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 17.941 -16.590 34.439 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 23.352 -18.165 27.086 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.280 -17.901 27.138 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 23.389 -19.134 26.908 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 22.672 -14.713 33.589 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 22.470 -15.200 32.771 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 22.570 -15.384 34.300 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 19.551 -16.507 31.157 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 18.637 -16.620 31.437 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 19.942 -17.410 31.241 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.187 -3.944 16.470 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 20.124 -4.227 16.611 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.855 -4.559 15.784 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 28.923 -9.729 28.519 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 29.032 -10.698 28.453 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 28.497 -9.597 29.392 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 29.041 -8.614 26.049 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 29.688 -7.928 26.230 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 28.920 -9.064 26.919 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 16.773 -14.241 36.457 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 16.881 -14.968 35.802 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 16.263 -14.646 37.181 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 23.552 -4.519 32.807 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 22.769 -4.459 32.219 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 23.245 -4.165 33.646 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 21.211 -4.740 31.407 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 20.464 -4.825 32.038 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 20.799 -4.897 30.528 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 20.105 -5.757 29.108 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 20.551 -6.550 28.748 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 19.188 -5.833 28.773 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 22.368 -18.517 22.046 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 22.524 -18.181 22.952 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 23.188 -18.995 21.820 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 26.661 -19.023 20.739 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 27.090 -19.366 19.932 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 25.753 -19.428 20.715 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 30.008 -17.007 20.320 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 29.960 -17.537 21.142 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 29.978 -17.678 19.601 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 29.633 -19.156 18.613 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 30.313 -19.818 18.852 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 28.806 -19.673 18.558 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 20.900 -18.853 31.384 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 21.798 -18.724 31.062 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 20.864 -19.801 31.615 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 22.454 -16.285 35.841 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 21.692 -16.398 36.443 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 23.157 -15.954 36.413 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.040 -14.973 38.546 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 23.241 -15.306 39.425 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 22.161 -15.360 38.338 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 23.309 -12.386 37.709 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 23.298 -13.320 38.016 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 23.214 -12.454 36.731 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 19.623 -6.642 35.409 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 20.490 -6.829 35.823 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 19.180 -7.518 35.370 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 24.889 -10.247 38.220 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 24.267 -10.999 38.081 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 25.380 -10.491 39.005 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 22.166 -7.304 36.277 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 22.893 -7.966 36.152 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 22.370 -6.891 37.122 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 24.010 -9.217 35.852 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 24.396 -9.810 35.181 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 24.414 -9.517 36.697 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 20.643 -10.904 35.256 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 21.420 -11.507 35.213 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 20.941 -10.100 34.784 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 21.594 -8.679 33.869 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 21.781 -8.170 34.684 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 22.472 -8.768 33.439 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 20.551 -12.052 37.768 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 21.509 -12.066 37.959 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.481 -11.540 36.939 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 22.924 -12.404 34.999 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 23.632 -11.892 34.547 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.852 -13.232 34.468 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 19.182 -5.238 33.177 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.332 -5.720 34.031 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 18.594 -4.515 33.418 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 14.012 -16.435 38.709 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 14.899 -16.129 38.986 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 13.948 -16.158 37.771 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 18.975 -18.255 38.849 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 18.212 -18.479 38.258 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 18.600 -18.278 39.735 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 20.671 -16.241 37.993 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 20.169 -17.044 38.261 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 20.011 -15.515 38.056 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 21.686 -3.393 -3.733 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 22.595 -3.755 -3.838 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 21.720 -2.917 -2.873 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 23.756 0.056 0.041 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 23.871 0.203 1.004 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 24.647 -0.203 -0.268 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 15.068 0.314 -7.190 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 14.972 0.450 -6.213 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 15.157 1.206 -7.543 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 19.887 -4.772 -1.348 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 19.185 -4.284 -0.857 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 20.594 -4.106 -1.465 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 21.712 -2.540 -1.163 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 22.594 -2.198 -0.939 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 21.108 -2.051 -0.561 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 16.242 2.883 3.595 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 16.851 3.609 3.857 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 15.591 2.837 4.325 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 12.977 3.964 10.305 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 12.156 4.314 9.887 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 13.321 4.711 10.807 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 22.417 -1.632 2.314 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 22.980 -0.864 2.539 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 22.595 -2.279 3.033 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 19.154 0.447 11.611 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 18.292 0.885 11.517 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 19.787 1.189 11.701 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 19.377 -2.005 12.952 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 19.381 -1.138 12.496 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 19.234 -1.773 13.903 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 20.589 2.836 11.688 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 21.500 2.900 11.997 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 20.629 3.153 10.758 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 23.069 -2.425 6.907 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 22.762 -1.534 7.187 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 22.789 -3.011 7.640 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 21.850 -0.109 7.720 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 21.375 0.480 7.100 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 21.171 -0.357 8.388 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 21.084 3.764 9.121 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 21.227 4.707 8.973 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 21.820 3.329 8.623 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 18.930 2.273 8.200 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 19.682 2.827 8.498 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 18.267 2.365 8.928 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 18.744 2.105 0.304 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 19.680 1.839 0.192 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 18.282 1.682 -0.463 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 22.822 2.523 7.453 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 22.263 2.431 6.660 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 23.023 1.607 7.708 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 17.309 0.748 2.282 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 17.817 1.095 1.525 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 16.861 1.539 2.651 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 20.640 1.701 5.933 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 20.473 2.062 5.026 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 19.943 2.104 6.482 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 18.950 -1.401 15.561 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 19.069 -2.308 15.923 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 18.703 -0.874 16.324 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 25.996 1.409 4.144 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 26.376 2.272 4.340 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 26.377 0.816 4.831 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 21.351 1.305 -0.118 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 22.197 0.801 -0.038 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 21.544 1.980 -0.778 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 19.978 2.829 3.556 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 19.375 3.582 3.748 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 19.879 2.687 2.607 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 17.333 2.456 10.370 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 17.546 3.045 11.125 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 16.605 1.902 10.703 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 16.674 -1.538 10.708 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 16.929 -0.892 11.391 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 15.753 -1.278 10.470 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 25.665 -2.448 5.996 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 25.835 -3.411 6.030 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 24.752 -2.355 6.339 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 20.306 -1.117 0.732 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 20.492 -0.197 0.454 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 21.008 -1.311 1.401 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 23.779 0.720 2.726 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 24.573 0.933 3.270 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 23.138 1.401 2.968 1.00 0.00 WAT1 END