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: -831.668, 80.1849, 110.317, 40.2709, 555.857, -601.732, -1019.36, 2.44141, 0.355441 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.333445E-03,0.447307,1.03479,42.4053,3.677289E-03,0.197218 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 38, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:16 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.609 -10.154 8.342 1.00 63.41 ATOM 2 CB MET 1 14.484 -8.200 9.220 1.00 75.42 ATOM 3 HB1 MET 1 14.797 -8.527 10.202 1.00 38.16 ATOM 4 HB2 MET 1 13.403 -8.215 9.176 1.00 62.50 ATOM 5 CG MET 1 14.946 -6.760 9.028 1.00 54.32 ATOM 6 HG1 MET 1 14.545 -6.389 8.094 1.00 38.16 ATOM 7 HG2 MET 1 16.025 -6.743 8.985 1.00 42.00 ATOM 8 SD MET 1 14.407 -5.671 10.359 1.00 15.40 ATOM 9 CE MET 1 15.021 -4.096 9.768 1.00 3.14 ATOM 10 HE1 MET 1 14.779 -3.324 10.484 1.00 22.41 ATOM 11 HE2 MET 1 14.559 -3.863 8.820 1.00 24.41 ATOM 12 HE3 MET 1 16.092 -4.151 9.643 1.00 63.44 ATOM 13 C MET 1 14.643 -8.706 6.765 1.00 14.14 ATOM 14 O MET 1 15.507 -8.409 5.938 1.00 2.13 ATOM 15 N MET 1 16.515 -9.289 8.308 1.00 33.32 ATOM 16 HT1 MET 1 16.768 -9.534 9.288 1.00 38.16 ATOM 17 HT2 MET 1 16.973 -8.389 8.060 1.00 38.16 ATOM 18 HT3 MET 1 16.878 -10.032 7.679 1.00 38.16 ATOM 19 CA MET 1 15.036 -9.176 8.173 1.00 2.41 ATOM 20 N GLY 2 13.338 -8.640 6.498 1.00 32.24 ATOM 21 HN GLY 2 12.689 -8.949 7.169 1.00 38.16 ATOM 22 CA GLY 2 12.861 -8.124 5.219 1.00 61.44 ATOM 23 HA1 GLY 2 13.591 -7.429 4.828 1.00 38.16 ATOM 24 HA2 GLY 2 11.937 -7.590 5.386 1.00 50.14 ATOM 25 C GLY 2 12.608 -9.204 4.173 1.00 61.22 ATOM 26 O GLY 2 12.674 -10.399 4.458 1.00 41.21 ATOM 27 N HIS 3 12.323 -8.768 2.949 1.00 71.23 ATOM 28 HN HIS 3 12.313 -7.801 2.787 1.00 38.16 ATOM 29 CA HIS 3 12.007 -9.673 1.842 1.00 51.11 ATOM 30 HA HIS 3 11.814 -10.654 2.252 1.00 32.31 ATOM 31 CB HIS 3 10.738 -9.168 1.133 1.00 3.24 ATOM 32 HB1 HIS 3 10.963 -8.235 0.631 1.00 38.16 ATOM 33 HB2 HIS 3 9.972 -8.989 1.874 1.00 61.31 ATOM 34 CG HIS 3 10.177 -10.118 0.116 1.00 24.22 ATOM 35 ND1 HIS 3 10.408 -9.999 -1.237 1.00 24.01 ATOM 36 HD1 HIS 3 10.955 -9.306 -1.668 1.00 64.55 ATOM 37 CD2 HIS 3 9.383 -11.204 0.261 1.00 62.32 ATOM 38 HD2 HIS 3 9.007 -11.605 1.192 1.00 43.34 ATOM 39 CE1 HIS 3 9.781 -10.964 -1.879 1.00 63.44 ATOM 40 HE1 HIS 3 9.789 -11.121 -2.949 1.00 73.51 ATOM 41 NE2 HIS 3 9.153 -11.709 -0.995 1.00 72.43 ATOM 42 HE2 HIS 3 8.725 -12.572 -1.189 1.00 38.16 ATOM 43 C HIS 3 13.179 -9.771 0.844 1.00 54.04 ATOM 44 O HIS 3 13.042 -10.339 -0.243 1.00 22.11 ATOM 45 N HIS 4 14.340 -9.243 1.227 1.00 65.12 ATOM 46 HN HIS 4 14.420 -8.885 2.136 1.00 38.16 ATOM 47 CA HIS 4 15.511 -9.210 0.338 1.00 71.44 ATOM 48 HA HIS 4 15.189 -8.807 -0.613 1.00 24.03 ATOM 49 CB HIS 4 16.597 -8.290 0.919 1.00 73.30 ATOM 50 HB1 HIS 4 17.447 -8.282 0.251 1.00 38.16 ATOM 51 HB2 HIS 4 16.908 -8.671 1.880 1.00 35.14 ATOM 52 CG HIS 4 16.152 -6.870 1.109 1.00 12.32 ATOM 53 ND1 HIS 4 16.106 -6.247 2.339 1.00 25.21 ATOM 54 HD1 HIS 4 16.359 -6.651 3.195 1.00 54.24 ATOM 55 CD2 HIS 4 15.743 -5.945 0.211 1.00 75.11 ATOM 56 HD2 HIS 4 15.656 -6.084 -0.856 1.00 55.12 ATOM 57 CE1 HIS 4 15.687 -5.008 2.188 1.00 54.54 ATOM 58 HE1 HIS 4 15.548 -4.287 2.981 1.00 5.24 ATOM 59 NE2 HIS 4 15.462 -4.797 0.908 1.00 14.41 ATOM 60 HE2 HIS 4 15.326 -3.912 0.502 1.00 38.16 ATOM 61 C HIS 4 16.082 -10.622 0.102 1.00 65.33 ATOM 62 O HIS 4 15.861 -11.224 -0.952 1.00 53.45 ATOM 63 N HIS 5 16.806 -11.143 1.091 1.00 41.03 ATOM 64 HN HIS 5 16.945 -10.613 1.905 1.00 38.16 ATOM 65 CA HIS 5 17.394 -12.488 1.011 1.00 71.31 ATOM 66 HA HIS 5 17.124 -12.915 0.054 1.00 50.11 ATOM 67 CB HIS 5 18.924 -12.405 1.101 1.00 61.51 ATOM 68 HB1 HIS 5 19.337 -13.402 1.040 1.00 38.16 ATOM 69 HB2 HIS 5 19.204 -11.963 2.046 1.00 41.22 ATOM 70 CG HIS 5 19.538 -11.586 0.008 1.00 51.44 ATOM 71 ND1 HIS 5 19.952 -10.282 0.181 1.00 62.02 ATOM 72 HD1 HIS 5 19.897 -9.768 1.013 1.00 4.54 ATOM 73 CD2 HIS 5 19.808 -11.891 -1.284 1.00 10.14 ATOM 74 HD2 HIS 5 19.615 -12.835 -1.773 1.00 34.04 ATOM 75 CE1 HIS 5 20.444 -9.824 -0.950 1.00 74.42 ATOM 76 HE1 HIS 5 20.843 -8.833 -1.110 1.00 73.21 ATOM 77 NE2 HIS 5 20.369 -10.778 -1.853 1.00 31.12 ATOM 78 HE2 HIS 5 20.532 -10.655 -2.813 1.00 38.16 ATOM 79 C HIS 5 16.844 -13.399 2.120 1.00 40.55 ATOM 80 O HIS 5 16.412 -12.919 3.171 1.00 21.23 ATOM 81 N HIS 6 16.863 -14.712 1.868 1.00 41.22 ATOM 82 HN HIS 6 17.277 -15.025 1.032 1.00 38.16 ATOM 83 CA HIS 6 16.290 -15.712 2.787 1.00 4.20 ATOM 84 HA HIS 6 16.468 -16.686 2.351 1.00 71.23 ATOM 85 CB HIS 6 16.990 -15.649 4.159 1.00 3.00 ATOM 86 HB1 HIS 6 16.672 -14.755 4.677 1.00 38.16 ATOM 87 HB2 HIS 6 18.059 -15.607 4.009 1.00 33.31 ATOM 88 CG HIS 6 16.700 -16.824 5.046 1.00 1.01 ATOM 89 ND1 HIS 6 16.103 -16.711 6.282 1.00 54.32 ATOM 90 HD1 HIS 6 15.811 -15.873 6.703 1.00 32.44 ATOM 91 CD2 HIS 6 16.945 -18.144 4.874 1.00 55.55 ATOM 92 HD2 HIS 6 17.406 -18.602 4.009 1.00 2.20 ATOM 93 CE1 HIS 6 15.995 -17.903 6.829 1.00 53.32 ATOM 94 HE1 HIS 6 15.564 -18.117 7.796 1.00 72.03 ATOM 95 NE2 HIS 6 16.497 -18.792 5.998 1.00 21.50 ATOM 96 HE2 HIS 6 16.727 -19.714 6.242 1.00 38.16 ATOM 97 C HIS 6 14.764 -15.525 2.933 1.00 14.34 ATOM 98 O HIS 6 14.135 -16.070 3.842 1.00 22.30 ATOM 99 N HIS 7 14.174 -14.777 2.000 1.00 74.54 ATOM 100 HN HIS 7 14.725 -14.408 1.279 1.00 38.16 ATOM 101 CA HIS 7 12.733 -14.493 2.017 1.00 73.13 ATOM 102 HA HIS 7 12.493 -14.096 2.995 1.00 63.52 ATOM 103 CB HIS 7 12.382 -13.434 0.960 1.00 72.14 ATOM 104 HB1 HIS 7 12.813 -12.487 1.258 1.00 38.16 ATOM 105 HB2 HIS 7 11.309 -13.328 0.911 1.00 14.31 ATOM 106 CG HIS 7 12.873 -13.745 -0.429 1.00 4.12 ATOM 107 ND1 HIS 7 13.668 -12.883 -1.153 1.00 53.42 ATOM 108 HD1 HIS 7 13.996 -12.011 -0.846 1.00 34.34 ATOM 109 CD2 HIS 7 12.660 -14.814 -1.238 1.00 54.13 ATOM 110 HD2 HIS 7 12.076 -15.691 -0.999 1.00 11.31 ATOM 111 CE1 HIS 7 13.921 -13.402 -2.336 1.00 13.52 ATOM 112 HE1 HIS 7 14.518 -12.943 -3.112 1.00 72.45 ATOM 113 NE2 HIS 7 13.323 -14.572 -2.415 1.00 70.23 ATOM 114 HE2 HIS 7 13.203 -15.082 -3.245 1.00 38.16 ATOM 115 C HIS 7 11.896 -15.764 1.793 1.00 14.04 ATOM 116 O HIS 7 12.314 -16.669 1.068 1.00 1.31 ATOM 117 N HIS 8 10.727 -15.824 2.440 1.00 62.33 ATOM 118 HN HIS 8 10.469 -15.065 3.008 1.00 38.16 ATOM 119 CA HIS 8 9.795 -16.965 2.330 1.00 64.13 ATOM 120 HA HIS 8 8.901 -16.688 2.873 1.00 41.42 ATOM 121 CB HIS 8 9.405 -17.212 0.863 1.00 40.14 ATOM 122 HB1 HIS 8 10.296 -17.424 0.291 1.00 38.16 ATOM 123 HB2 HIS 8 8.934 -16.323 0.468 1.00 34.34 ATOM 124 CG HIS 8 8.451 -18.356 0.677 1.00 13.04 ATOM 125 ND1 HIS 8 7.157 -18.339 1.149 1.00 44.31 ATOM 126 HD1 HIS 8 6.731 -17.597 1.629 1.00 13.41 ATOM 127 CD2 HIS 8 8.614 -19.562 0.082 1.00 32.50 ATOM 128 HD2 HIS 8 9.508 -19.923 -0.405 1.00 35.15 ATOM 129 CE1 HIS 8 6.569 -19.480 0.860 1.00 55.40 ATOM 130 HE1 HIS 8 5.553 -19.748 1.110 1.00 0.22 ATOM 131 NE2 HIS 8 7.427 -20.238 0.213 1.00 53.23 ATOM 132 HE2 HIS 8 7.203 -21.087 -0.227 1.00 38.16 ATOM 133 C HIS 8 10.344 -18.264 2.961 1.00 32.13 ATOM 134 O HIS 8 9.570 -19.121 3.389 1.00 71.34 ATOM 135 N SER 9 11.666 -18.407 3.023 1.00 75.25 ATOM 136 HN SER 9 12.237 -17.678 2.716 1.00 38.16 ATOM 137 CA SER 9 12.297 -19.620 3.551 1.00 75.32 ATOM 138 HA SER 9 11.824 -20.468 3.072 1.00 54.11 ATOM 139 CB SER 9 13.793 -19.638 3.205 1.00 5.23 ATOM 140 HB1 SER 9 14.257 -20.502 3.660 1.00 38.16 ATOM 141 HB2 SER 9 14.261 -18.740 3.580 1.00 60.35 ATOM 142 OG SER 9 13.991 -19.702 1.799 1.00 72.45 ATOM 143 HG SER 9 13.457 -20.424 1.436 1.00 63.10 ATOM 144 C SER 9 12.109 -19.748 5.064 1.00 54.34 ATOM 145 O SER 9 12.512 -18.870 5.829 1.00 61.13 ATOM 146 N HIS 10 11.493 -20.852 5.483 1.00 10.44 ATOM 147 HN HIS 10 11.172 -21.495 4.814 1.00 38.16 ATOM 148 CA HIS 10 11.270 -21.138 6.904 1.00 2.01 ATOM 149 HA HIS 10 10.545 -20.426 7.272 1.00 31.03 ATOM 150 CB HIS 10 10.691 -22.556 7.062 1.00 14.43 ATOM 151 HB1 HIS 10 11.316 -23.250 6.516 1.00 38.16 ATOM 152 HB2 HIS 10 9.695 -22.582 6.645 1.00 63.43 ATOM 153 CG HIS 10 10.601 -23.040 8.480 1.00 3.55 ATOM 154 ND1 HIS 10 11.063 -24.275 8.879 1.00 21.31 ATOM 155 HD1 HIS 10 11.480 -24.951 8.297 1.00 45.34 ATOM 156 CD2 HIS 10 10.092 -22.458 9.596 1.00 71.11 ATOM 157 HD2 HIS 10 9.640 -21.480 9.659 1.00 65.22 ATOM 158 CE1 HIS 10 10.847 -24.432 10.168 1.00 53.04 ATOM 159 HE1 HIS 10 11.105 -25.307 10.747 1.00 14.44 ATOM 160 NE2 HIS 10 10.262 -23.346 10.630 1.00 52.23 ATOM 161 HE2 HIS 10 10.167 -23.128 11.583 1.00 38.16 ATOM 162 C HIS 10 12.566 -20.994 7.724 1.00 60.41 ATOM 163 O HIS 10 13.553 -21.687 7.476 1.00 14.32 ATOM 164 N MET 11 12.549 -20.079 8.694 1.00 54.14 ATOM 165 HN MET 11 11.755 -19.516 8.798 1.00 38.16 ATOM 166 CA MET 11 13.684 -19.884 9.606 1.00 62.53 ATOM 167 HA MET 11 14.570 -19.722 9.008 1.00 22.34 ATOM 168 CB MET 11 13.440 -18.648 10.484 1.00 74.42 ATOM 169 HB1 MET 11 14.275 -18.529 11.158 1.00 38.16 ATOM 170 HB2 MET 11 12.540 -18.801 11.062 1.00 53.54 ATOM 171 CG MET 11 13.281 -17.358 9.692 1.00 1.05 ATOM 172 HG1 MET 11 12.464 -17.478 8.995 1.00 38.16 ATOM 173 HG2 MET 11 14.194 -17.173 9.145 1.00 32.31 ATOM 174 SD MET 11 12.939 -15.932 10.743 1.00 34.24 ATOM 175 CE MET 11 12.813 -14.627 9.520 1.00 60.24 ATOM 176 HE1 MET 11 12.014 -14.855 8.830 1.00 2.41 ATOM 177 HE2 MET 11 13.745 -14.547 8.979 1.00 2.10 ATOM 178 HE3 MET 11 12.603 -13.690 10.015 1.00 63.25 ATOM 179 C MET 11 13.901 -21.122 10.489 1.00 3.05 ATOM 180 O MET 11 13.082 -22.044 10.495 1.00 40.21 ATOM 181 N ASN 12 14.999 -21.139 11.238 1.00 71.24 ATOM 182 HN ASN 12 15.613 -20.373 11.212 1.00 38.16 ATOM 183 CA ASN 12 15.294 -22.266 12.125 1.00 41.41 ATOM 184 HA ASN 12 15.267 -23.171 11.532 1.00 4.24 ATOM 185 CB ASN 12 16.686 -22.116 12.747 1.00 73.41 ATOM 186 HB1 ASN 12 16.915 -23.002 13.323 1.00 38.16 ATOM 187 HB2 ASN 12 16.691 -21.256 13.402 1.00 61.22 ATOM 188 CG ASN 12 17.769 -21.927 11.701 1.00 53.21 ATOM 189 OD1 ASN 12 18.349 -22.887 11.201 1.00 55.12 ATOM 190 ND2 ASN 12 18.052 -20.687 11.360 1.00 23.22 ATOM 191 HD21 ASN 12 17.560 -19.962 11.797 1.00 71.31 ATOM 192 HD22 ASN 12 18.743 -20.540 10.682 1.00 21.32 ATOM 193 C ASN 12 14.232 -22.366 13.228 1.00 11.03 ATOM 194 O ASN 12 14.073 -21.445 14.032 1.00 15.10 ATOM 195 N SER 13 13.510 -23.485 13.260 1.00 44.24 ATOM 196 HN SER 13 13.710 -24.193 12.612 1.00 38.16 ATOM 197 CA SER 13 12.422 -23.693 14.230 1.00 0.51 ATOM 198 HA SER 13 11.629 -23.002 13.985 1.00 65.02 ATOM 199 CB SER 13 11.880 -25.123 14.130 1.00 60.33 ATOM 200 HB1 SER 13 11.086 -25.259 14.852 1.00 38.16 ATOM 201 HB2 SER 13 12.675 -25.824 14.337 1.00 1.03 ATOM 202 OG SER 13 11.366 -25.390 12.837 1.00 51.14 ATOM 203 HG SER 13 11.366 -26.343 12.686 1.00 61.20 ATOM 204 C SER 13 12.882 -23.419 15.666 1.00 44.34 ATOM 205 O SER 13 12.094 -23.007 16.516 1.00 51.43 ATOM 206 N ALA 14 14.163 -23.647 15.929 1.00 61.43 ATOM 207 HN ALA 14 14.734 -24.012 15.220 1.00 38.16 ATOM 208 CA ALA 14 14.744 -23.371 17.243 1.00 24.50 ATOM 209 HA ALA 14 14.222 -23.981 17.969 1.00 0.41 ATOM 210 CB ALA 14 16.212 -23.778 17.255 1.00 11.32 ATOM 211 HB1 ALA 14 16.768 -23.144 16.579 1.00 63.43 ATOM 212 HB2 ALA 14 16.304 -24.807 16.939 1.00 24.45 ATOM 213 HB3 ALA 14 16.608 -23.672 18.255 1.00 15.35 ATOM 214 C ALA 14 14.591 -21.889 17.634 1.00 64.14 ATOM 215 O ALA 14 14.252 -21.572 18.773 1.00 60.42 ATOM 216 N GLU 15 14.816 -20.991 16.668 1.00 33.41 ATOM 217 HN GLU 15 15.027 -21.310 15.766 1.00 38.16 ATOM 218 CA GLU 15 14.741 -19.539 16.905 1.00 34.33 ATOM 219 HA GLU 15 15.489 -19.286 17.643 1.00 74.34 ATOM 220 CB GLU 15 15.048 -18.771 15.605 1.00 33.31 ATOM 221 HB1 GLU 15 14.991 -17.709 15.805 1.00 38.16 ATOM 222 HB2 GLU 15 14.301 -19.027 14.866 1.00 34.52 ATOM 223 CG GLU 15 16.424 -19.072 15.013 1.00 63.01 ATOM 224 HG1 GLU 15 16.490 -20.131 14.806 1.00 38.16 ATOM 225 HG2 GLU 15 17.179 -18.806 15.741 1.00 24.24 ATOM 226 CD GLU 15 16.696 -18.305 13.723 1.00 45.44 ATOM 227 OE1 GLU 15 17.347 -17.240 13.780 1.00 32.50 ATOM 228 OE2 GLU 15 16.265 -18.762 12.644 1.00 52.14 ATOM 229 C GLU 15 13.358 -19.120 17.440 1.00 31.14 ATOM 230 O GLU 15 13.256 -18.397 18.436 1.00 30.23 ATOM 231 N GLN 16 12.301 -19.588 16.773 1.00 10.35 ATOM 232 HN GLN 16 12.450 -20.172 16.000 1.00 38.16 ATOM 233 CA GLN 16 10.922 -19.247 17.157 1.00 61.51 ATOM 234 HA GLN 16 10.890 -18.181 17.337 1.00 13.13 ATOM 235 CB GLN 16 9.945 -19.580 16.009 1.00 51.11 ATOM 236 HB1 GLN 16 10.261 -19.052 15.119 1.00 38.16 ATOM 237 HB2 GLN 16 8.958 -19.235 16.286 1.00 14.42 ATOM 238 CG GLN 16 9.853 -21.069 15.677 1.00 25.31 ATOM 239 HG1 GLN 16 9.464 -21.593 16.540 1.00 38.16 ATOM 240 HG2 GLN 16 10.844 -21.437 15.456 1.00 74.30 ATOM 241 CD GLN 16 8.953 -21.366 14.486 1.00 14.31 ATOM 242 OE1 GLN 16 9.407 -21.449 13.345 1.00 4.03 ATOM 243 NE2 GLN 16 7.669 -21.517 14.741 1.00 73.32 ATOM 244 HE21 GLN 16 7.367 -21.428 15.669 1.00 41.12 ATOM 245 HE22 GLN 16 7.071 -21.704 13.991 1.00 62.25 ATOM 246 C GLN 16 10.496 -19.971 18.449 1.00 21.41 ATOM 247 O GLN 16 9.808 -19.396 19.297 1.00 34.54 ATOM 248 N THR 17 10.919 -21.229 18.603 1.00 51.42 ATOM 249 HN THR 17 11.481 -21.630 17.906 1.00 38.16 ATOM 250 CA THR 17 10.557 -22.037 19.782 1.00 73.41 ATOM 251 HA THR 17 9.477 -22.099 19.810 1.00 74.42 ATOM 252 CB THR 17 11.113 -23.481 19.686 1.00 32.15 ATOM 253 HB THR 17 12.194 -23.433 19.639 1.00 70.32 ATOM 254 OG1 THR 17 10.622 -24.118 18.496 1.00 5.13 ATOM 255 HG1 THR 17 11.290 -24.065 17.809 1.00 51.25 ATOM 256 CG2 THR 17 10.715 -24.318 20.899 1.00 71.04 ATOM 257 HG21 THR 17 11.094 -25.324 20.781 1.00 50.44 ATOM 258 HG22 THR 17 9.638 -24.348 20.980 1.00 24.45 ATOM 259 HG23 THR 17 11.132 -23.880 21.796 1.00 51.53 ATOM 260 C THR 17 11.041 -21.392 21.090 1.00 70.12 ATOM 261 O THR 17 10.339 -21.430 22.102 1.00 44.11 ATOM 262 N VAL 18 12.238 -20.796 21.069 1.00 11.11 ATOM 263 HN VAL 18 12.789 -20.852 20.256 1.00 38.16 ATOM 264 CA VAL 18 12.750 -20.064 22.238 1.00 2.15 ATOM 265 HA VAL 18 12.911 -20.782 23.033 1.00 55.33 ATOM 266 CB VAL 18 14.099 -19.357 21.935 1.00 4.11 ATOM 267 HB VAL 18 13.935 -18.656 21.128 1.00 2.23 ATOM 268 CG1 VAL 18 14.590 -18.571 23.152 1.00 15.41 ATOM 269 HG11 VAL 18 15.539 -18.108 22.926 1.00 75.11 ATOM 270 HG12 VAL 18 14.707 -19.241 23.993 1.00 21.35 ATOM 271 HG13 VAL 18 13.868 -17.806 23.403 1.00 15.33 ATOM 272 CG2 VAL 18 15.157 -20.362 21.483 1.00 51.44 ATOM 273 HG21 VAL 18 14.817 -20.866 20.590 1.00 1.31 ATOM 274 HG22 VAL 18 15.325 -21.091 22.263 1.00 23.10 ATOM 275 HG23 VAL 18 16.080 -19.843 21.272 1.00 41.13 ATOM 276 C VAL 18 11.729 -19.013 22.711 1.00 34.42 ATOM 277 O VAL 18 11.299 -19.020 23.866 1.00 14.50 ATOM 278 N THR 19 11.330 -18.126 21.798 1.00 13.02 ATOM 279 HN THR 19 11.709 -18.173 20.895 1.00 38.16 ATOM 280 CA THR 19 10.340 -17.077 22.098 1.00 13.00 ATOM 281 HA THR 19 10.755 -16.444 22.872 1.00 35.53 ATOM 282 CB THR 19 10.061 -16.196 20.852 1.00 43.31 ATOM 283 HB THR 19 9.678 -16.829 20.062 1.00 24.21 ATOM 284 OG1 THR 19 11.282 -15.588 20.402 1.00 3.40 ATOM 285 HG1 THR 19 11.080 -14.899 19.754 1.00 24.02 ATOM 286 CG2 THR 19 9.028 -15.110 21.150 1.00 72.04 ATOM 287 HG21 THR 19 9.373 -14.497 21.971 1.00 1.14 ATOM 288 HG22 THR 19 8.087 -15.569 21.414 1.00 72.44 ATOM 289 HG23 THR 19 8.891 -14.492 20.273 1.00 71.40 ATOM 290 C THR 19 9.013 -17.670 22.600 1.00 24.40 ATOM 291 O THR 19 8.397 -17.146 23.531 1.00 73.44 ATOM 292 N TRP 20 8.588 -18.769 21.981 1.00 3.03 ATOM 293 HN TRP 20 9.118 -19.128 21.235 1.00 38.16 ATOM 294 CA TRP 20 7.351 -19.458 22.366 1.00 41.51 ATOM 295 HA TRP 20 6.540 -18.750 22.274 1.00 15.13 ATOM 296 CB TRP 20 7.095 -20.627 21.406 1.00 30.01 ATOM 297 HB1 TRP 20 7.917 -21.326 21.479 1.00 38.16 ATOM 298 HB2 TRP 20 7.049 -20.245 20.396 1.00 31.43 ATOM 299 CG TRP 20 5.819 -21.377 21.668 1.00 64.24 ATOM 300 CD1 TRP 20 4.554 -20.859 21.733 1.00 41.24 ATOM 301 HD1 TRP 20 4.318 -19.813 21.611 1.00 11.23 ATOM 302 CD2 TRP 20 5.685 -22.786 21.879 1.00 63.31 ATOM 303 NE1 TRP 20 3.647 -21.862 21.978 1.00 73.11 ATOM 304 HE1 TRP 20 2.673 -21.744 22.072 1.00 32.33 ATOM 305 CE2 TRP 20 4.318 -23.051 22.074 1.00 0.21 ATOM 306 CE3 TRP 20 6.594 -23.848 21.927 1.00 64.31 ATOM 307 HE3 TRP 20 7.653 -23.686 21.782 1.00 30.42 ATOM 308 CZ2 TRP 20 3.836 -24.334 22.309 1.00 31.44 ATOM 309 HZ2 TRP 20 2.786 -24.531 22.455 1.00 63.30 ATOM 310 CZ3 TRP 20 6.114 -25.122 22.160 1.00 1.33 ATOM 311 HZ3 TRP 20 6.800 -25.956 22.199 1.00 30.10 ATOM 312 CH2 TRP 20 4.746 -25.355 22.349 1.00 63.45 ATOM 313 HH2 TRP 20 4.413 -26.367 22.529 1.00 35.31 ATOM 314 C TRP 20 7.407 -19.951 23.825 1.00 11.13 ATOM 315 O TRP 20 6.444 -19.804 24.580 1.00 51.21 ATOM 316 N LEU 21 8.544 -20.517 24.224 1.00 1.11 ATOM 317 HN LEU 21 9.277 -20.622 23.580 1.00 38.16 ATOM 318 CA LEU 21 8.726 -20.996 25.601 1.00 44.32 ATOM 319 HA LEU 21 7.875 -21.618 25.845 1.00 21.55 ATOM 320 CB LEU 21 10.004 -21.843 25.709 1.00 24.32 ATOM 321 HB1 LEU 21 10.123 -22.144 26.741 1.00 38.16 ATOM 322 HB2 LEU 21 10.847 -21.220 25.438 1.00 34.50 ATOM 323 CG LEU 21 10.036 -23.110 24.835 1.00 44.21 ATOM 324 HG LEU 21 9.966 -22.820 23.795 1.00 23.45 ATOM 325 CD1 LEU 21 11.352 -23.864 25.019 1.00 11.32 ATOM 326 HD11 LEU 21 12.177 -23.222 24.743 1.00 70.04 ATOM 327 HD12 LEU 21 11.357 -24.742 24.389 1.00 52.22 ATOM 328 HD13 LEU 21 11.459 -24.163 26.052 1.00 73.10 ATOM 329 CD2 LEU 21 8.844 -24.013 25.151 1.00 32.10 ATOM 330 HD21 LEU 21 7.926 -23.481 24.950 1.00 62.32 ATOM 331 HD22 LEU 21 8.872 -24.299 26.193 1.00 22.22 ATOM 332 HD23 LEU 21 8.888 -24.900 24.534 1.00 11.14 ATOM 333 C LEU 21 8.781 -19.829 26.605 1.00 61.23 ATOM 334 O LEU 21 8.228 -19.913 27.707 1.00 13.40 ATOM 335 N ILE 22 9.446 -18.740 26.220 1.00 51.33 ATOM 336 HN ILE 22 9.880 -18.732 25.338 1.00 38.16 ATOM 337 CA ILE 22 9.561 -17.559 27.084 1.00 33.31 ATOM 338 HA ILE 22 9.959 -17.887 28.036 1.00 2.01 ATOM 339 CB ILE 22 10.539 -16.512 26.489 1.00 23.34 ATOM 340 HB ILE 22 10.167 -16.219 25.517 1.00 23.44 ATOM 341 CG1 ILE 22 11.943 -17.121 26.325 1.00 71.14 ATOM 342 HG11 ILE 22 11.874 -18.005 25.706 1.00 38.16 ATOM 343 HG12 ILE 22 12.326 -17.401 27.296 1.00 12.41 ATOM 344 CG2 ILE 22 10.600 -15.261 27.368 1.00 50.04 ATOM 345 HG21 ILE 22 10.933 -15.532 28.361 1.00 21.24 ATOM 346 HG22 ILE 22 9.619 -14.813 27.431 1.00 35.44 ATOM 347 HG23 ILE 22 11.291 -14.551 26.938 1.00 54.43 ATOM 348 CD1 ILE 22 12.949 -16.185 25.687 1.00 14.41 ATOM 349 HD11 ILE 22 13.040 -15.289 26.284 1.00 72.11 ATOM 350 HD12 ILE 22 12.619 -15.924 24.693 1.00 13.45 ATOM 351 HD13 ILE 22 13.909 -16.677 25.629 1.00 2.42 ATOM 352 C ILE 22 8.192 -16.896 27.328 1.00 74.43 ATOM 353 O ILE 22 7.839 -16.582 28.468 1.00 45.53 ATOM 354 N THR 23 7.414 -16.700 26.261 1.00 14.45 ATOM 355 HN THR 23 7.732 -16.994 25.379 1.00 38.16 ATOM 356 CA THR 23 6.095 -16.050 26.374 1.00 2.43 ATOM 357 HA THR 23 6.240 -15.115 26.900 1.00 31.24 ATOM 358 CB THR 23 5.484 -15.724 24.986 1.00 24.24 ATOM 359 HB THR 23 6.205 -15.148 24.421 1.00 1.50 ATOM 360 OG1 THR 23 4.286 -14.943 25.138 1.00 14.13 ATOM 361 HG1 THR 23 3.791 -15.254 25.909 1.00 10.32 ATOM 362 CG2 THR 23 5.160 -16.991 24.204 1.00 32.14 ATOM 363 HG21 THR 23 4.719 -16.727 23.253 1.00 44.02 ATOM 364 HG22 THR 23 4.463 -17.596 24.767 1.00 42.23 ATOM 365 HG23 THR 23 6.067 -17.553 24.035 1.00 40.31 ATOM 366 C THR 23 5.098 -16.906 27.177 1.00 3.15 ATOM 367 O THR 23 4.086 -16.401 27.666 1.00 64.44 ATOM 368 N LEU 24 5.381 -18.203 27.299 1.00 14.42 ATOM 369 HN LEU 24 6.150 -18.568 26.812 1.00 38.16 ATOM 370 CA LEU 24 4.565 -19.105 28.126 1.00 32.54 ATOM 371 HA LEU 24 3.555 -18.716 28.138 1.00 50.34 ATOM 372 CB LEU 24 4.542 -20.513 27.511 1.00 34.52 ATOM 373 HB1 LEU 24 4.147 -21.200 28.247 1.00 38.16 ATOM 374 HB2 LEU 24 5.560 -20.801 27.287 1.00 72.22 ATOM 375 CG LEU 24 3.704 -20.651 26.228 1.00 42.10 ATOM 376 HG LEU 24 4.077 -19.959 25.485 1.00 35.43 ATOM 377 CD1 LEU 24 3.819 -22.056 25.648 1.00 10.05 ATOM 378 HD11 LEU 24 3.201 -22.134 24.764 1.00 21.33 ATOM 379 HD12 LEU 24 3.492 -22.780 26.380 1.00 32.20 ATOM 380 HD13 LEU 24 4.848 -22.253 25.383 1.00 23.22 ATOM 381 CD2 LEU 24 2.244 -20.301 26.506 1.00 70.24 ATOM 382 HD21 LEU 24 1.662 -20.436 25.607 1.00 54.53 ATOM 383 HD22 LEU 24 2.174 -19.271 26.826 1.00 54.35 ATOM 384 HD23 LEU 24 1.858 -20.946 27.286 1.00 51.23 ATOM 385 C LEU 24 5.078 -19.166 29.575 1.00 1.44 ATOM 386 O LEU 24 4.495 -19.843 30.420 1.00 15.42 ATOM 387 N GLY 25 6.180 -18.468 29.849 1.00 40.43 ATOM 388 HN GLY 25 6.637 -17.994 29.122 1.00 38.16 ATOM 389 CA GLY 25 6.712 -18.390 31.209 1.00 24.21 ATOM 390 HA1 GLY 25 5.912 -18.098 31.875 1.00 38.16 ATOM 391 HA2 GLY 25 7.475 -17.627 31.234 1.00 12.21 ATOM 392 C GLY 25 7.320 -19.698 31.719 1.00 34.42 ATOM 393 O GLY 25 7.652 -19.813 32.902 1.00 54.12 ATOM 394 N VAL 26 7.476 -20.680 30.835 1.00 4.31 ATOM 395 HN VAL 26 7.211 -20.527 29.903 1.00 38.16 ATOM 396 CA VAL 26 8.037 -21.983 31.218 1.00 31.42 ATOM 397 HA VAL 26 7.732 -22.189 32.237 1.00 34.11 ATOM 398 CB VAL 26 7.491 -23.117 30.315 1.00 42.34 ATOM 399 HB VAL 26 7.873 -24.059 30.688 1.00 2.33 ATOM 400 CG1 VAL 26 5.969 -23.162 30.392 1.00 52.42 ATOM 401 HG11 VAL 26 5.561 -22.214 30.068 1.00 10.02 ATOM 402 HG12 VAL 26 5.663 -23.354 31.411 1.00 13.14 ATOM 403 HG13 VAL 26 5.598 -23.948 29.754 1.00 1.15 ATOM 404 CG2 VAL 26 7.961 -22.946 28.871 1.00 51.50 ATOM 405 HG21 VAL 26 7.566 -23.749 28.264 1.00 52.52 ATOM 406 HG22 VAL 26 9.041 -22.969 28.837 1.00 1.42 ATOM 407 HG23 VAL 26 7.611 -21.999 28.485 1.00 55.22 ATOM 408 C VAL 26 9.570 -21.965 31.167 1.00 32.43 ATOM 409 O VAL 26 10.240 -22.707 31.885 1.00 14.41 ATOM 410 N LEU 27 10.112 -21.100 30.316 1.00 72.25 ATOM 411 HN LEU 27 9.521 -20.575 29.735 1.00 38.16 ATOM 412 CA LEU 27 11.558 -20.900 30.215 1.00 64.01 ATOM 413 HA LEU 27 12.035 -21.486 30.991 1.00 50.42 ATOM 414 CB LEU 27 12.059 -21.376 28.844 1.00 50.44 ATOM 415 HB1 LEU 27 11.552 -20.802 28.081 1.00 38.16 ATOM 416 HB2 LEU 27 11.781 -22.415 28.727 1.00 5.52 ATOM 417 CG LEU 27 13.575 -21.253 28.607 1.00 74.30 ATOM 418 HG LEU 27 13.865 -20.215 28.711 1.00 61.13 ATOM 419 CD1 LEU 27 14.358 -22.061 29.642 1.00 32.41 ATOM 420 HD11 LEU 27 14.063 -23.100 29.589 1.00 20.13 ATOM 421 HD12 LEU 27 14.153 -21.679 30.630 1.00 11.42 ATOM 422 HD13 LEU 27 15.416 -21.978 29.439 1.00 23.31 ATOM 423 CD2 LEU 27 13.929 -21.700 27.190 1.00 23.32 ATOM 424 HD21 LEU 27 14.998 -21.635 27.047 1.00 34.44 ATOM 425 HD22 LEU 27 13.433 -21.059 26.474 1.00 54.31 ATOM 426 HD23 LEU 27 13.608 -22.721 27.041 1.00 2.24 ATOM 427 C LEU 27 11.899 -19.418 30.426 1.00 43.35 ATOM 428 O LEU 27 11.344 -18.545 29.756 1.00 63.54 ATOM 429 N GLU 28 12.793 -19.138 31.371 1.00 1.42 ATOM 430 HN GLU 28 13.211 -19.873 31.868 1.00 38.16 ATOM 431 CA GLU 28 13.174 -17.757 31.680 1.00 21.04 ATOM 432 HA GLU 28 12.261 -17.197 31.832 1.00 23.31 ATOM 433 CB GLU 28 14.001 -17.702 32.974 1.00 21.24 ATOM 434 HB1 GLU 28 13.394 -18.078 33.788 1.00 38.16 ATOM 435 HB2 GLU 28 14.257 -16.673 33.181 1.00 63.40 ATOM 436 CG GLU 28 15.289 -18.515 32.926 1.00 24.32 ATOM 437 HG1 GLU 28 15.913 -18.126 32.134 1.00 38.16 ATOM 438 HG2 GLU 28 15.042 -19.547 32.714 1.00 12.11 ATOM 439 CD GLU 28 16.060 -18.457 34.235 1.00 22.14 ATOM 440 OE1 GLU 28 15.671 -19.161 35.191 1.00 31.31 ATOM 441 OE2 GLU 28 17.053 -17.701 34.319 1.00 23.54 ATOM 442 C GLU 28 13.944 -17.109 30.518 1.00 22.12 ATOM 443 O GLU 28 14.618 -17.787 29.742 1.00 1.02 ATOM 444 N SER 29 13.830 -15.789 30.410 1.00 22.11 ATOM 445 HN SER 29 13.310 -15.305 31.085 1.00 38.16 ATOM 446 CA SER 29 14.465 -15.033 29.321 1.00 31.34 ATOM 447 HA SER 29 14.232 -15.537 28.394 1.00 22.33 ATOM 448 CB SER 29 13.894 -13.608 29.265 1.00 35.24 ATOM 449 HB1 SER 29 14.068 -13.115 30.211 1.00 38.16 ATOM 450 HB2 SER 29 12.832 -13.656 29.076 1.00 23.02 ATOM 451 OG SER 29 14.500 -12.841 28.234 1.00 52.14 ATOM 452 HG SER 29 15.271 -12.376 28.591 1.00 40.33 ATOM 453 C SER 29 15.991 -14.975 29.488 1.00 34.41 ATOM 454 O SER 29 16.497 -14.893 30.610 1.00 44.31 ATOM 455 N PRO 30 16.748 -15.030 28.374 1.00 60.03 ATOM 456 CA PRO 30 18.216 -14.923 28.410 1.00 71.23 ATOM 457 HA PRO 30 18.645 -15.612 29.124 1.00 11.21 ATOM 458 CB PRO 30 18.628 -15.327 26.992 1.00 53.53 ATOM 459 HB1 PRO 30 18.821 -16.390 26.958 1.00 38.16 ATOM 460 HB2 PRO 30 19.518 -14.787 26.698 1.00 33.52 ATOM 461 CG PRO 30 17.457 -14.962 26.144 1.00 73.24 ATOM 462 HG1 PRO 30 17.432 -15.584 25.259 1.00 38.16 ATOM 463 HG2 PRO 30 17.514 -13.918 25.866 1.00 5.22 ATOM 464 CD PRO 30 16.242 -15.213 26.996 1.00 52.45 ATOM 465 HD1 PRO 30 15.877 -16.220 26.849 1.00 38.16 ATOM 466 HD2 PRO 30 15.466 -14.495 26.770 1.00 30.20 ATOM 467 C PRO 30 18.700 -13.499 28.727 1.00 53.23 ATOM 468 O PRO 30 17.938 -12.533 28.645 1.00 13.04 ATOM 469 N LYS 31 19.975 -13.373 29.075 1.00 73.30 ATOM 470 HN LYS 31 20.545 -14.174 29.101 1.00 38.16 ATOM 471 CA LYS 31 20.556 -12.069 29.412 1.00 61.24 ATOM 472 HA LYS 31 19.760 -11.437 29.784 1.00 21.30 ATOM 473 CB LYS 31 21.608 -12.236 30.511 1.00 10.02 ATOM 474 HB1 LYS 31 21.986 -11.260 30.786 1.00 38.16 ATOM 475 HB2 LYS 31 22.425 -12.832 30.129 1.00 13.04 ATOM 476 CG LYS 31 21.069 -12.912 31.768 1.00 24.50 ATOM 477 HG1 LYS 31 21.871 -13.002 32.487 1.00 38.16 ATOM 478 HG2 LYS 31 20.709 -13.897 31.506 1.00 65.15 ATOM 479 CD LYS 31 19.924 -12.116 32.397 1.00 13.13 ATOM 480 HD1 LYS 31 19.176 -11.918 31.642 1.00 38.16 ATOM 481 HD2 LYS 31 20.312 -11.179 32.771 1.00 2.32 ATOM 482 CE LYS 31 19.272 -12.871 33.551 1.00 34.34 ATOM 483 HE1 LYS 31 18.846 -13.787 33.169 1.00 38.16 ATOM 484 HE2 LYS 31 18.487 -12.258 33.968 1.00 34.20 ATOM 485 NZ LYS 31 20.243 -13.202 34.624 1.00 61.24 ATOM 486 HZ1 LYS 31 20.735 -12.345 34.943 1.00 32.55 ATOM 487 HZ2 LYS 31 20.949 -13.881 34.275 1.00 15.34 ATOM 488 HZ3 LYS 31 19.747 -13.623 35.437 1.00 2.12 ATOM 489 C LYS 31 21.172 -11.401 28.176 1.00 40.41 ATOM 490 O LYS 31 21.614 -10.251 28.228 1.00 4.14 ATOM 491 N LYS 32 21.197 -12.139 27.072 1.00 21.21 ATOM 492 HN LYS 32 20.852 -13.057 27.113 1.00 38.16 ATOM 493 CA LYS 32 21.715 -11.638 25.797 1.00 71.12 ATOM 494 HA LYS 32 21.426 -10.601 25.702 1.00 31.14 ATOM 495 CB LYS 32 23.248 -11.738 25.769 1.00 35.35 ATOM 496 HB1 LYS 32 23.651 -11.126 26.564 1.00 38.16 ATOM 497 HB2 LYS 32 23.605 -11.360 24.821 1.00 30.22 ATOM 498 CG LYS 32 23.775 -13.158 25.947 1.00 33.44 ATOM 499 HG1 LYS 32 23.357 -13.786 25.170 1.00 38.16 ATOM 500 HG2 LYS 32 23.462 -13.529 26.913 1.00 42.25 ATOM 501 CD LYS 32 25.296 -13.215 25.865 1.00 62.53 ATOM 502 HD1 LYS 32 25.713 -12.536 26.596 1.00 38.16 ATOM 503 HD2 LYS 32 25.608 -12.914 24.874 1.00 53.54 ATOM 504 CE LYS 32 25.816 -14.618 26.140 1.00 33.05 ATOM 505 HE1 LYS 32 25.392 -15.295 25.412 1.00 38.16 ATOM 506 HE2 LYS 32 25.506 -14.917 27.131 1.00 63.21 ATOM 507 NZ LYS 32 27.297 -14.690 26.059 1.00 11.32 ATOM 508 HZ1 LYS 32 27.613 -14.478 25.093 1.00 34.41 ATOM 509 HZ2 LYS 32 27.623 -15.645 26.316 1.00 72.00 ATOM 510 HZ3 LYS 32 27.728 -14.003 26.712 1.00 44.52 ATOM 511 C LYS 32 21.116 -12.427 24.623 1.00 53.24 ATOM 512 O LYS 32 20.264 -13.297 24.818 1.00 74.14 ATOM 513 N THR 33 21.561 -12.120 23.407 1.00 15.34 ATOM 514 HN THR 33 22.212 -11.392 23.305 1.00 38.16 ATOM 515 CA THR 33 21.108 -12.846 22.214 1.00 42.42 ATOM 516 HA THR 33 20.026 -12.872 22.229 1.00 3.31 ATOM 517 CB THR 33 21.558 -12.139 20.912 1.00 70.02 ATOM 518 HB THR 33 22.637 -12.068 20.912 1.00 40.14 ATOM 519 OG1 THR 33 21.010 -10.813 20.859 1.00 64.31 ATOM 520 HG1 THR 33 20.794 -10.515 21.755 1.00 65.11 ATOM 521 CG2 THR 33 21.121 -12.920 19.672 1.00 3.31 ATOM 522 HG21 THR 33 21.566 -13.904 19.690 1.00 73.31 ATOM 523 HG22 THR 33 21.443 -12.396 18.783 1.00 10.32 ATOM 524 HG23 THR 33 20.046 -13.014 19.663 1.00 74.12 ATOM 525 C THR 33 21.640 -14.285 22.207 1.00 4.24 ATOM 526 O THR 33 22.848 -14.509 22.282 1.00 60.42 ATOM 527 N ILE 34 20.730 -15.252 22.115 1.00 32.11 ATOM 528 HN ILE 34 19.784 -15.008 22.066 1.00 38.16 ATOM 529 CA ILE 34 21.101 -16.671 22.095 1.00 13.34 ATOM 530 HA ILE 34 21.652 -16.882 23.002 1.00 14.34 ATOM 531 CB ILE 34 19.843 -17.580 22.071 1.00 61.44 ATOM 532 HB ILE 34 19.289 -17.362 21.167 1.00 11.54 ATOM 533 CG1 ILE 34 18.943 -17.300 23.285 1.00 3.54 ATOM 534 HG11 ILE 34 18.048 -17.902 23.210 1.00 38.16 ATOM 535 HG12 ILE 34 18.667 -16.255 23.289 1.00 32.21 ATOM 536 CG2 ILE 34 20.243 -19.055 22.033 1.00 20.54 ATOM 537 HG21 ILE 34 20.861 -19.283 22.890 1.00 63.42 ATOM 538 HG22 ILE 34 20.795 -19.259 21.127 1.00 25.11 ATOM 539 HG23 ILE 34 19.355 -19.671 22.058 1.00 22.23 ATOM 540 CD1 ILE 34 19.598 -17.608 24.615 1.00 72.24 ATOM 541 HD11 ILE 34 20.465 -16.977 24.747 1.00 64.12 ATOM 542 HD12 ILE 34 19.900 -18.645 24.638 1.00 63.22 ATOM 543 HD13 ILE 34 18.894 -17.422 25.412 1.00 54.34 ATOM 544 C ILE 34 21.987 -17.012 20.886 1.00 24.44 ATOM 545 O ILE 34 21.540 -16.955 19.740 1.00 33.20 ATOM 546 N SER 35 23.244 -17.362 21.151 1.00 32.14 ATOM 547 HN SER 35 23.553 -17.357 22.082 1.00 38.16 ATOM 548 CA SER 35 24.183 -17.747 20.088 1.00 70.54 ATOM 549 HA SER 35 24.183 -16.956 19.349 1.00 54.43 ATOM 550 CB SER 35 25.602 -17.899 20.651 1.00 41.34 ATOM 551 HB1 SER 35 25.927 -16.956 21.066 1.00 38.16 ATOM 552 HB2 SER 35 26.274 -18.192 19.859 1.00 3.54 ATOM 553 OG SER 35 25.645 -18.885 21.674 1.00 31.52 ATOM 554 HG SER 35 26.077 -19.682 21.331 1.00 70.44 ATOM 555 C SER 35 23.750 -19.055 19.410 1.00 12.12 ATOM 556 O SER 35 23.591 -19.112 18.191 1.00 15.31 ATOM 557 N ASP 36 23.564 -20.107 20.207 1.00 25.10 ATOM 558 HN ASP 36 23.744 -20.012 21.165 1.00 38.16 ATOM 559 CA ASP 36 23.117 -21.407 19.689 1.00 41.21 ATOM 560 HA ASP 36 23.141 -21.367 18.608 1.00 4.53 ATOM 561 CB ASP 36 24.060 -22.517 20.166 1.00 12.13 ATOM 562 HB1 ASP 36 23.809 -23.437 19.656 1.00 38.16 ATOM 563 HB2 ASP 36 23.932 -22.656 21.231 1.00 73.24 ATOM 564 CG ASP 36 25.517 -22.192 19.893 1.00 64.24 ATOM 565 OD1 ASP 36 26.158 -21.563 20.762 1.00 32.14 ATOM 566 OD2 ASP 36 26.027 -22.565 18.816 1.00 34.05 ATOM 567 C ASP 36 21.679 -21.719 20.145 1.00 61.53 ATOM 568 O ASP 36 21.468 -22.207 21.259 1.00 64.21 ATOM 569 N PRO 37 20.667 -21.437 19.298 1.00 22.02 ATOM 570 CA PRO 37 19.251 -21.650 19.658 1.00 0.14 ATOM 571 HA PRO 37 18.975 -21.054 20.519 1.00 15.31 ATOM 572 CB PRO 37 18.485 -21.149 18.420 1.00 64.41 ATOM 573 HB1 PRO 37 18.137 -20.141 18.592 1.00 38.16 ATOM 574 HB2 PRO 37 17.640 -21.795 18.223 1.00 74.24 ATOM 575 CG PRO 37 19.479 -21.196 17.306 1.00 34.45 ATOM 576 HG1 PRO 37 19.239 -20.449 16.563 1.00 38.16 ATOM 577 HG2 PRO 37 19.486 -22.182 16.858 1.00 14.11 ATOM 578 CD PRO 37 20.814 -20.898 17.934 1.00 45.41 ATOM 579 HD1 PRO 37 20.992 -19.833 17.958 1.00 38.16 ATOM 580 HD2 PRO 37 21.605 -21.404 17.400 1.00 3.03 ATOM 581 C PRO 37 18.926 -23.126 19.950 1.00 41.03 ATOM 582 O PRO 37 18.194 -23.442 20.890 1.00 51.40 ATOM 583 N GLU 38 19.483 -24.025 19.144 1.00 15.11 ATOM 584 HN GLU 38 20.067 -23.716 18.421 1.00 38.16 ATOM 585 CA GLU 38 19.252 -25.466 19.305 1.00 35.20 ATOM 586 HA GLU 38 18.184 -25.629 19.329 1.00 11.53 ATOM 587 CB GLU 38 19.838 -26.219 18.106 1.00 1.12 ATOM 588 HB1 GLU 38 19.702 -27.281 18.260 1.00 38.16 ATOM 589 HB2 GLU 38 20.896 -26.007 18.046 1.00 53.12 ATOM 590 CG GLU 38 19.196 -25.843 16.773 1.00 45.52 ATOM 591 HG1 GLU 38 19.183 -24.764 16.688 1.00 38.16 ATOM 592 HG2 GLU 38 18.181 -26.214 16.760 1.00 52.03 ATOM 593 CD GLU 38 19.934 -26.420 15.577 1.00 65.15 ATOM 594 OE1 GLU 38 20.326 -25.641 14.681 1.00 32.43 ATOM 595 OE2 GLU 38 20.134 -27.651 15.531 1.00 63.15 ATOM 596 C GLU 38 19.864 -25.996 20.613 1.00 63.31 ATOM 597 O GLU 38 19.174 -26.616 21.426 1.00 13.24 ATOM 598 N GLY 39 21.161 -25.750 20.807 1.00 41.32 ATOM 599 HN GLY 39 21.672 -25.295 20.103 1.00 38.16 ATOM 600 CA GLY 39 21.837 -26.165 22.035 1.00 54.52 ATOM 601 HA1 GLY 39 22.867 -25.838 21.990 1.00 38.16 ATOM 602 HA2 GLY 39 21.820 -27.243 22.094 1.00 31.03 ATOM 603 C GLY 39 21.194 -25.592 23.296 1.00 70.42 ATOM 604 O GLY 39 21.096 -26.276 24.321 1.00 41.24 ATOM 605 N PHE 40 20.759 -24.333 23.219 1.00 21.23 ATOM 606 HN PHE 40 20.919 -23.828 22.393 1.00 38.16 ATOM 607 CA PHE 40 20.066 -23.671 24.332 1.00 55.14 ATOM 608 HA PHE 40 20.733 -23.680 25.185 1.00 2.34 ATOM 609 CB PHE 40 19.758 -22.211 23.959 1.00 32.12 ATOM 610 HB1 PHE 40 19.142 -22.198 23.070 1.00 38.16 ATOM 611 HB2 PHE 40 20.688 -21.702 23.747 1.00 20.01 ATOM 612 CG PHE 40 19.041 -21.434 25.039 1.00 55.21 ATOM 613 CD1 PHE 40 19.718 -21.001 26.171 1.00 13.04 ATOM 614 HD1 PHE 40 20.770 -21.229 26.280 1.00 52.32 ATOM 615 CD2 PHE 40 17.691 -21.132 24.917 1.00 61.04 ATOM 616 HD2 PHE 40 17.149 -21.461 24.040 1.00 33.32 ATOM 617 CE1 PHE 40 19.064 -20.286 27.158 1.00 21.50 ATOM 618 HE1 PHE 40 19.602 -19.956 28.033 1.00 3.20 ATOM 619 CE2 PHE 40 17.034 -20.418 25.901 1.00 55.33 ATOM 620 HE2 PHE 40 15.984 -20.191 25.792 1.00 32.33 ATOM 621 CZ PHE 40 17.721 -19.995 27.022 1.00 1.14 ATOM 622 HZ PHE 40 17.208 -19.436 27.792 1.00 14.01 ATOM 623 C PHE 40 18.771 -24.414 24.710 1.00 31.33 ATOM 624 O PHE 40 18.517 -24.679 25.888 1.00 71.12 ATOM 625 N LEU 41 17.956 -24.749 23.707 1.00 32.05 ATOM 626 HN LEU 41 18.196 -24.487 22.791 1.00 38.16 ATOM 627 CA LEU 41 16.709 -25.490 23.934 1.00 61.42 ATOM 628 HA LEU 41 16.120 -24.930 24.647 1.00 23.34 ATOM 629 CB LEU 41 15.913 -25.609 22.626 1.00 32.12 ATOM 630 HB1 LEU 41 15.071 -26.267 22.799 1.00 38.16 ATOM 631 HB2 LEU 41 16.553 -26.065 21.881 1.00 52.14 ATOM 632 CG LEU 41 15.377 -24.285 22.054 1.00 21.35 ATOM 633 HG LEU 41 16.210 -23.626 21.848 1.00 50.15 ATOM 634 CD1 LEU 41 14.640 -24.527 20.739 1.00 73.12 ATOM 635 HD11 LEU 41 14.267 -23.588 20.354 1.00 35.32 ATOM 636 HD12 LEU 41 13.811 -25.200 20.906 1.00 55.53 ATOM 637 HD13 LEU 41 15.319 -24.964 20.021 1.00 3.12 ATOM 638 CD2 LEU 41 14.466 -23.591 23.066 1.00 75.04 ATOM 639 HD21 LEU 41 15.031 -23.354 23.956 1.00 14.31 ATOM 640 HD22 LEU 41 13.647 -24.247 23.325 1.00 22.43 ATOM 641 HD23 LEU 41 14.074 -22.680 22.637 1.00 73.13 ATOM 642 C LEU 41 16.979 -26.888 24.514 1.00 51.12 ATOM 643 O LEU 41 16.429 -27.252 25.552 1.00 31.44 ATOM 644 N GLN 42 17.839 -27.657 23.844 1.00 74.31 ATOM 645 HN GLN 42 18.251 -27.304 23.025 1.00 38.16 ATOM 646 CA GLN 42 18.187 -29.017 24.287 1.00 3.21 ATOM 647 HA GLN 42 17.305 -29.633 24.181 1.00 10.12 ATOM 648 CB GLN 42 19.303 -29.585 23.385 1.00 1.42 ATOM 649 HB1 GLN 42 20.218 -29.043 23.587 1.00 38.16 ATOM 650 HB2 GLN 42 19.026 -29.414 22.354 1.00 33.15 ATOM 651 CG GLN 42 19.591 -31.086 23.548 1.00 24.01 ATOM 652 HG1 GLN 42 20.119 -31.431 22.669 1.00 38.16 ATOM 653 HG2 GLN 42 18.649 -31.611 23.620 1.00 31.22 ATOM 654 CD GLN 42 20.426 -31.431 24.777 1.00 61.01 ATOM 655 OE1 GLN 42 21.651 -31.400 24.737 1.00 12.35 ATOM 656 NE2 GLN 42 19.775 -31.801 25.863 1.00 75.24 ATOM 657 HE21 GLN 42 18.798 -31.837 25.829 1.00 71.43 ATOM 658 HE22 GLN 42 20.299 -32.026 26.656 1.00 24.33 ATOM 659 C GLN 42 18.618 -29.025 25.763 1.00 61.40 ATOM 660 O GLN 42 18.123 -29.822 26.560 1.00 5.23 ATOM 661 N ALA 43 19.523 -28.117 26.120 1.00 4.51 ATOM 662 HN ALA 43 19.868 -27.497 25.441 1.00 38.16 ATOM 663 CA ALA 43 20.020 -28.019 27.497 1.00 51.11 ATOM 664 HA ALA 43 20.441 -28.980 27.764 1.00 22.22 ATOM 665 CB ALA 43 21.135 -26.981 27.578 1.00 14.15 ATOM 666 HB1 ALA 43 21.913 -27.231 26.869 1.00 34.24 ATOM 667 HB2 ALA 43 21.552 -26.972 28.575 1.00 43.22 ATOM 668 HB3 ALA 43 20.738 -26.003 27.346 1.00 62.24 ATOM 669 C ALA 43 18.898 -27.674 28.494 1.00 61.14 ATOM 670 O ALA 43 18.848 -28.214 29.599 1.00 72.01 ATOM 671 N SER 44 17.998 -26.778 28.091 1.00 74.32 ATOM 672 HN SER 44 18.075 -26.403 27.188 1.00 38.16 ATOM 673 CA SER 44 16.893 -26.331 28.960 1.00 4.25 ATOM 674 HA SER 44 17.307 -26.113 29.934 1.00 54.24 ATOM 675 CB SER 44 16.260 -25.049 28.396 1.00 50.15 ATOM 676 HB1 SER 44 15.489 -24.703 29.071 1.00 38.16 ATOM 677 HB2 SER 44 15.821 -25.259 27.431 1.00 71.32 ATOM 678 OG SER 44 17.227 -24.017 28.241 1.00 63.40 ATOM 679 HG SER 44 17.443 -23.922 27.305 1.00 40.03 ATOM 680 C SER 44 15.812 -27.412 29.118 1.00 52.25 ATOM 681 O SER 44 15.200 -27.547 30.179 1.00 74.44 ATOM 682 N LEU 45 15.585 -28.183 28.060 1.00 63.35 ATOM 683 HN LEU 45 16.134 -28.061 27.258 1.00 38.16 ATOM 684 CA LEU 45 14.538 -29.213 28.056 1.00 54.24 ATOM 685 HA LEU 45 13.765 -28.907 28.747 1.00 63.20 ATOM 686 CB LEU 45 13.930 -29.323 26.649 1.00 74.22 ATOM 687 HB1 LEU 45 13.112 -30.028 26.688 1.00 38.16 ATOM 688 HB2 LEU 45 14.688 -29.715 25.982 1.00 12.42 ATOM 689 CG LEU 45 13.399 -28.003 26.059 1.00 41.31 ATOM 690 HG LEU 45 14.217 -27.298 25.984 1.00 1.23 ATOM 691 CD1 LEU 45 12.849 -28.224 24.653 1.00 12.24 ATOM 692 HD11 LEU 45 13.622 -28.643 24.025 1.00 42.10 ATOM 693 HD12 LEU 45 12.525 -27.280 24.239 1.00 33.33 ATOM 694 HD13 LEU 45 12.011 -28.905 24.694 1.00 25.42 ATOM 695 CD2 LEU 45 12.336 -27.392 26.970 1.00 33.22 ATOM 696 HD21 LEU 45 11.977 -26.469 26.540 1.00 44.40 ATOM 697 HD22 LEU 45 12.766 -27.190 27.941 1.00 31.35 ATOM 698 HD23 LEU 45 11.512 -28.083 27.080 1.00 5.31 ATOM 699 C LEU 45 15.084 -30.582 28.502 1.00 51.22 ATOM 700 O LEU 45 14.325 -31.541 28.650 1.00 63.13 ATOM 701 N LYS 46 16.396 -30.649 28.737 1.00 21.33 ATOM 702 HN LYS 46 16.926 -29.826 28.671 1.00 38.16 ATOM 703 CA LYS 46 17.084 -31.902 29.084 1.00 61.35 ATOM 704 HA LYS 46 17.060 -32.540 28.211 1.00 53.51 ATOM 705 CB LYS 46 18.550 -31.597 29.426 1.00 23.11 ATOM 706 HB1 LYS 46 18.574 -30.896 30.249 1.00 38.16 ATOM 707 HB2 LYS 46 19.020 -31.140 28.566 1.00 4.42 ATOM 708 CG LYS 46 19.369 -32.822 29.819 1.00 70.44 ATOM 709 HG1 LYS 46 19.330 -33.543 29.014 1.00 38.16 ATOM 710 HG2 LYS 46 18.940 -33.257 30.712 1.00 62.12 ATOM 711 CD LYS 46 20.828 -32.465 30.096 1.00 41.11 ATOM 712 HD1 LYS 46 20.869 -31.760 30.916 1.00 38.16 ATOM 713 HD2 LYS 46 21.252 -32.012 29.211 1.00 60.22 ATOM 714 CE LYS 46 21.645 -33.698 30.459 1.00 40.13 ATOM 715 HE1 LYS 46 21.545 -34.427 29.669 1.00 38.16 ATOM 716 HE2 LYS 46 21.261 -34.113 31.379 1.00 74.12 ATOM 717 NZ LYS 46 23.085 -33.382 30.642 1.00 14.44 ATOM 718 HZ1 LYS 46 23.618 -34.254 30.832 1.00 34.31 ATOM 719 HZ2 LYS 46 23.212 -32.732 31.443 1.00 22.35 ATOM 720 HZ3 LYS 46 23.466 -32.937 29.783 1.00 71.04 ATOM 721 C LYS 46 16.415 -32.650 30.257 1.00 41.03 ATOM 722 O LYS 46 16.107 -33.838 30.152 1.00 74.03 ATOM 723 N ASP 47 16.194 -31.951 31.371 1.00 53.11 ATOM 724 HN ASP 47 16.435 -31.001 31.392 1.00 38.16 ATOM 725 CA ASP 47 15.616 -32.572 32.575 1.00 41.12 ATOM 726 HA ASP 47 16.072 -33.547 32.686 1.00 54.32 ATOM 727 CB ASP 47 15.957 -31.732 33.811 1.00 21.23 ATOM 728 HB1 ASP 47 15.469 -32.160 34.678 1.00 38.16 ATOM 729 HB2 ASP 47 15.598 -30.723 33.665 1.00 3.32 ATOM 730 CG ASP 47 17.452 -31.685 34.076 1.00 41.45 ATOM 731 OD1 ASP 47 17.991 -32.672 34.622 1.00 2.14 ATOM 732 OD2 ASP 47 18.093 -30.668 33.738 1.00 42.33 ATOM 733 C ASP 47 14.088 -32.766 32.469 1.00 61.34 ATOM 734 O ASP 47 13.451 -33.247 33.410 1.00 52.44 ATOM 735 N GLY 48 13.502 -32.374 31.337 1.00 3.41 ATOM 736 HN GLY 48 14.050 -31.969 30.633 1.00 38.16 ATOM 737 CA GLY 48 12.067 -32.569 31.115 1.00 14.42 ATOM 738 HA1 GLY 48 11.801 -33.570 31.429 1.00 38.16 ATOM 739 HA2 GLY 48 11.874 -32.483 30.056 1.00 2.43 ATOM 740 C GLY 48 11.165 -31.572 31.853 1.00 70.24 ATOM 741 O GLY 48 10.088 -31.235 31.364 1.00 62.31 ATOM 742 N VAL 49 11.606 -31.100 33.024 1.00 32.41 ATOM 743 HN VAL 49 12.491 -31.377 33.336 1.00 38.16 ATOM 744 CA VAL 49 10.803 -30.200 33.876 1.00 15.31 ATOM 745 HA VAL 49 10.016 -30.795 34.320 1.00 50.21 ATOM 746 CB VAL 49 11.658 -29.609 35.028 1.00 44.44 ATOM 747 HB VAL 49 12.428 -28.985 34.591 1.00 2.14 ATOM 748 CG1 VAL 49 10.806 -28.734 35.948 1.00 25.03 ATOM 749 HG11 VAL 49 10.012 -29.328 36.377 1.00 52.24 ATOM 750 HG12 VAL 49 10.378 -27.921 35.380 1.00 0.12 ATOM 751 HG13 VAL 49 11.423 -28.332 36.740 1.00 13.25 ATOM 752 CG2 VAL 49 12.345 -30.724 35.818 1.00 74.13 ATOM 753 HG21 VAL 49 12.995 -31.284 35.161 1.00 2.33 ATOM 754 HG22 VAL 49 11.598 -31.384 36.233 1.00 23.21 ATOM 755 HG23 VAL 49 12.929 -30.293 36.620 1.00 25.13 ATOM 756 C VAL 49 10.150 -29.044 33.087 1.00 32.32 ATOM 757 O VAL 49 8.954 -28.779 33.234 1.00 25.53 ATOM 758 N VAL 50 10.934 -28.358 32.253 1.00 45.04 ATOM 759 HN VAL 50 11.885 -28.583 32.196 1.00 38.16 ATOM 760 CA VAL 50 10.402 -27.261 31.427 1.00 52.31 ATOM 761 HA VAL 50 9.988 -26.520 32.099 1.00 62.21 ATOM 762 CB VAL 50 11.518 -26.580 30.591 1.00 0.11 ATOM 763 HB VAL 50 11.949 -27.323 29.933 1.00 55.44 ATOM 764 CG1 VAL 50 10.949 -25.453 29.724 1.00 0.42 ATOM 765 HG11 VAL 50 11.749 -24.989 29.163 1.00 10.44 ATOM 766 HG12 VAL 50 10.478 -24.712 30.356 1.00 51.24 ATOM 767 HG13 VAL 50 10.218 -25.857 29.039 1.00 52.24 ATOM 768 CG2 VAL 50 12.627 -26.052 31.502 1.00 14.31 ATOM 769 HG21 VAL 50 13.049 -26.870 32.069 1.00 41.00 ATOM 770 HG22 VAL 50 12.220 -25.317 32.182 1.00 21.21 ATOM 771 HG23 VAL 50 13.402 -25.595 30.902 1.00 63.43 ATOM 772 C VAL 50 9.281 -27.750 30.489 1.00 70.32 ATOM 773 O VAL 50 8.270 -27.070 30.307 1.00 11.43 ATOM 774 N LEU 51 9.460 -28.941 29.914 1.00 52.21 ATOM 775 HN LEU 51 10.290 -29.432 30.085 1.00 38.16 ATOM 776 CA LEU 51 8.440 -29.546 29.047 1.00 53.12 ATOM 777 HA LEU 51 8.210 -28.835 28.265 1.00 3.54 ATOM 778 CB LEU 51 8.976 -30.834 28.408 1.00 45.43 ATOM 779 HB1 LEU 51 8.158 -31.327 27.900 1.00 38.16 ATOM 780 HB2 LEU 51 9.324 -31.481 29.201 1.00 22.50 ATOM 781 CG LEU 51 10.123 -30.646 27.404 1.00 74.42 ATOM 782 HG LEU 51 10.943 -30.142 27.895 1.00 62.13 ATOM 783 CD1 LEU 51 10.638 -31.998 26.911 1.00 71.43 ATOM 784 HD11 LEU 51 9.845 -32.525 26.399 1.00 4.43 ATOM 785 HD12 LEU 51 10.974 -32.585 27.754 1.00 32.50 ATOM 786 HD13 LEU 51 11.464 -31.843 26.231 1.00 14.22 ATOM 787 CD2 LEU 51 9.673 -29.779 26.229 1.00 60.11 ATOM 788 HD21 LEU 51 10.491 -29.662 25.533 1.00 55.10 ATOM 789 HD22 LEU 51 9.372 -28.807 26.592 1.00 62.23 ATOM 790 HD23 LEU 51 8.838 -30.249 25.727 1.00 12.44 ATOM 791 C LEU 51 7.153 -29.849 29.830 1.00 52.31 ATOM 792 O LEU 51 6.046 -29.676 29.318 1.00 11.32 ATOM 793 N CYS 52 7.309 -30.305 31.072 1.00 22.23 ATOM 794 HN CYS 52 8.217 -30.476 31.406 1.00 38.16 ATOM 795 CA CYS 52 6.164 -30.569 31.950 1.00 54.21 ATOM 796 HA CYS 52 5.534 -31.299 31.460 1.00 41.53 ATOM 797 CB CYS 52 6.644 -31.143 33.285 1.00 15.11 ATOM 798 HB1 CYS 52 5.787 -31.402 33.891 1.00 38.16 ATOM 799 HB2 CYS 52 7.233 -30.398 33.801 1.00 5.42 ATOM 800 SG CYS 52 7.667 -32.627 33.117 1.00 32.13 ATOM 801 HG CYS 52 6.880 -33.684 33.250 1.00 34.41 ATOM 802 C CYS 52 5.347 -29.288 32.185 1.00 41.22 ATOM 803 O CYS 52 4.130 -29.265 31.981 1.00 63.01 ATOM 804 N ARG 53 6.030 -28.217 32.596 1.00 43.15 ATOM 805 HN ARG 53 6.985 -28.313 32.804 1.00 38.16 ATOM 806 CA ARG 53 5.388 -26.904 32.759 1.00 60.41 ATOM 807 HA ARG 53 4.611 -27.008 33.504 1.00 31.13 ATOM 808 CB ARG 53 6.407 -25.859 33.242 1.00 50.12 ATOM 809 HB1 ARG 53 5.922 -24.893 33.280 1.00 38.16 ATOM 810 HB2 ARG 53 7.218 -25.813 32.528 1.00 74.50 ATOM 811 CG ARG 53 7.001 -26.152 34.620 1.00 21.21 ATOM 812 HG1 ARG 53 7.546 -27.084 34.574 1.00 38.16 ATOM 813 HG2 ARG 53 6.198 -26.238 35.337 1.00 33.41 ATOM 814 CD ARG 53 7.951 -25.043 35.072 1.00 42.22 ATOM 815 HD1 ARG 53 7.403 -24.111 35.108 1.00 38.16 ATOM 816 HD2 ARG 53 8.750 -24.958 34.350 1.00 13.41 ATOM 817 NE ARG 53 8.535 -25.304 36.391 1.00 22.25 ATOM 818 HE ARG 53 8.725 -26.234 36.629 1.00 31.51 ATOM 819 CZ ARG 53 8.840 -24.365 37.252 1.00 33.03 ATOM 820 NH1 ARG 53 8.570 -23.126 36.993 1.00 52.44 ATOM 821 HH11 ARG 53 8.130 -22.884 36.134 1.00 65.15 ATOM 822 HH12 ARG 53 8.805 -22.415 37.653 1.00 32.01 ATOM 823 NH2 ARG 53 9.403 -24.671 38.375 1.00 4.00 ATOM 824 HH21 ARG 53 9.610 -25.623 38.584 1.00 50.25 ATOM 825 HH22 ARG 53 9.632 -23.956 39.028 1.00 54.11 ATOM 826 C ARG 53 4.749 -26.435 31.439 1.00 53.33 ATOM 827 O ARG 53 3.659 -25.852 31.428 1.00 34.42 ATOM 828 N LEU 54 5.444 -26.696 30.332 1.00 44.35 ATOM 829 HN LEU 54 6.325 -27.120 30.422 1.00 38.16 ATOM 830 CA LEU 54 4.954 -26.365 28.988 1.00 44.22 ATOM 831 HA LEU 54 4.837 -25.293 28.932 1.00 12.52 ATOM 832 CB LEU 54 5.986 -26.809 27.937 1.00 54.52 ATOM 833 HB1 LEU 54 6.178 -27.864 28.082 1.00 38.16 ATOM 834 HB2 LEU 54 6.905 -26.270 28.121 1.00 60.13 ATOM 835 CG LEU 54 5.587 -26.593 26.467 1.00 10.44 ATOM 836 HG LEU 54 4.649 -27.098 26.279 1.00 13.41 ATOM 837 CD1 LEU 54 5.384 -25.110 26.166 1.00 73.52 ATOM 838 HD11 LEU 54 6.300 -24.571 26.362 1.00 11.25 ATOM 839 HD12 LEU 54 4.595 -24.719 26.792 1.00 53.50 ATOM 840 HD13 LEU 54 5.110 -24.988 25.127 1.00 0.13 ATOM 841 CD2 LEU 54 6.639 -27.196 25.536 1.00 42.50 ATOM 842 HD21 LEU 54 7.590 -26.710 25.699 1.00 71.34 ATOM 843 HD22 LEU 54 6.335 -27.056 24.508 1.00 72.04 ATOM 844 HD23 LEU 54 6.736 -28.253 25.739 1.00 73.43 ATOM 845 C LEU 54 3.597 -27.024 28.705 1.00 2.13 ATOM 846 O LEU 54 2.643 -26.359 28.294 1.00 3.13 ATOM 847 N LEU 55 3.514 -28.329 28.940 1.00 64.45 ATOM 848 HN LEU 55 4.298 -28.802 29.294 1.00 38.16 ATOM 849 CA LEU 55 2.287 -29.081 28.678 1.00 13.23 ATOM 850 HA LEU 55 1.996 -28.880 27.655 1.00 75.24 ATOM 851 CB LEU 55 2.551 -30.587 28.825 1.00 71.21 ATOM 852 HB1 LEU 55 2.734 -30.799 29.869 1.00 38.16 ATOM 853 HB2 LEU 55 3.447 -30.826 28.268 1.00 31.41 ATOM 854 CG LEU 55 1.418 -31.509 28.339 1.00 30.13 ATOM 855 HG LEU 55 0.529 -31.315 28.924 1.00 65.42 ATOM 856 CD1 LEU 55 1.083 -31.228 26.874 1.00 21.34 ATOM 857 HD11 LEU 55 0.758 -30.203 26.769 1.00 2.35 ATOM 858 HD12 LEU 55 0.291 -31.888 26.551 1.00 72.14 ATOM 859 HD13 LEU 55 1.959 -31.393 26.262 1.00 50.55 ATOM 860 CD2 LEU 55 1.799 -32.977 28.532 1.00 60.43 ATOM 861 HD21 LEU 55 1.955 -33.173 29.584 1.00 72.31 ATOM 862 HD22 LEU 55 2.707 -33.193 27.988 1.00 10.41 ATOM 863 HD23 LEU 55 1.001 -33.607 28.165 1.00 52.50 ATOM 864 C LEU 55 1.140 -28.630 29.603 1.00 52.32 ATOM 865 O LEU 55 -0.022 -28.691 29.224 1.00 42.55 ATOM 866 N GLU 56 1.475 -28.166 30.809 1.00 73.22 ATOM 867 HN GLU 56 2.415 -28.202 31.090 1.00 38.16 ATOM 868 CA GLU 56 0.468 -27.626 31.741 1.00 52.11 ATOM 869 HA GLU 56 -0.358 -28.324 31.760 1.00 52.53 ATOM 870 CB GLU 56 1.047 -27.518 33.159 1.00 54.24 ATOM 871 HB1 GLU 56 0.408 -26.876 33.750 1.00 38.16 ATOM 872 HB2 GLU 56 2.030 -27.075 33.102 1.00 52.11 ATOM 873 CG GLU 56 1.168 -28.857 33.878 1.00 42.42 ATOM 874 HG1 GLU 56 1.689 -28.705 34.814 1.00 38.16 ATOM 875 HG2 GLU 56 1.740 -29.534 33.259 1.00 52.33 ATOM 876 CD GLU 56 -0.190 -29.487 34.173 1.00 3.52 ATOM 877 OE1 GLU 56 -0.662 -30.321 33.369 1.00 51.24 ATOM 878 OE2 GLU 56 -0.794 -29.142 35.212 1.00 43.21 ATOM 879 C GLU 56 -0.075 -26.257 31.287 1.00 31.23 ATOM 880 O GLU 56 -1.211 -25.896 31.601 1.00 74.40 ATOM 881 N ARG 57 0.743 -25.485 30.573 1.00 50.31 ATOM 882 HN ARG 57 1.677 -25.767 30.447 1.00 38.16 ATOM 883 CA ARG 57 0.284 -24.219 29.982 1.00 14.21 ATOM 884 HA ARG 57 -0.214 -23.651 30.757 1.00 73.03 ATOM 885 CB ARG 57 1.477 -23.407 29.450 1.00 52.35 ATOM 886 HB1 ARG 57 1.103 -22.569 28.878 1.00 38.16 ATOM 887 HB2 ARG 57 2.064 -24.039 28.799 1.00 10.54 ATOM 888 CG ARG 57 2.395 -22.868 30.539 1.00 43.42 ATOM 889 HG1 ARG 57 3.271 -22.438 30.074 1.00 38.16 ATOM 890 HG2 ARG 57 2.694 -23.685 31.179 1.00 60.30 ATOM 891 CD ARG 57 1.713 -21.800 31.389 1.00 45.44 ATOM 892 HD1 ARG 57 0.792 -22.203 31.785 1.00 38.16 ATOM 893 HD2 ARG 57 1.491 -20.946 30.763 1.00 73.02 ATOM 894 NE ARG 57 2.558 -21.370 32.498 1.00 11.22 ATOM 895 HE ARG 57 3.073 -22.059 32.960 1.00 60.22 ATOM 896 CZ ARG 57 2.652 -20.139 32.922 1.00 31.45 ATOM 897 NH1 ARG 57 2.015 -19.181 32.324 1.00 61.41 ATOM 898 HH11 ARG 57 1.446 -19.383 31.530 1.00 21.43 ATOM 899 HH12 ARG 57 2.094 -18.247 32.658 1.00 23.31 ATOM 900 NH2 ARG 57 3.395 -19.863 33.940 1.00 24.21 ATOM 901 HH21 ARG 57 3.896 -20.590 34.404 1.00 64.41 ATOM 902 HH22 ARG 57 3.464 -18.924 34.262 1.00 52.54 ATOM 903 C ARG 57 -0.709 -24.474 28.840 1.00 65.13 ATOM 904 O ARG 57 -1.720 -23.782 28.705 1.00 43.01 ATOM 905 N LEU 58 -0.406 -25.478 28.028 1.00 72.24 ATOM 906 HN LEU 58 0.377 -26.031 28.236 1.00 38.16 ATOM 907 CA LEU 58 -1.196 -25.791 26.833 1.00 51.43 ATOM 908 HA LEU 58 -1.566 -24.861 26.425 1.00 24.50 ATOM 909 CB LEU 58 -0.281 -26.454 25.798 1.00 73.24 ATOM 910 HB1 LEU 58 -0.837 -26.583 24.881 1.00 38.16 ATOM 911 HB2 LEU 58 0.004 -27.430 26.169 1.00 1.25 ATOM 912 CG LEU 58 0.998 -25.660 25.481 1.00 53.25 ATOM 913 HG LEU 58 1.543 -25.494 26.400 1.00 13.42 ATOM 914 CD1 LEU 58 1.908 -26.444 24.544 1.00 22.23 ATOM 915 HD11 LEU 58 2.827 -25.897 24.392 1.00 35.32 ATOM 916 HD12 LEU 58 1.415 -26.587 23.593 1.00 44.45 ATOM 917 HD13 LEU 58 2.132 -27.407 24.980 1.00 31.15 ATOM 918 CD2 LEU 58 0.654 -24.294 24.890 1.00 32.11 ATOM 919 HD21 LEU 58 0.100 -23.717 25.616 1.00 74.24 ATOM 920 HD22 LEU 58 0.053 -24.424 24.002 1.00 72.24 ATOM 921 HD23 LEU 58 1.564 -23.770 24.634 1.00 21.34 ATOM 922 C LEU 58 -2.394 -26.700 27.162 1.00 53.13 ATOM 923 O LEU 58 -3.538 -26.389 26.828 1.00 1.44 ATOM 924 N LEU 59 -2.114 -27.830 27.808 1.00 13.44 ATOM 925 HN LEU 59 -1.178 -28.051 27.982 1.00 38.16 ATOM 926 CA LEU 59 -3.156 -28.759 28.270 1.00 5.43 ATOM 927 HA LEU 59 -4.117 -28.365 27.967 1.00 55.22 ATOM 928 CB LEU 59 -2.961 -30.143 27.628 1.00 21.11 ATOM 929 HB1 LEU 59 -3.729 -30.803 28.007 1.00 38.16 ATOM 930 HB2 LEU 59 -1.998 -30.526 27.939 1.00 13.14 ATOM 931 CG LEU 59 -3.018 -30.172 26.092 1.00 2.11 ATOM 932 HG LEU 59 -2.246 -29.526 25.700 1.00 34.23 ATOM 933 CD1 LEU 59 -2.757 -31.583 25.569 1.00 53.35 ATOM 934 HD11 LEU 59 -3.510 -32.256 25.952 1.00 0.14 ATOM 935 HD12 LEU 59 -1.780 -31.914 25.893 1.00 13.14 ATOM 936 HD13 LEU 59 -2.793 -31.580 24.489 1.00 52.14 ATOM 937 CD2 LEU 59 -4.365 -29.654 25.589 1.00 40.53 ATOM 938 HD21 LEU 59 -5.162 -30.258 25.999 1.00 10.42 ATOM 939 HD22 LEU 59 -4.392 -29.709 24.511 1.00 11.55 ATOM 940 HD23 LEU 59 -4.496 -28.626 25.898 1.00 71.32 ATOM 941 C LEU 59 -3.133 -28.879 29.807 1.00 33.21 ATOM 942 O LEU 59 -2.508 -29.786 30.360 1.00 44.52 ATOM 943 N PRO 60 -3.813 -27.956 30.516 1.00 11.20 ATOM 944 CA PRO 60 -3.783 -27.899 31.991 1.00 11.02 ATOM 945 HA PRO 60 -2.772 -27.763 32.351 1.00 43.52 ATOM 946 CB PRO 60 -4.609 -26.642 32.317 1.00 15.30 ATOM 947 HB1 PRO 60 -3.945 -25.802 32.473 1.00 38.16 ATOM 948 HB2 PRO 60 -5.197 -26.808 33.210 1.00 22.31 ATOM 949 CG PRO 60 -5.476 -26.432 31.122 1.00 53.10 ATOM 950 HG1 PRO 60 -5.720 -25.384 31.022 1.00 38.16 ATOM 951 HG2 PRO 60 -6.380 -27.019 31.215 1.00 65.42 ATOM 952 CD PRO 60 -4.667 -26.898 29.942 1.00 31.35 ATOM 953 HD1 PRO 60 -4.066 -26.090 29.549 1.00 38.16 ATOM 954 HD2 PRO 60 -5.315 -27.297 29.173 1.00 45.13 ATOM 955 C PRO 60 -4.390 -29.143 32.668 1.00 34.23 ATOM 956 O PRO 60 -5.553 -29.489 32.442 1.00 63.22 ATOM 957 N GLY 61 -3.591 -29.808 33.501 1.00 33.10 ATOM 958 HN GLY 61 -2.666 -29.503 33.624 1.00 38.16 ATOM 959 CA GLY 61 -4.061 -30.985 34.223 1.00 42.51 ATOM 960 HA1 GLY 61 -5.137 -30.934 34.319 1.00 38.16 ATOM 961 HA2 GLY 61 -3.626 -30.976 35.211 1.00 41.22 ATOM 962 C GLY 61 -3.688 -32.296 33.543 1.00 64.43 ATOM 963 O GLY 61 -4.301 -33.335 33.796 1.00 43.31 ATOM 964 N THR 62 -2.683 -32.252 32.673 1.00 32.21 ATOM 965 HN THR 62 -2.245 -31.389 32.495 1.00 38.16 ATOM 966 CA THR 62 -2.207 -33.453 31.976 1.00 4.23 ATOM 967 HA THR 62 -3.015 -34.173 31.955 1.00 4.25 ATOM 968 CB THR 62 -1.801 -33.142 30.517 1.00 64.24 ATOM 969 HB THR 62 -0.984 -32.433 30.526 1.00 23.02 ATOM 970 OG1 THR 62 -2.910 -32.567 29.809 1.00 53.34 ATOM 971 HG1 THR 62 -2.910 -31.612 29.939 1.00 71.40 ATOM 972 CG2 THR 62 -1.344 -34.404 29.794 1.00 71.03 ATOM 973 HG21 THR 62 -1.083 -34.161 28.775 1.00 32.02 ATOM 974 HG22 THR 62 -2.142 -35.132 29.797 1.00 1.10 ATOM 975 HG23 THR 62 -0.480 -34.817 30.298 1.00 0.14 ATOM 976 C THR 62 -1.011 -34.072 32.706 1.00 31.24 ATOM 977 O THR 62 -0.921 -35.294 32.856 1.00 20.32 ATOM 978 N ILE 63 -0.097 -33.219 33.167 1.00 22.31 ATOM 979 HN ILE 63 -0.217 -32.257 33.006 1.00 38.16 ATOM 980 CA ILE 63 1.068 -33.674 33.926 1.00 21.12 ATOM 981 HA ILE 63 1.540 -34.475 33.372 1.00 75.54 ATOM 982 CB ILE 63 2.101 -32.533 34.116 1.00 72.42 ATOM 983 HB ILE 63 1.626 -31.749 34.690 1.00 73.23 ATOM 984 CG1 ILE 63 2.526 -31.956 32.754 1.00 15.20 ATOM 985 HG11 ILE 63 3.218 -31.142 32.918 1.00 38.16 ATOM 986 HG12 ILE 63 1.652 -31.575 32.245 1.00 75.51 ATOM 987 CG2 ILE 63 3.318 -33.019 34.906 1.00 45.23 ATOM 988 HG21 ILE 63 3.005 -33.346 35.888 1.00 20.24 ATOM 989 HG22 ILE 63 4.029 -32.211 35.008 1.00 40.32 ATOM 990 HG23 ILE 63 3.784 -33.843 34.385 1.00 51.51 ATOM 991 CD1 ILE 63 3.193 -32.955 31.833 1.00 23.10 ATOM 992 HD11 ILE 63 3.439 -32.471 30.899 1.00 60.13 ATOM 993 HD12 ILE 63 2.522 -33.779 31.645 1.00 23.23 ATOM 994 HD13 ILE 63 4.098 -33.324 32.294 1.00 43.45 ATOM 995 C ILE 63 0.638 -34.201 35.301 1.00 62.34 ATOM 996 O ILE 63 0.333 -33.423 36.208 1.00 45.44 ATOM 997 N GLU 64 0.604 -35.519 35.454 1.00 43.14 ATOM 998 HN GLU 64 0.901 -36.096 34.715 1.00 38.16 ATOM 999 CA GLU 64 0.147 -36.131 36.703 1.00 74.15 ATOM 1000 HA GLU 64 -0.683 -35.541 37.071 1.00 13.22 ATOM 1001 CB GLU 64 -0.338 -37.568 36.463 1.00 62.14 ATOM 1002 HB1 GLU 64 0.514 -38.192 36.230 1.00 38.16 ATOM 1003 HB2 GLU 64 -1.018 -37.574 35.622 1.00 10.21 ATOM 1004 CG GLU 64 -1.056 -38.166 37.669 1.00 50.51 ATOM 1005 HG1 GLU 64 -1.954 -37.591 37.855 1.00 38.16 ATOM 1006 HG2 GLU 64 -0.406 -38.091 38.529 1.00 2.45 ATOM 1007 CD GLU 64 -1.445 -39.623 37.481 1.00 11.02 ATOM 1008 OE1 GLU 64 -2.384 -39.901 36.711 1.00 61.13 ATOM 1009 OE2 GLU 64 -0.827 -40.496 38.129 1.00 15.43 ATOM 1010 C GLU 64 1.258 -36.122 37.764 1.00 52.23 ATOM 1011 O GLU 64 1.017 -35.799 38.931 1.00 4.10 ATOM 1012 N LYS 65 2.474 -36.481 37.359 1.00 53.55 ATOM 1013 HN LYS 65 2.608 -36.752 36.421 1.00 38.16 ATOM 1014 CA LYS 65 3.618 -36.481 38.273 1.00 52.43 ATOM 1015 HA LYS 65 3.416 -35.754 39.051 1.00 12.31 ATOM 1016 CB LYS 65 3.795 -37.858 38.926 1.00 25.44 ATOM 1017 HB1 LYS 65 3.964 -38.594 38.152 1.00 38.16 ATOM 1018 HB2 LYS 65 2.889 -38.111 39.459 1.00 71.25 ATOM 1019 CG LYS 65 4.963 -37.914 39.907 1.00 43.21 ATOM 1020 HG1 LYS 65 4.831 -37.138 40.649 1.00 38.16 ATOM 1021 HG2 LYS 65 5.881 -37.737 39.364 1.00 72.34 ATOM 1022 CD LYS 65 5.063 -39.262 40.613 1.00 22.03 ATOM 1023 HD1 LYS 65 5.268 -40.030 39.879 1.00 38.16 ATOM 1024 HD2 LYS 65 4.124 -39.473 41.103 1.00 34.54 ATOM 1025 CE LYS 65 6.176 -39.266 41.657 1.00 10.23 ATOM 1026 HE1 LYS 65 7.125 -39.136 41.155 1.00 38.16 ATOM 1027 HE2 LYS 65 6.170 -40.216 42.168 1.00 33.15 ATOM 1028 NZ LYS 65 6.006 -38.178 42.661 1.00 21.11 ATOM 1029 HZ1 LYS 65 6.077 -37.245 42.200 1.00 41.51 ATOM 1030 HZ2 LYS 65 6.740 -38.245 43.393 1.00 23.40 ATOM 1031 HZ3 LYS 65 5.074 -38.253 43.119 1.00 30.42 ATOM 1032 C LYS 65 4.915 -36.079 37.562 1.00 25.04 ATOM 1033 O LYS 65 5.268 -36.628 36.517 1.00 31.21 ATOM 1034 N VAL 66 5.625 -35.126 38.151 1.00 61.12 ATOM 1035 HN VAL 66 5.272 -34.708 38.965 1.00 38.16 ATOM 1036 CA VAL 66 6.915 -34.675 37.630 1.00 11.01 ATOM 1037 HA VAL 66 7.236 -35.379 36.870 1.00 0.33 ATOM 1038 CB VAL 66 6.794 -33.271 36.974 1.00 51.34 ATOM 1039 HB VAL 66 6.037 -33.329 36.201 1.00 20.33 ATOM 1040 CG1 VAL 66 6.339 -32.227 37.994 1.00 73.34 ATOM 1041 HG11 VAL 66 7.059 -32.168 38.798 1.00 33.43 ATOM 1042 HG12 VAL 66 5.376 -32.509 38.394 1.00 62.12 ATOM 1043 HG13 VAL 66 6.259 -31.263 37.513 1.00 1.42 ATOM 1044 CG2 VAL 66 8.110 -32.854 36.314 1.00 2.33 ATOM 1045 HG21 VAL 66 8.001 -31.870 35.879 1.00 11.42 ATOM 1046 HG22 VAL 66 8.366 -33.562 35.537 1.00 30.20 ATOM 1047 HG23 VAL 66 8.898 -32.834 37.054 1.00 45.23 ATOM 1048 C VAL 66 7.970 -34.635 38.747 1.00 23.24 ATOM 1049 O VAL 66 7.636 -34.503 39.927 1.00 71.45 ATOM 1050 N TYR 67 9.233 -34.783 38.373 1.00 74.43 ATOM 1051 HN TYR 67 9.422 -34.996 37.438 1.00 38.16 ATOM 1052 CA TYR 67 10.353 -34.644 39.308 1.00 71.02 ATOM 1053 HA TYR 67 9.958 -34.671 40.315 1.00 42.13 ATOM 1054 CB TYR 67 11.346 -35.803 39.132 1.00 2.24 ATOM 1055 HB1 TYR 67 12.173 -35.668 39.818 1.00 38.16 ATOM 1056 HB2 TYR 67 11.725 -35.795 38.119 1.00 73.03 ATOM 1057 CG TYR 67 10.735 -37.170 39.394 1.00 34.32 ATOM 1058 CD1 TYR 67 10.025 -37.844 38.402 1.00 21.12 ATOM 1059 HD1 TYR 67 9.917 -37.387 37.430 1.00 70.14 ATOM 1060 CD2 TYR 67 10.858 -37.783 40.637 1.00 35.24 ATOM 1061 HD2 TYR 67 11.404 -37.277 41.421 1.00 45.05 ATOM 1062 CE1 TYR 67 9.461 -39.082 38.645 1.00 53.41 ATOM 1063 HE1 TYR 67 8.914 -39.589 37.863 1.00 52.21 ATOM 1064 CE2 TYR 67 10.298 -39.021 40.881 1.00 45.03 ATOM 1065 HE2 TYR 67 10.407 -39.480 41.853 1.00 24.11 ATOM 1066 CZ TYR 67 9.602 -39.665 39.884 1.00 43.34 ATOM 1067 OH TYR 67 9.040 -40.898 40.129 1.00 61.41 ATOM 1068 HH TYR 67 9.170 -41.465 39.360 1.00 54.11 ATOM 1069 C TYR 67 11.061 -33.298 39.092 1.00 50.50 ATOM 1070 O TYR 67 11.987 -33.194 38.282 1.00 33.02 ATOM 1071 N PRO 68 10.618 -32.238 39.800 1.00 21.44 ATOM 1072 CA PRO 68 11.186 -30.888 39.646 1.00 43.32 ATOM 1073 HA PRO 68 11.171 -30.574 38.609 1.00 43.44 ATOM 1074 CB PRO 68 10.230 -30.008 40.462 1.00 65.22 ATOM 1075 HB1 PRO 68 9.466 -29.601 39.814 1.00 38.16 ATOM 1076 HB2 PRO 68 10.779 -29.200 40.926 1.00 44.41 ATOM 1077 CG PRO 68 9.645 -30.928 41.479 1.00 23.22 ATOM 1078 HG1 PRO 68 8.668 -30.575 41.780 1.00 38.16 ATOM 1079 HG2 PRO 68 10.300 -30.993 42.338 1.00 30.03 ATOM 1080 CD PRO 68 9.533 -32.269 40.803 1.00 11.42 ATOM 1081 HD1 PRO 68 8.569 -32.372 40.325 1.00 38.16 ATOM 1082 HD2 PRO 68 9.688 -33.066 41.516 1.00 64.45 ATOM 1083 C PRO 68 12.625 -30.787 40.180 1.00 33.51 ATOM 1084 O PRO 68 13.321 -29.798 39.941 1.00 70.24 ATOM 1085 N GLU 69 13.053 -31.807 40.922 1.00 62.00 ATOM 1086 HN GLU 69 12.416 -32.512 41.170 1.00 38.16 ATOM 1087 CA GLU 69 14.440 -31.910 41.396 1.00 33.21 ATOM 1088 HA GLU 69 15.027 -31.160 40.883 1.00 62.15 ATOM 1089 CB GLU 69 14.508 -31.650 42.911 1.00 44.34 ATOM 1090 HB1 GLU 69 15.540 -31.695 43.228 1.00 38.16 ATOM 1091 HB2 GLU 69 13.952 -32.425 43.423 1.00 22.42 ATOM 1092 CG GLU 69 13.938 -30.298 43.334 1.00 60.23 ATOM 1093 HG1 GLU 69 12.902 -30.247 43.028 1.00 38.16 ATOM 1094 HG2 GLU 69 14.495 -29.515 42.836 1.00 42.00 ATOM 1095 CD GLU 69 14.016 -30.071 44.835 1.00 12.14 ATOM 1096 OE1 GLU 69 13.054 -30.428 45.547 1.00 5.15 ATOM 1097 OE2 GLU 69 15.043 -29.538 45.311 1.00 25.13 ATOM 1098 C GLU 69 15.017 -33.300 41.064 1.00 55.35 ATOM 1099 O GLU 69 15.124 -34.167 41.934 1.00 44.03 ATOM 1100 N PRO 70 15.366 -33.544 39.785 1.00 71.21 ATOM 1101 CA PRO 70 15.846 -34.856 39.336 1.00 33.35 ATOM 1102 HA PRO 70 15.262 -35.657 39.773 1.00 43.20 ATOM 1103 CB PRO 70 15.590 -34.806 37.827 1.00 4.21 ATOM 1104 HB1 PRO 70 14.592 -35.165 37.617 1.00 38.16 ATOM 1105 HB2 PRO 70 16.313 -35.423 37.312 1.00 34.31 ATOM 1106 CG PRO 70 15.737 -33.364 37.463 1.00 13.04 ATOM 1107 HG1 PRO 70 15.100 -33.132 36.620 1.00 38.16 ATOM 1108 HG2 PRO 70 16.769 -33.152 37.218 1.00 24.34 ATOM 1109 CD PRO 70 15.312 -32.567 38.677 1.00 64.34 ATOM 1110 HD1 PRO 70 14.307 -32.190 38.547 1.00 38.16 ATOM 1111 HD2 PRO 70 15.998 -31.751 38.851 1.00 11.15 ATOM 1112 C PRO 70 17.337 -35.098 39.642 1.00 21.45 ATOM 1113 O PRO 70 18.224 -34.487 39.038 1.00 5.11 ATOM 1114 N ARG 71 17.598 -35.983 40.600 1.00 31.23 ATOM 1115 HN ARG 71 16.846 -36.388 41.085 1.00 38.16 ATOM 1116 CA ARG 71 18.966 -36.375 40.965 1.00 54.23 ATOM 1117 HA ARG 71 19.631 -35.566 40.696 1.00 31.33 ATOM 1118 CB ARG 71 19.045 -36.605 42.483 1.00 14.23 ATOM 1119 HB1 ARG 71 18.298 -37.337 42.760 1.00 38.16 ATOM 1120 HB2 ARG 71 18.819 -35.675 42.984 1.00 72.34 ATOM 1121 CG ARG 71 20.401 -37.096 42.991 1.00 32.41 ATOM 1122 HG1 ARG 71 20.614 -38.054 42.536 1.00 38.16 ATOM 1123 HG2 ARG 71 20.348 -37.216 44.064 1.00 1.34 ATOM 1124 CD ARG 71 21.537 -36.130 42.662 1.00 63.20 ATOM 1125 HD1 ARG 71 21.258 -35.138 42.988 1.00 38.16 ATOM 1126 HD2 ARG 71 21.694 -36.127 41.592 1.00 1.53 ATOM 1127 NE ARG 71 22.779 -36.518 43.327 1.00 2.25 ATOM 1128 HE ARG 71 22.704 -36.906 44.223 1.00 5.44 ATOM 1129 CZ ARG 71 23.973 -36.382 42.815 1.00 53.05 ATOM 1130 NH1 ARG 71 24.141 -35.869 41.638 1.00 11.52 ATOM 1131 HH11 ARG 71 23.355 -35.566 41.107 1.00 14.31 ATOM 1132 HH12 ARG 71 25.061 -35.777 41.266 1.00 74.21 ATOM 1133 NH2 ARG 71 25.005 -36.761 43.492 1.00 50.45 ATOM 1134 HH21 ARG 71 24.888 -37.152 44.399 1.00 31.41 ATOM 1135 HH22 ARG 71 25.918 -36.656 43.104 1.00 64.21 ATOM 1136 C ARG 71 19.398 -37.644 40.206 1.00 44.10 ATOM 1137 O ARG 71 20.565 -37.798 39.839 1.00 13.33 ATOM 1138 N SER 72 18.450 -38.546 39.980 1.00 51.51 ATOM 1139 HN SER 72 17.546 -38.377 40.322 1.00 38.16 ATOM 1140 CA SER 72 18.710 -39.789 39.237 1.00 14.32 ATOM 1141 HA SER 72 19.774 -39.984 39.265 1.00 65.50 ATOM 1142 CB SER 72 17.970 -40.967 39.889 1.00 15.13 ATOM 1143 HB1 SER 72 18.169 -41.869 39.327 1.00 38.16 ATOM 1144 HB2 SER 72 16.907 -40.770 39.886 1.00 54.14 ATOM 1145 OG SER 72 18.389 -41.170 41.230 1.00 23.11 ATOM 1146 HG SER 72 17.723 -41.691 41.697 1.00 11.21 ATOM 1147 C SER 72 18.265 -39.661 37.774 1.00 75.14 ATOM 1148 O SER 72 17.235 -39.050 37.481 1.00 51.24 ATOM 1149 N GLU 73 19.036 -40.256 36.863 1.00 43.30 ATOM 1150 HN GLU 73 19.851 -40.714 37.157 1.00 38.16 ATOM 1151 CA GLU 73 18.707 -40.242 35.427 1.00 15.35 ATOM 1152 HA GLU 73 18.787 -39.221 35.081 1.00 70.35 ATOM 1153 CB GLU 73 19.713 -41.108 34.654 1.00 4.30 ATOM 1154 HB1 GLU 73 19.691 -42.112 35.056 1.00 38.16 ATOM 1155 HB2 GLU 73 20.703 -40.698 34.796 1.00 70.15 ATOM 1156 CG GLU 73 19.443 -41.189 33.155 1.00 22.24 ATOM 1157 HG1 GLU 73 19.369 -40.186 32.759 1.00 38.16 ATOM 1158 HG2 GLU 73 18.506 -41.704 32.997 1.00 0.35 ATOM 1159 CD GLU 73 20.539 -41.931 32.407 1.00 23.03 ATOM 1160 OE1 GLU 73 21.443 -41.268 31.852 1.00 44.03 ATOM 1161 OE2 GLU 73 20.514 -43.182 32.392 1.00 0.02 ATOM 1162 C GLU 73 17.274 -40.738 35.171 1.00 30.02 ATOM 1163 O GLU 73 16.532 -40.158 34.373 1.00 63.55 ATOM 1164 N SER 74 16.893 -41.803 35.875 1.00 52.41 ATOM 1165 HN SER 74 17.548 -42.230 36.470 1.00 38.16 ATOM 1166 CA SER 74 15.536 -42.370 35.794 1.00 51.45 ATOM 1167 HA SER 74 15.419 -42.808 34.813 1.00 64.24 ATOM 1168 CB SER 74 15.371 -43.473 36.853 1.00 64.44 ATOM 1169 HB1 SER 74 15.637 -43.077 37.824 1.00 38.16 ATOM 1170 HB2 SER 74 16.026 -44.297 36.613 1.00 10.21 ATOM 1171 OG SER 74 14.037 -43.957 36.909 1.00 34.13 ATOM 1172 HG SER 74 13.643 -43.704 37.757 1.00 32.44 ATOM 1173 C SER 74 14.452 -41.298 35.989 1.00 34.22 ATOM 1174 O SER 74 13.408 -41.325 35.329 1.00 42.43 ATOM 1175 N GLU 75 14.711 -40.346 36.887 1.00 61.14 ATOM 1176 HN GLU 75 15.568 -40.359 37.362 1.00 38.16 ATOM 1177 CA GLU 75 13.755 -39.270 37.174 1.00 53.22 ATOM 1178 HA GLU 75 12.790 -39.727 37.345 1.00 41.24 ATOM 1179 CB GLU 75 14.170 -38.508 38.439 1.00 22.33 ATOM 1180 HB1 GLU 75 13.419 -37.762 38.657 1.00 38.16 ATOM 1181 HB2 GLU 75 15.113 -38.011 38.253 1.00 61.52 ATOM 1182 CG GLU 75 14.330 -39.401 39.666 1.00 44.44 ATOM 1183 HG1 GLU 75 15.119 -40.114 39.471 1.00 38.16 ATOM 1184 HG2 GLU 75 13.403 -39.933 39.829 1.00 23.02 ATOM 1185 CD GLU 75 14.678 -38.626 40.929 1.00 73.52 ATOM 1186 OE1 GLU 75 13.873 -38.638 41.887 1.00 45.20 ATOM 1187 OE2 GLU 75 15.756 -38.004 40.973 1.00 1.23 ATOM 1188 C GLU 75 13.636 -38.302 35.988 1.00 3.52 ATOM 1189 O GLU 75 12.532 -37.976 35.552 1.00 71.21 ATOM 1190 N CYS 76 14.779 -37.852 35.465 1.00 50.31 ATOM 1191 HN CYS 76 15.629 -38.122 35.875 1.00 38.16 ATOM 1192 CA CYS 76 14.801 -36.958 34.294 1.00 34.25 ATOM 1193 HA CYS 76 14.316 -36.034 34.575 1.00 31.43 ATOM 1194 CB CYS 76 16.250 -36.652 33.877 1.00 40.42 ATOM 1195 HB1 CYS 76 16.240 -35.987 33.025 1.00 38.16 ATOM 1196 HB2 CYS 76 16.741 -37.573 33.600 1.00 43.14 ATOM 1197 SG CYS 76 17.251 -35.871 35.168 1.00 63.31 ATOM 1198 HG CYS 76 17.440 -34.602 34.824 1.00 70.33 ATOM 1199 C CYS 76 14.044 -37.577 33.108 1.00 40.11 ATOM 1200 O CYS 76 13.215 -36.924 32.471 1.00 33.44 ATOM 1201 N LEU 77 14.332 -38.847 32.829 1.00 21.11 ATOM 1202 HN LEU 77 15.022 -39.302 33.356 1.00 38.16 ATOM 1203 CA LEU 77 13.656 -39.588 31.755 1.00 23.24 ATOM 1204 HA LEU 77 13.810 -39.045 30.833 1.00 63.04 ATOM 1205 CB LEU 77 14.270 -40.989 31.616 1.00 63.33 ATOM 1206 HB1 LEU 77 13.755 -41.509 30.820 1.00 38.16 ATOM 1207 HB2 LEU 77 14.099 -41.526 32.540 1.00 12.11 ATOM 1208 CG LEU 77 15.778 -41.017 31.313 1.00 34.45 ATOM 1209 HG LEU 77 16.304 -40.524 32.118 1.00 20.45 ATOM 1210 CD1 LEU 77 16.291 -42.452 31.234 1.00 33.22 ATOM 1211 HD11 LEU 77 17.358 -42.443 31.063 1.00 20.31 ATOM 1212 HD12 LEU 77 15.801 -42.968 30.421 1.00 2.04 ATOM 1213 HD13 LEU 77 16.081 -42.963 32.163 1.00 62.40 ATOM 1214 CD2 LEU 77 16.087 -40.266 30.021 1.00 5.34 ATOM 1215 HD21 LEU 77 15.789 -39.232 30.124 1.00 25.25 ATOM 1216 HD22 LEU 77 15.545 -40.716 29.201 1.00 72.24 ATOM 1217 HD23 LEU 77 17.147 -40.315 29.820 1.00 13.12 ATOM 1218 C LEU 77 12.143 -39.698 32.017 1.00 20.23 ATOM 1219 O LEU 77 11.331 -39.593 31.094 1.00 13.04 ATOM 1220 N SER 78 11.775 -39.906 33.284 1.00 52.22 ATOM 1221 HN SER 78 12.472 -40.016 33.967 1.00 38.16 ATOM 1222 CA SER 78 10.362 -39.979 33.687 1.00 40.51 ATOM 1223 HA SER 78 9.904 -40.785 33.130 1.00 13.33 ATOM 1224 CB SER 78 10.242 -40.283 35.189 1.00 21.15 ATOM 1225 HB1 SER 78 10.757 -39.515 35.751 1.00 38.16 ATOM 1226 HB2 SER 78 10.698 -41.240 35.395 1.00 53.53 ATOM 1227 OG SER 78 8.885 -40.328 35.615 1.00 63.33 ATOM 1228 HG SER 78 8.301 -40.163 34.866 1.00 64.23 ATOM 1229 C SER 78 9.621 -38.675 33.362 1.00 64.00 ATOM 1230 O SER 78 8.493 -38.701 32.866 1.00 73.20 ATOM 1231 N ASN 79 10.264 -37.538 33.640 1.00 53.34 ATOM 1232 HN ASN 79 11.147 -37.584 34.065 1.00 38.16 ATOM 1233 CA ASN 79 9.684 -36.219 33.342 1.00 52.42 ATOM 1234 HA ASN 79 8.760 -36.129 33.897 1.00 53.24 ATOM 1235 CB ASN 79 10.638 -35.101 33.777 1.00 15.43 ATOM 1236 HB1 ASN 79 10.165 -34.144 33.606 1.00 38.16 ATOM 1237 HB2 ASN 79 11.544 -35.159 33.190 1.00 14.43 ATOM 1238 CG ASN 79 11.009 -35.197 35.241 1.00 12.44 ATOM 1239 OD1 ASN 79 10.262 -35.730 36.045 1.00 72.42 ATOM 1240 ND2 ASN 79 12.162 -34.675 35.602 1.00 12.42 ATOM 1241 HD21 ASN 79 12.719 -34.257 34.912 1.00 51.23 ATOM 1242 HD22 ASN 79 12.408 -34.719 36.547 1.00 53.15 ATOM 1243 C ASN 79 9.378 -36.075 31.849 1.00 75.12 ATOM 1244 O ASN 79 8.275 -35.686 31.456 1.00 33.41 ATOM 1245 N ILE 80 10.367 -36.400 31.019 1.00 25.41 ATOM 1246 HN ILE 80 11.228 -36.691 31.393 1.00 38.16 ATOM 1247 CA ILE 80 10.206 -36.332 29.567 1.00 45.12 ATOM 1248 HA ILE 80 9.950 -35.312 29.311 1.00 71.05 ATOM 1249 CB ILE 80 11.525 -36.699 28.839 1.00 71.31 ATOM 1250 HB ILE 80 11.762 -37.728 29.073 1.00 23.53 ATOM 1251 CG1 ILE 80 12.675 -35.797 29.322 1.00 1.21 ATOM 1252 HG11 ILE 80 12.772 -35.893 30.395 1.00 38.16 ATOM 1253 HG12 ILE 80 12.446 -34.769 29.079 1.00 20.41 ATOM 1254 CG2 ILE 80 11.353 -36.585 27.325 1.00 71.15 ATOM 1255 HG21 ILE 80 11.098 -35.567 27.065 1.00 21.32 ATOM 1256 HG22 ILE 80 10.563 -37.245 26.999 1.00 10.20 ATOM 1257 HG23 ILE 80 12.275 -36.861 26.834 1.00 63.42 ATOM 1258 CD1 ILE 80 14.021 -36.129 28.702 1.00 14.34 ATOM 1259 HD11 ILE 80 14.773 -35.461 29.096 1.00 43.31 ATOM 1260 HD12 ILE 80 13.964 -36.011 27.629 1.00 40.42 ATOM 1261 HD13 ILE 80 14.287 -37.149 28.938 1.00 1.31 ATOM 1262 C ILE 80 9.078 -37.264 29.088 1.00 13.54 ATOM 1263 O ILE 80 8.243 -36.875 28.272 1.00 63.52 ATOM 1264 N ARG 81 9.048 -38.493 29.615 1.00 62.23 ATOM 1265 HN ARG 81 9.742 -38.750 30.259 1.00 38.16 ATOM 1266 CA ARG 81 8.007 -39.467 29.252 1.00 64.03 ATOM 1267 HA ARG 81 8.017 -39.554 28.173 1.00 33.44 ATOM 1268 CB ARG 81 8.316 -40.848 29.850 1.00 61.31 ATOM 1269 HB1 ARG 81 7.440 -41.476 29.756 1.00 38.16 ATOM 1270 HB2 ARG 81 8.553 -40.731 30.899 1.00 52.34 ATOM 1271 CG ARG 81 9.485 -41.552 29.167 1.00 55.41 ATOM 1272 HG1 ARG 81 10.395 -41.008 29.385 1.00 38.16 ATOM 1273 HG2 ARG 81 9.316 -41.552 28.101 1.00 72.34 ATOM 1274 CD ARG 81 9.647 -42.994 29.636 1.00 11.24 ATOM 1275 HD1 ARG 81 8.691 -43.493 29.563 1.00 38.16 ATOM 1276 HD2 ARG 81 9.973 -42.991 30.667 1.00 23.32 ATOM 1277 NE ARG 81 10.629 -43.721 28.829 1.00 5.35 ATOM 1278 HE ARG 81 11.342 -43.203 28.412 1.00 3.52 ATOM 1279 CZ ARG 81 10.601 -45.011 28.626 1.00 43.51 ATOM 1280 NH1 ARG 81 9.665 -45.739 29.144 1.00 64.24 ATOM 1281 HH11 ARG 81 8.956 -45.315 29.705 1.00 3.14 ATOM 1282 HH12 ARG 81 9.646 -46.722 28.973 1.00 12.11 ATOM 1283 NH2 ARG 81 11.505 -45.571 27.887 1.00 2.44 ATOM 1284 HH21 ARG 81 12.226 -45.021 27.469 1.00 33.13 ATOM 1285 HH22 ARG 81 11.480 -46.558 27.737 1.00 71.54 ATOM 1286 C ARG 81 6.604 -39.000 29.674 1.00 41.35 ATOM 1287 O ARG 81 5.623 -39.300 28.997 1.00 30.54 ATOM 1288 N GLU 82 6.511 -38.276 30.789 1.00 74.22 ATOM 1289 HN GLU 82 7.305 -38.163 31.355 1.00 38.16 ATOM 1290 CA GLU 82 5.243 -37.651 31.198 1.00 24.24 ATOM 1291 HA GLU 82 4.516 -38.439 31.338 1.00 61.22 ATOM 1292 CB GLU 82 5.430 -36.900 32.531 1.00 54.44 ATOM 1293 HB1 GLU 82 6.302 -36.267 32.449 1.00 38.16 ATOM 1294 HB2 GLU 82 5.602 -37.624 33.316 1.00 4.12 ATOM 1295 CG GLU 82 4.246 -36.023 32.947 1.00 74.12 ATOM 1296 HG1 GLU 82 4.052 -35.315 32.154 1.00 38.16 ATOM 1297 HG2 GLU 82 4.517 -35.480 33.841 1.00 62.21 ATOM 1298 CD GLU 82 2.964 -36.800 33.225 1.00 33.02 ATOM 1299 OE1 GLU 82 2.676 -37.086 34.407 1.00 42.13 ATOM 1300 OE2 GLU 82 2.228 -37.106 32.267 1.00 55.13 ATOM 1301 C GLU 82 4.736 -36.697 30.099 1.00 70.23 ATOM 1302 O GLU 82 3.585 -36.780 29.659 1.00 35.41 ATOM 1303 N PHE 83 5.618 -35.810 29.643 1.00 31.54 ATOM 1304 HN PHE 83 6.496 -35.752 30.077 1.00 38.16 ATOM 1305 CA PHE 83 5.317 -34.914 28.518 1.00 34.44 ATOM 1306 HA PHE 83 4.491 -34.281 28.810 1.00 30.31 ATOM 1307 CB PHE 83 6.544 -34.036 28.230 1.00 14.32 ATOM 1308 HB1 PHE 83 7.405 -34.677 28.090 1.00 38.16 ATOM 1309 HB2 PHE 83 6.723 -33.395 29.082 1.00 23.03 ATOM 1310 CG PHE 83 6.414 -33.153 27.010 1.00 3.04 ATOM 1311 CD1 PHE 83 7.078 -33.470 25.832 1.00 14.22 ATOM 1312 HD1 PHE 83 7.687 -34.364 25.788 1.00 23.52 ATOM 1313 CD2 PHE 83 5.637 -32.003 27.046 1.00 23.11 ATOM 1314 HD2 PHE 83 5.113 -31.744 27.955 1.00 51.24 ATOM 1315 CE1 PHE 83 6.969 -32.658 24.717 1.00 42.22 ATOM 1316 HE1 PHE 83 7.492 -32.916 23.806 1.00 44.42 ATOM 1317 CE2 PHE 83 5.523 -31.191 25.933 1.00 41.14 ATOM 1318 HE2 PHE 83 4.915 -30.299 25.975 1.00 5.43 ATOM 1319 CZ PHE 83 6.191 -31.518 24.768 1.00 50.25 ATOM 1320 HZ PHE 83 6.106 -30.883 23.899 1.00 11.32 ATOM 1321 C PHE 83 4.917 -35.710 27.257 1.00 64.35 ATOM 1322 O PHE 83 3.931 -35.391 26.585 1.00 33.51 ATOM 1323 N LEU 84 5.692 -36.749 26.953 1.00 2.30 ATOM 1324 HN LEU 84 6.473 -36.934 27.517 1.00 38.16 ATOM 1325 CA LEU 84 5.421 -37.624 25.804 1.00 23.42 ATOM 1326 HA LEU 84 5.390 -37.005 24.918 1.00 74.10 ATOM 1327 CB LEU 84 6.553 -38.650 25.652 1.00 53.32 ATOM 1328 HB1 LEU 84 6.305 -39.311 24.834 1.00 38.16 ATOM 1329 HB2 LEU 84 6.603 -39.234 26.562 1.00 20.21 ATOM 1330 CG LEU 84 7.945 -38.051 25.384 1.00 72.25 ATOM 1331 HG LEU 84 8.176 -37.339 26.164 1.00 33.41 ATOM 1332 CD1 LEU 84 9.019 -39.134 25.416 1.00 71.43 ATOM 1333 HD11 LEU 84 9.030 -39.602 26.390 1.00 12.52 ATOM 1334 HD12 LEU 84 9.986 -38.690 25.222 1.00 43.20 ATOM 1335 HD13 LEU 84 8.808 -39.878 24.661 1.00 64.04 ATOM 1336 CD2 LEU 84 7.962 -37.307 24.051 1.00 62.51 ATOM 1337 HD21 LEU 84 8.944 -36.888 23.884 1.00 60.24 ATOM 1338 HD22 LEU 84 7.233 -36.511 24.074 1.00 10.53 ATOM 1339 HD23 LEU 84 7.723 -37.991 23.249 1.00 44.21 ATOM 1340 C LEU 84 4.070 -38.346 25.947 1.00 70.23 ATOM 1341 O LEU 84 3.369 -38.577 24.958 1.00 13.24 ATOM 1342 N ARG 85 3.712 -38.697 27.183 1.00 30.44 ATOM 1343 HN ARG 85 4.326 -38.511 27.924 1.00 38.16 ATOM 1344 CA ARG 85 2.429 -39.347 27.472 1.00 44.31 ATOM 1345 HA ARG 85 2.369 -40.249 26.875 1.00 1.44 ATOM 1346 CB ARG 85 2.339 -39.722 28.962 1.00 4.22 ATOM 1347 HB1 ARG 85 2.365 -38.816 29.551 1.00 38.16 ATOM 1348 HB2 ARG 85 3.194 -40.331 29.221 1.00 62.31 ATOM 1349 CG ARG 85 1.070 -40.494 29.328 1.00 21.35 ATOM 1350 HG1 ARG 85 1.094 -41.458 28.837 1.00 38.16 ATOM 1351 HG2 ARG 85 0.210 -39.938 28.980 1.00 11.32 ATOM 1352 CD ARG 85 0.935 -40.711 30.834 1.00 44.13 ATOM 1353 HD1 ARG 85 1.813 -41.230 31.192 1.00 38.16 ATOM 1354 HD2 ARG 85 0.060 -41.320 31.019 1.00 64.32 ATOM 1355 NE ARG 85 0.800 -39.449 31.559 1.00 20.11 ATOM 1356 HE ARG 85 1.555 -38.820 31.523 1.00 23.44 ATOM 1357 CZ ARG 85 -0.249 -39.103 32.256 1.00 74.12 ATOM 1358 NH1 ARG 85 -1.285 -39.882 32.337 1.00 2.43 ATOM 1359 HH11 ARG 85 -1.289 -40.759 31.862 1.00 71.22 ATOM 1360 HH12 ARG 85 -2.078 -39.604 32.874 1.00 43.32 ATOM 1361 NH2 ARG 85 -0.257 -37.964 32.863 1.00 13.22 ATOM 1362 HH21 ARG 85 0.542 -37.362 32.792 1.00 4.12 ATOM 1363 HH22 ARG 85 -1.050 -37.681 33.388 1.00 43.01 ATOM 1364 C ARG 85 1.263 -38.422 27.102 1.00 3.30 ATOM 1365 O ARG 85 0.370 -38.800 26.345 1.00 54.10 ATOM 1366 N GLY 86 1.292 -37.202 27.635 1.00 2.22 ATOM 1367 HN GLY 86 2.040 -36.956 28.226 1.00 38.16 ATOM 1368 CA GLY 86 0.240 -36.230 27.357 1.00 53.05 ATOM 1369 HA1 GLY 86 0.454 -35.325 27.906 1.00 38.16 ATOM 1370 HA2 GLY 86 -0.702 -36.630 27.704 1.00 3.13 ATOM 1371 C GLY 86 0.111 -35.887 25.875 1.00 65.35 ATOM 1372 O GLY 86 -0.975 -36.009 25.293 1.00 43.14 ATOM 1373 N CYS 87 1.217 -35.466 25.259 1.00 23.31 ATOM 1374 HN CYS 87 2.046 -35.356 25.781 1.00 38.16 ATOM 1375 CA CYS 87 1.230 -35.145 23.825 1.00 51.45 ATOM 1376 HA CYS 87 0.539 -34.327 23.666 1.00 74.15 ATOM 1377 CB CYS 87 2.629 -34.696 23.392 1.00 4.23 ATOM 1378 HB1 CYS 87 2.630 -34.511 22.327 1.00 38.16 ATOM 1379 HB2 CYS 87 3.338 -35.480 23.617 1.00 41.35 ATOM 1380 SG CYS 87 3.200 -33.189 24.212 1.00 23.13 ATOM 1381 HG CYS 87 4.342 -32.828 23.649 1.00 63.04 ATOM 1382 C CYS 87 0.780 -36.340 22.971 1.00 14.13 ATOM 1383 O CYS 87 0.117 -36.170 21.951 1.00 32.43 ATOM 1384 N GLY 88 1.143 -37.547 23.397 1.00 73.41 ATOM 1385 HN GLY 88 1.695 -37.617 24.205 1.00 38.16 ATOM 1386 CA GLY 88 0.755 -38.759 22.675 1.00 12.21 ATOM 1387 HA1 GLY 88 1.470 -39.536 22.905 1.00 38.16 ATOM 1388 HA2 GLY 88 0.794 -38.561 21.614 1.00 2.41 ATOM 1389 C GLY 88 -0.647 -39.267 23.023 1.00 43.10 ATOM 1390 O GLY 88 -1.201 -40.110 22.316 1.00 23.52 ATOM 1391 N ALA 89 -1.223 -38.764 24.113 1.00 14.14 ATOM 1392 HN ALA 89 -0.734 -38.105 24.648 1.00 38.16 ATOM 1393 CA ALA 89 -2.564 -39.190 24.545 1.00 71.10 ATOM 1394 HA ALA 89 -2.705 -40.212 24.218 1.00 33.22 ATOM 1395 CB ALA 89 -2.660 -39.172 26.066 1.00 2.52 ATOM 1396 HB1 ALA 89 -2.546 -38.159 26.425 1.00 64.41 ATOM 1397 HB2 ALA 89 -1.878 -39.790 26.485 1.00 64.53 ATOM 1398 HB3 ALA 89 -3.622 -39.556 26.372 1.00 14.12 ATOM 1399 C ALA 89 -3.676 -38.322 23.932 1.00 0.33 ATOM 1400 O ALA 89 -4.534 -38.819 23.202 1.00 2.43 ATOM 1401 N SER 90 -3.653 -37.022 24.231 1.00 4.32 ATOM 1402 HN SER 90 -2.915 -36.673 24.779 1.00 38.16 ATOM 1403 CA SER 90 -4.708 -36.097 23.769 1.00 74.21 ATOM 1404 HA SER 90 -5.641 -36.646 23.750 1.00 32.32 ATOM 1405 CB SER 90 -4.854 -34.918 24.745 1.00 44.43 ATOM 1406 HB1 SER 90 -3.907 -34.403 24.827 1.00 38.16 ATOM 1407 HB2 SER 90 -5.143 -35.290 25.718 1.00 72.14 ATOM 1408 OG SER 90 -5.839 -33.995 24.302 1.00 54.15 ATOM 1409 HG SER 90 -6.709 -34.268 24.628 1.00 54.45 ATOM 1410 C SER 90 -4.434 -35.559 22.356 1.00 11.13 ATOM 1411 O SER 90 -5.356 -35.351 21.565 1.00 14.41 ATOM 1412 N LEU 91 -3.163 -35.330 22.044 1.00 23.33 ATOM 1413 HN LEU 91 -2.468 -35.544 22.699 1.00 38.16 ATOM 1414 CA LEU 91 -2.774 -34.756 20.749 1.00 12.35 ATOM 1415 HA LEU 91 -3.627 -34.226 20.352 1.00 74.42 ATOM 1416 CB LEU 91 -1.633 -33.756 20.964 1.00 2.33 ATOM 1417 HB1 LEU 91 -1.321 -33.380 20.000 1.00 38.16 ATOM 1418 HB2 LEU 91 -0.802 -34.285 21.412 1.00 34.22 ATOM 1419 CG LEU 91 -1.989 -32.556 21.860 1.00 2.12 ATOM 1420 HG LEU 91 -2.404 -32.922 22.790 1.00 30.21 ATOM 1421 CD1 LEU 91 -0.746 -31.737 22.199 1.00 43.23 ATOM 1422 HD11 LEU 91 -1.025 -30.898 22.821 1.00 12.11 ATOM 1423 HD12 LEU 91 -0.292 -31.374 21.289 1.00 31.20 ATOM 1424 HD13 LEU 91 -0.039 -32.357 22.731 1.00 63.42 ATOM 1425 CD2 LEU 91 -3.044 -31.681 21.188 1.00 35.33 ATOM 1426 HD21 LEU 91 -3.933 -32.266 21.000 1.00 72.14 ATOM 1427 HD22 LEU 91 -2.657 -31.302 20.251 1.00 31.13 ATOM 1428 HD23 LEU 91 -3.290 -30.852 21.836 1.00 31.34 ATOM 1429 C LEU 91 -2.356 -35.836 19.737 1.00 61.13 ATOM 1430 O LEU 91 -2.634 -35.717 18.545 1.00 30.32 ATOM 1431 N ARG 92 -1.682 -36.881 20.227 1.00 74.21 ATOM 1432 HN ARG 92 -1.480 -36.898 21.185 1.00 38.16 ATOM 1433 CA ARG 92 -1.226 -38.005 19.391 1.00 14.02 ATOM 1434 HA ARG 92 -0.646 -38.655 20.031 1.00 3.41 ATOM 1435 CB ARG 92 -2.433 -38.798 18.863 1.00 24.33 ATOM 1436 HB1 ARG 92 -2.083 -39.555 18.174 1.00 38.16 ATOM 1437 HB2 ARG 92 -3.094 -38.123 18.339 1.00 10.31 ATOM 1438 CG ARG 92 -3.224 -39.487 19.975 1.00 34.43 ATOM 1439 HG1 ARG 92 -3.591 -38.733 20.657 1.00 38.16 ATOM 1440 HG2 ARG 92 -2.565 -40.157 20.507 1.00 63.21 ATOM 1441 CD ARG 92 -4.406 -40.290 19.450 1.00 71.30 ATOM 1442 HD1 ARG 92 -4.051 -41.005 18.721 1.00 38.16 ATOM 1443 HD2 ARG 92 -5.107 -39.613 18.980 1.00 71.14 ATOM 1444 NE ARG 92 -5.083 -41.005 20.533 1.00 40.41 ATOM 1445 HE ARG 92 -4.614 -41.073 21.390 1.00 64.12 ATOM 1446 CZ ARG 92 -6.261 -41.558 20.432 1.00 24.33 ATOM 1447 NH1 ARG 92 -6.932 -41.493 19.325 1.00 30.24 ATOM 1448 HH11 ARG 92 -6.551 -41.016 18.537 1.00 73.12 ATOM 1449 HH12 ARG 92 -7.829 -41.924 19.263 1.00 12.42 ATOM 1450 NH2 ARG 92 -6.767 -42.172 21.448 1.00 13.11 ATOM 1451 HH21 ARG 92 -6.259 -42.229 22.305 1.00 14.21 ATOM 1452 HH22 ARG 92 -7.675 -42.583 21.380 1.00 64.25 ATOM 1453 C ARG 92 -0.307 -37.542 18.242 1.00 63.14 ATOM 1454 O ARG 92 -0.285 -38.134 17.157 1.00 3.20 ATOM 1455 N LEU 93 0.476 -36.500 18.511 1.00 2.14 ATOM 1456 HN LEU 93 0.387 -36.060 19.380 1.00 38.16 ATOM 1457 CA LEU 93 1.473 -35.996 17.559 1.00 70.33 ATOM 1458 HA LEU 93 1.074 -36.130 16.562 1.00 40.22 ATOM 1459 CB LEU 93 1.698 -34.492 17.806 1.00 72.31 ATOM 1460 HB1 LEU 93 0.773 -33.979 17.581 1.00 38.16 ATOM 1461 HB2 LEU 93 2.451 -34.145 17.112 1.00 3.03 ATOM 1462 CG LEU 93 2.132 -34.093 19.236 1.00 2.43 ATOM 1463 HG LEU 93 1.716 -34.805 19.936 1.00 43.31 ATOM 1464 CD1 LEU 93 3.648 -34.133 19.393 1.00 75.31 ATOM 1465 HD11 LEU 93 4.010 -35.124 19.167 1.00 53.24 ATOM 1466 HD12 LEU 93 3.911 -33.876 20.409 1.00 33.55 ATOM 1467 HD13 LEU 93 4.098 -33.420 18.715 1.00 70.43 ATOM 1468 CD2 LEU 93 1.595 -32.713 19.607 1.00 33.41 ATOM 1469 HD21 LEU 93 1.899 -32.468 20.616 1.00 30.44 ATOM 1470 HD22 LEU 93 0.517 -32.720 19.550 1.00 11.23 ATOM 1471 HD23 LEU 93 1.988 -31.975 18.923 1.00 54.45 ATOM 1472 C LEU 93 2.786 -36.798 17.671 1.00 4.14 ATOM 1473 O LEU 93 2.925 -37.638 18.561 1.00 74.21 ATOM 1474 N GLU 94 3.746 -36.543 16.777 1.00 12.03 ATOM 1475 HN GLU 94 3.620 -35.823 16.125 1.00 38.16 ATOM 1476 CA GLU 94 4.997 -37.317 16.770 1.00 54.10 ATOM 1477 HA GLU 94 4.719 -38.362 16.699 1.00 64.05 ATOM 1478 CB GLU 94 5.884 -36.974 15.554 1.00 24.32 ATOM 1479 HB1 GLU 94 5.353 -37.252 14.654 1.00 38.16 ATOM 1480 HB2 GLU 94 6.789 -37.562 15.613 1.00 34.11 ATOM 1481 CG GLU 94 6.283 -35.501 15.437 1.00 21.22 ATOM 1482 HG1 GLU 94 7.288 -35.445 15.037 1.00 38.16 ATOM 1483 HG2 GLU 94 6.269 -35.056 16.423 1.00 65.31 ATOM 1484 CD GLU 94 5.355 -34.708 14.535 1.00 73.21 ATOM 1485 OE1 GLU 94 4.272 -34.296 14.995 1.00 41.03 ATOM 1486 OE2 GLU 94 5.704 -34.501 13.353 1.00 11.13 ATOM 1487 C GLU 94 5.792 -37.126 18.072 1.00 34.33 ATOM 1488 O GLU 94 6.197 -36.016 18.423 1.00 74.25 ATOM 1489 N THR 95 6.000 -38.223 18.795 1.00 1.01 ATOM 1490 HN THR 95 5.638 -39.078 18.475 1.00 38.16 ATOM 1491 CA THR 95 6.744 -38.192 20.055 1.00 51.10 ATOM 1492 HA THR 95 6.814 -37.160 20.376 1.00 4.22 ATOM 1493 CB THR 95 6.019 -38.991 21.165 1.00 14.21 ATOM 1494 HB THR 95 6.654 -39.016 22.041 1.00 41.12 ATOM 1495 OG1 THR 95 5.775 -40.339 20.732 1.00 41.43 ATOM 1496 HG1 THR 95 6.389 -40.938 21.179 1.00 1.44 ATOM 1497 CG2 THR 95 4.697 -38.326 21.544 1.00 41.14 ATOM 1498 HG21 THR 95 4.075 -38.233 20.666 1.00 34.31 ATOM 1499 HG22 THR 95 4.889 -37.345 21.954 1.00 71.34 ATOM 1500 HG23 THR 95 4.188 -38.929 22.283 1.00 14.53 ATOM 1501 C THR 95 8.166 -38.747 19.890 1.00 53.43 ATOM 1502 O THR 95 8.400 -39.695 19.137 1.00 20.03 ATOM 1503 N PHE 96 9.111 -38.133 20.590 1.00 31.53 ATOM 1504 HN PHE 96 8.865 -37.347 21.119 1.00 38.16 ATOM 1505 CA PHE 96 10.507 -38.583 20.604 1.00 24.10 ATOM 1506 HA PHE 96 10.688 -39.143 19.694 1.00 34.35 ATOM 1507 CB PHE 96 11.450 -37.370 20.637 1.00 43.44 ATOM 1508 HB1 PHE 96 11.349 -36.821 19.710 1.00 38.16 ATOM 1509 HB2 PHE 96 12.469 -37.718 20.728 1.00 63.34 ATOM 1510 CG PHE 96 11.180 -36.416 21.774 1.00 72.54 ATOM 1511 CD1 PHE 96 10.205 -35.433 21.654 1.00 11.45 ATOM 1512 HD1 PHE 96 9.635 -35.361 20.739 1.00 44.22 ATOM 1513 CD2 PHE 96 11.899 -36.498 22.958 1.00 10.35 ATOM 1514 HD2 PHE 96 12.660 -37.259 23.065 1.00 63.35 ATOM 1515 CE1 PHE 96 9.957 -34.554 22.690 1.00 33.30 ATOM 1516 HE1 PHE 96 9.197 -33.793 22.583 1.00 43.52 ATOM 1517 CE2 PHE 96 11.653 -35.622 23.994 1.00 25.35 ATOM 1518 HE2 PHE 96 12.221 -35.696 24.910 1.00 44.55 ATOM 1519 CZ PHE 96 10.681 -34.649 23.862 1.00 11.12 ATOM 1520 HZ PHE 96 10.491 -33.961 24.674 1.00 23.11 ATOM 1521 C PHE 96 10.771 -39.508 21.804 1.00 53.12 ATOM 1522 O PHE 96 9.857 -39.824 22.567 1.00 40.14 ATOM 1523 N ASP 97 12.009 -39.970 21.951 1.00 11.32 ATOM 1524 HN ASP 97 12.701 -39.713 21.305 1.00 38.16 ATOM 1525 CA ASP 97 12.377 -40.831 23.079 1.00 0.34 ATOM 1526 HA ASP 97 11.465 -41.236 23.500 1.00 23.33 ATOM 1527 CB ASP 97 13.250 -41.989 22.586 1.00 33.55 ATOM 1528 HB1 ASP 97 14.157 -41.590 22.153 1.00 38.16 ATOM 1529 HB2 ASP 97 12.711 -42.537 21.827 1.00 73.34 ATOM 1530 CG ASP 97 13.629 -42.950 23.693 1.00 53.25 ATOM 1531 OD1 ASP 97 12.863 -43.902 23.946 1.00 11.55 ATOM 1532 OD2 ASP 97 14.691 -42.761 24.315 1.00 35.33 ATOM 1533 C ASP 97 13.102 -40.017 24.166 1.00 14.33 ATOM 1534 O ASP 97 13.936 -39.164 23.870 1.00 55.24 ATOM 1535 N ALA 98 12.783 -40.295 25.427 1.00 4.21 ATOM 1536 HN ALA 98 12.151 -41.022 25.607 1.00 38.16 ATOM 1537 CA ALA 98 13.341 -39.542 26.560 1.00 64.15 ATOM 1538 HA ALA 98 12.966 -38.529 26.497 1.00 71.22 ATOM 1539 CB ALA 98 12.850 -40.141 27.875 1.00 72.41 ATOM 1540 HB1 ALA 98 11.769 -40.134 27.895 1.00 11.40 ATOM 1541 HB2 ALA 98 13.229 -39.558 28.703 1.00 34.34 ATOM 1542 HB3 ALA 98 13.203 -41.158 27.962 1.00 24.13 ATOM 1543 C ALA 98 14.881 -39.499 26.547 1.00 74.12 ATOM 1544 O ALA 98 15.489 -38.514 26.974 1.00 1.34 ATOM 1545 N ASN 99 15.508 -40.558 26.043 1.00 20.12 ATOM 1546 HN ASN 99 14.980 -41.263 25.608 1.00 38.16 ATOM 1547 CA ASN 99 16.966 -40.688 26.108 1.00 10.55 ATOM 1548 HA ASN 99 17.268 -40.346 27.087 1.00 61.42 ATOM 1549 CB ASN 99 17.378 -42.157 25.963 1.00 25.32 ATOM 1550 HB1 ASN 99 18.456 -42.229 25.974 1.00 38.16 ATOM 1551 HB2 ASN 99 17.007 -42.542 25.023 1.00 71.11 ATOM 1552 CG ASN 99 16.825 -43.020 27.087 1.00 35.24 ATOM 1553 OD1 ASN 99 17.456 -43.195 28.122 1.00 25.41 ATOM 1554 ND2 ASN 99 15.648 -43.579 26.888 1.00 62.44 ATOM 1555 HD21 ASN 99 15.198 -43.419 26.034 1.00 0.33 ATOM 1556 HD22 ASN 99 15.269 -44.124 27.609 1.00 63.43 ATOM 1557 C ASN 99 17.688 -39.819 25.061 1.00 44.14 ATOM 1558 O ASN 99 18.778 -39.307 25.333 1.00 62.32 ATOM 1559 N ASP 100 17.094 -39.628 23.874 1.00 65.24 ATOM 1560 HN ASP 100 16.207 -40.017 23.703 1.00 38.16 ATOM 1561 CA ASP 100 17.755 -38.825 22.833 1.00 2.21 ATOM 1562 HA ASP 100 18.787 -39.152 22.805 1.00 72.45 ATOM 1563 CB ASP 100 17.152 -39.064 21.434 1.00 11.23 ATOM 1564 HB1 ASP 100 17.385 -40.075 21.125 1.00 38.16 ATOM 1565 HB2 ASP 100 17.608 -38.377 20.737 1.00 33.31 ATOM 1566 CG ASP 100 15.647 -38.875 21.361 1.00 31.11 ATOM 1567 OD1 ASP 100 14.937 -39.876 21.126 1.00 0.05 ATOM 1568 OD2 ASP 100 15.175 -37.735 21.505 1.00 51.40 ATOM 1569 C ASP 100 17.763 -37.328 23.188 1.00 12.43 ATOM 1570 O ASP 100 18.744 -36.632 22.925 1.00 42.05 ATOM 1571 N LEU 101 16.687 -36.836 23.796 1.00 64.20 ATOM 1572 HN LEU 101 15.892 -37.405 23.899 1.00 38.16 ATOM 1573 CA LEU 101 16.656 -35.449 24.286 1.00 2.55 ATOM 1574 HA LEU 101 16.990 -34.810 23.480 1.00 4.43 ATOM 1575 CB LEU 101 15.232 -35.035 24.687 1.00 64.24 ATOM 1576 HB1 LEU 101 14.848 -35.771 25.378 1.00 38.16 ATOM 1577 HB2 LEU 101 14.613 -35.043 23.799 1.00 13.23 ATOM 1578 CG LEU 101 15.118 -33.644 25.349 1.00 3.24 ATOM 1579 HG LEU 101 15.741 -33.627 26.233 1.00 52.54 ATOM 1580 CD1 LEU 101 15.617 -32.544 24.414 1.00 3.30 ATOM 1581 HD11 LEU 101 15.024 -32.538 23.511 1.00 24.45 ATOM 1582 HD12 LEU 101 16.652 -32.724 24.164 1.00 1.04 ATOM 1583 HD13 LEU 101 15.530 -31.586 24.907 1.00 74.44 ATOM 1584 CD2 LEU 101 13.682 -33.366 25.786 1.00 31.10 ATOM 1585 HD21 LEU 101 13.624 -32.384 26.234 1.00 31.10 ATOM 1586 HD22 LEU 101 13.375 -34.108 26.509 1.00 31.13 ATOM 1587 HD23 LEU 101 13.027 -33.407 24.928 1.00 11.43 ATOM 1588 C LEU 101 17.600 -35.261 25.484 1.00 44.15 ATOM 1589 O LEU 101 18.426 -34.348 25.501 1.00 44.05 ATOM 1590 N TYR 102 17.472 -36.138 26.477 1.00 63.15 ATOM 1591 HN TYR 102 16.819 -36.866 26.384 1.00 38.16 ATOM 1592 CA TYR 102 18.265 -36.048 27.709 1.00 63.44 ATOM 1593 HA TYR 102 18.030 -35.103 28.178 1.00 32.21 ATOM 1594 CB TYR 102 17.870 -37.180 28.663 1.00 23.13 ATOM 1595 HB1 TYR 102 18.039 -38.129 28.173 1.00 38.16 ATOM 1596 HB2 TYR 102 16.818 -37.089 28.900 1.00 4.14 ATOM 1597 CG TYR 102 18.642 -37.180 29.971 1.00 52.02 ATOM 1598 CD1 TYR 102 18.523 -36.126 30.871 1.00 31.12 ATOM 1599 HD1 TYR 102 17.871 -35.296 30.628 1.00 43.20 ATOM 1600 CD2 TYR 102 19.483 -38.234 30.305 1.00 10.55 ATOM 1601 HD2 TYR 102 19.588 -39.061 29.617 1.00 61.03 ATOM 1602 CE1 TYR 102 19.222 -36.125 32.063 1.00 44.05 ATOM 1603 HE1 TYR 102 19.118 -35.295 32.750 1.00 23.10 ATOM 1604 CE2 TYR 102 20.184 -38.238 31.493 1.00 24.25 ATOM 1605 HE2 TYR 102 20.832 -39.068 31.733 1.00 5.10 ATOM 1606 CZ TYR 102 20.051 -37.183 32.369 1.00 55.32 ATOM 1607 OH TYR 102 20.746 -37.188 33.557 1.00 2.53 ATOM 1608 HH TYR 102 21.635 -37.541 33.408 1.00 21.30 ATOM 1609 C TYR 102 19.779 -36.089 27.430 1.00 22.33 ATOM 1610 O TYR 102 20.549 -35.341 28.030 1.00 62.04 ATOM 1611 N GLN 103 20.203 -36.965 26.523 1.00 33.31 ATOM 1612 HN GLN 103 19.550 -37.555 26.085 1.00 38.16 ATOM 1613 CA GLN 103 21.625 -37.076 26.174 1.00 23.32 ATOM 1614 HA GLN 103 22.198 -36.810 27.053 1.00 3.21 ATOM 1615 CB GLN 103 21.968 -38.522 25.787 1.00 12.32 ATOM 1616 HB1 GLN 103 23.001 -38.563 25.470 1.00 38.16 ATOM 1617 HB2 GLN 103 21.338 -38.820 24.961 1.00 73.23 ATOM 1618 CG GLN 103 21.777 -39.530 26.921 1.00 73.14 ATOM 1619 HG1 GLN 103 22.037 -40.515 26.557 1.00 38.16 ATOM 1620 HG2 GLN 103 20.739 -39.523 27.219 1.00 71.42 ATOM 1621 CD GLN 103 22.635 -39.227 28.143 1.00 24.52 ATOM 1622 OE1 GLN 103 23.712 -38.648 28.042 1.00 1.03 ATOM 1623 NE2 GLN 103 22.170 -39.622 29.310 1.00 4.54 ATOM 1624 HE21 GLN 103 21.313 -40.091 29.334 1.00 51.03 ATOM 1625 HE22 GLN 103 22.707 -39.433 30.107 1.00 32.05 ATOM 1626 C GLN 103 22.016 -36.113 25.035 1.00 2.32 ATOM 1627 O GLN 103 23.200 -35.904 24.771 1.00 51.34 ATOM 1628 N GLY 104 21.018 -35.526 24.375 1.00 52.44 ATOM 1629 HN GLY 104 20.093 -35.718 24.635 1.00 38.16 ATOM 1630 CA GLY 104 21.279 -34.591 23.282 1.00 61.14 ATOM 1631 HA1 GLY 104 22.085 -33.930 23.571 1.00 38.16 ATOM 1632 HA2 GLY 104 20.390 -33.999 23.119 1.00 61.32 ATOM 1633 C GLY 104 21.654 -35.280 21.971 1.00 23.41 ATOM 1634 O GLY 104 22.385 -34.717 21.154 1.00 15.11 ATOM 1635 N GLN 105 21.143 -36.494 21.763 1.00 74.21 ATOM 1636 HN GLN 105 20.550 -36.877 22.441 1.00 38.16 ATOM 1637 CA GLN 105 21.442 -37.271 20.553 1.00 13.45 ATOM 1638 HA GLN 105 22.494 -37.146 20.337 1.00 11.53 ATOM 1639 CB GLN 105 21.165 -38.764 20.794 1.00 41.02 ATOM 1640 HB1 GLN 105 21.396 -39.313 19.891 1.00 38.16 ATOM 1641 HB2 GLN 105 20.114 -38.890 21.018 1.00 12.14 ATOM 1642 CG GLN 105 21.971 -39.368 21.938 1.00 1.54 ATOM 1643 HG1 GLN 105 21.744 -40.424 22.007 1.00 38.16 ATOM 1644 HG2 GLN 105 21.685 -38.883 22.861 1.00 52.34 ATOM 1645 CD GLN 105 23.470 -39.203 21.751 1.00 14.11 ATOM 1646 OE1 GLN 105 24.059 -38.224 22.197 1.00 4.43 ATOM 1647 NE2 GLN 105 24.099 -40.146 21.079 1.00 51.20 ATOM 1648 HE21 GLN 105 23.576 -40.900 20.736 1.00 74.13 ATOM 1649 HE22 GLN 105 25.066 -40.053 20.951 1.00 15.11 ATOM 1650 C GLN 105 20.634 -36.782 19.340 1.00 20.12 ATOM 1651 O GLN 105 21.200 -36.338 18.341 1.00 72.14 ATOM 1652 N ASN 106 19.307 -36.875 19.426 1.00 51.33 ATOM 1653 HN ASN 106 18.907 -37.216 20.253 1.00 38.16 ATOM 1654 CA ASN 106 18.428 -36.469 18.321 1.00 73.32 ATOM 1655 HA ASN 106 19.057 -36.128 17.508 1.00 13.10 ATOM 1656 CB ASN 106 17.593 -37.657 17.825 1.00 34.24 ATOM 1657 HB1 ASN 106 16.832 -37.298 17.146 1.00 38.16 ATOM 1658 HB2 ASN 106 17.115 -38.132 18.672 1.00 70.40 ATOM 1659 CG ASN 106 18.421 -38.704 17.104 1.00 74.34 ATOM 1660 OD1 ASN 106 19.582 -38.937 17.424 1.00 71.43 ATOM 1661 ND2 ASN 106 17.833 -39.335 16.111 1.00 34.41 ATOM 1662 HD21 ASN 106 16.910 -39.099 15.895 1.00 40.22 ATOM 1663 HD22 ASN 106 18.346 -40.019 15.634 1.00 3.33 ATOM 1664 C ASN 106 17.507 -35.313 18.727 1.00 42.31 ATOM 1665 O ASN 106 16.405 -35.524 19.231 1.00 72.24 ATOM 1666 N PHE 107 17.968 -34.089 18.501 1.00 2.04 ATOM 1667 HN PHE 107 18.855 -33.980 18.093 1.00 38.16 ATOM 1668 CA PHE 107 17.187 -32.898 18.833 1.00 42.12 ATOM 1669 HA PHE 107 16.663 -33.096 19.759 1.00 44.40 ATOM 1670 CB PHE 107 18.118 -31.694 19.043 1.00 20.44 ATOM 1671 HB1 PHE 107 18.674 -31.515 18.132 1.00 38.16 ATOM 1672 HB2 PHE 107 18.813 -31.923 19.839 1.00 75.10 ATOM 1673 CG PHE 107 17.391 -30.421 19.411 1.00 11.15 ATOM 1674 CD1 PHE 107 16.763 -30.294 20.644 1.00 70.24 ATOM 1675 HD1 PHE 107 16.800 -31.116 21.346 1.00 53.54 ATOM 1676 CD2 PHE 107 17.331 -29.353 18.524 1.00 52.35 ATOM 1677 HD2 PHE 107 17.815 -29.437 17.561 1.00 4.35 ATOM 1678 CE1 PHE 107 16.093 -29.133 20.981 1.00 42.22 ATOM 1679 HE1 PHE 107 15.609 -29.048 21.944 1.00 21.32 ATOM 1680 CE2 PHE 107 16.663 -28.191 18.859 1.00 3.20 ATOM 1681 HE2 PHE 107 16.624 -27.369 18.160 1.00 33.42 ATOM 1682 CZ PHE 107 16.043 -28.081 20.088 1.00 34.44 ATOM 1683 HZ PHE 107 15.520 -27.173 20.352 1.00 21.21 ATOM 1684 C PHE 107 16.150 -32.593 17.742 1.00 4.53 ATOM 1685 O PHE 107 15.147 -31.924 17.994 1.00 31.51 ATOM 1686 N ASN 108 16.391 -33.097 16.532 1.00 72.12 ATOM 1687 HN ASN 108 17.196 -33.646 16.398 1.00 38.16 ATOM 1688 CA ASN 108 15.494 -32.851 15.395 1.00 33.23 ATOM 1689 HA ASN 108 15.466 -31.781 15.235 1.00 72.35 ATOM 1690 CB ASN 108 16.037 -33.522 14.125 1.00 53.42 ATOM 1691 HB1 ASN 108 17.049 -33.181 13.953 1.00 38.16 ATOM 1692 HB2 ASN 108 15.423 -33.235 13.284 1.00 31.22 ATOM 1693 CG ASN 108 16.054 -35.040 14.210 1.00 52.30 ATOM 1694 OD1 ASN 108 16.248 -35.619 15.274 1.00 14.44 ATOM 1695 ND2 ASN 108 15.837 -35.695 13.088 1.00 61.43 ATOM 1696 HD21 ASN 108 15.682 -35.176 12.270 1.00 20.03 ATOM 1697 HD22 ASN 108 15.825 -36.672 13.122 1.00 55.55 ATOM 1698 C ASN 108 14.058 -33.332 15.682 1.00 22.24 ATOM 1699 O ASN 108 13.088 -32.628 15.390 1.00 72.14 ATOM 1700 N LYS 109 13.929 -34.528 16.259 1.00 63.20 ATOM 1701 HN LYS 109 14.735 -35.058 16.436 1.00 38.16 ATOM 1702 CA LYS 109 12.618 -35.072 16.632 1.00 73.31 ATOM 1703 HA LYS 109 12.001 -35.096 15.744 1.00 71.30 ATOM 1704 CB LYS 109 12.762 -36.498 17.184 1.00 63.13 ATOM 1705 HB1 LYS 109 11.780 -36.872 17.439 1.00 38.16 ATOM 1706 HB2 LYS 109 13.365 -36.462 18.081 1.00 44.53 ATOM 1707 CG LYS 109 13.412 -37.482 16.214 1.00 40.12 ATOM 1708 HG1 LYS 109 14.436 -37.180 16.042 1.00 38.16 ATOM 1709 HG2 LYS 109 12.870 -37.463 15.279 1.00 3.34 ATOM 1710 CD LYS 109 13.401 -38.910 16.762 1.00 74.44 ATOM 1711 HD1 LYS 109 13.867 -39.563 16.038 1.00 38.16 ATOM 1712 HD2 LYS 109 12.376 -39.218 16.913 1.00 52.34 ATOM 1713 CE LYS 109 14.148 -39.028 18.087 1.00 70.42 ATOM 1714 HE1 LYS 109 13.657 -38.402 18.820 1.00 38.16 ATOM 1715 HE2 LYS 109 15.164 -38.688 17.949 1.00 60.41 ATOM 1716 NZ LYS 109 14.173 -40.428 18.588 1.00 14.13 ATOM 1717 HZ1 LYS 109 13.204 -40.782 18.711 1.00 12.22 ATOM 1718 HZ2 LYS 109 14.662 -40.470 19.504 1.00 74.51 ATOM 1719 HZ3 LYS 109 14.672 -41.043 17.916 1.00 40.53 ATOM 1720 C LYS 109 11.940 -34.183 17.681 1.00 75.24 ATOM 1721 O LYS 109 10.757 -33.857 17.570 1.00 43.31 ATOM 1722 N VAL 110 12.710 -33.789 18.692 1.00 23.11 ATOM 1723 HN VAL 110 13.644 -34.090 18.721 1.00 38.16 ATOM 1724 CA VAL 110 12.210 -32.925 19.763 1.00 12.32 ATOM 1725 HA VAL 110 11.399 -33.442 20.258 1.00 42.20 ATOM 1726 CB VAL 110 13.319 -32.639 20.806 1.00 0.14 ATOM 1727 HB VAL 110 14.084 -32.038 20.329 1.00 10.34 ATOM 1728 CG1 VAL 110 12.768 -31.844 21.989 1.00 55.35 ATOM 1729 HG11 VAL 110 11.979 -32.408 22.467 1.00 64.21 ATOM 1730 HG12 VAL 110 12.375 -30.900 21.640 1.00 35.13 ATOM 1731 HG13 VAL 110 13.560 -31.661 22.701 1.00 22.31 ATOM 1732 CG2 VAL 110 13.970 -33.941 21.275 1.00 75.11 ATOM 1733 HG21 VAL 110 13.219 -34.585 21.709 1.00 22.44 ATOM 1734 HG22 VAL 110 14.725 -33.721 22.015 1.00 42.22 ATOM 1735 HG23 VAL 110 14.428 -34.439 20.432 1.00 4.02 ATOM 1736 C VAL 110 11.690 -31.592 19.204 1.00 40.30 ATOM 1737 O VAL 110 10.538 -31.220 19.420 1.00 45.33 ATOM 1738 N LEU 111 12.548 -30.892 18.466 1.00 43.04 ATOM 1739 HN LEU 111 13.450 -31.251 18.324 1.00 38.16 ATOM 1740 CA LEU 111 12.198 -29.601 17.865 1.00 4.42 ATOM 1741 HA LEU 111 11.950 -28.921 18.669 1.00 2.43 ATOM 1742 CB LEU 111 13.404 -29.044 17.097 1.00 13.12 ATOM 1743 HB1 LEU 111 13.568 -29.670 16.231 1.00 38.16 ATOM 1744 HB2 LEU 111 14.273 -29.116 17.736 1.00 23.34 ATOM 1745 CG LEU 111 13.274 -27.587 16.619 1.00 72.04 ATOM 1746 HG LEU 111 12.411 -27.503 15.973 1.00 41.25 ATOM 1747 CD1 LEU 111 13.062 -26.645 17.803 1.00 35.31 ATOM 1748 HD11 LEU 111 13.894 -26.727 18.489 1.00 53.30 ATOM 1749 HD12 LEU 111 12.148 -26.909 18.314 1.00 54.22 ATOM 1750 HD13 LEU 111 12.990 -25.627 17.447 1.00 74.24 ATOM 1751 CD2 LEU 111 14.507 -27.178 15.814 1.00 4.12 ATOM 1752 HD21 LEU 111 14.604 -27.821 14.952 1.00 54.02 ATOM 1753 HD22 LEU 111 15.391 -27.268 16.430 1.00 32.32 ATOM 1754 HD23 LEU 111 14.401 -26.154 15.487 1.00 1.43 ATOM 1755 C LEU 111 10.982 -29.727 16.928 1.00 74.31 ATOM 1756 O LEU 111 10.077 -28.891 16.948 1.00 71.13 ATOM 1757 N SER 112 10.969 -30.783 16.113 1.00 43.24 ATOM 1758 HN SER 112 11.737 -31.393 16.115 1.00 38.16 ATOM 1759 CA SER 112 9.838 -31.061 15.213 1.00 44.10 ATOM 1760 HA SER 112 9.727 -30.215 14.548 1.00 24.53 ATOM 1761 CB SER 112 10.119 -32.319 14.379 1.00 3.03 ATOM 1762 HB1 SER 112 10.217 -33.170 15.039 1.00 38.16 ATOM 1763 HB2 SER 112 11.039 -32.185 13.830 1.00 44.14 ATOM 1764 OG SER 112 9.071 -32.579 13.452 1.00 23.12 ATOM 1765 HG SER 112 8.799 -33.505 13.528 1.00 60.14 ATOM 1766 C SER 112 8.535 -31.248 16.005 1.00 64.30 ATOM 1767 O SER 112 7.478 -30.740 15.621 1.00 1.04 ATOM 1768 N SER 113 8.629 -31.974 17.118 1.00 31.13 ATOM 1769 HN SER 113 9.494 -32.372 17.350 1.00 38.16 ATOM 1770 CA SER 113 7.481 -32.205 18.006 1.00 3.31 ATOM 1771 HA SER 113 6.681 -32.621 17.409 1.00 24.52 ATOM 1772 CB SER 113 7.855 -33.209 19.106 1.00 50.24 ATOM 1773 HB1 SER 113 8.630 -32.785 19.728 1.00 38.16 ATOM 1774 HB2 SER 113 8.221 -34.118 18.651 1.00 12.43 ATOM 1775 OG SER 113 6.740 -33.531 19.921 1.00 61.51 ATOM 1776 HG SER 113 6.332 -34.343 19.597 1.00 71.50 ATOM 1777 C SER 113 6.996 -30.892 18.640 1.00 52.52 ATOM 1778 O SER 113 5.793 -30.632 18.711 1.00 35.33 ATOM 1779 N LEU 114 7.943 -30.060 19.083 1.00 13.35 ATOM 1780 HN LEU 114 8.883 -30.332 19.010 1.00 38.16 ATOM 1781 CA LEU 114 7.624 -28.755 19.681 1.00 23.14 ATOM 1782 HA LEU 114 7.005 -28.934 20.549 1.00 61.42 ATOM 1783 CB LEU 114 8.913 -28.049 20.129 1.00 74.02 ATOM 1784 HB1 LEU 114 8.652 -27.063 20.489 1.00 38.16 ATOM 1785 HB2 LEU 114 9.554 -27.938 19.265 1.00 0.53 ATOM 1786 CG LEU 114 9.709 -28.767 21.232 1.00 42.54 ATOM 1787 HG LEU 114 9.965 -29.760 20.889 1.00 64.34 ATOM 1788 CD1 LEU 114 11.014 -28.029 21.527 1.00 43.35 ATOM 1789 HD11 LEU 114 10.796 -27.022 21.853 1.00 13.23 ATOM 1790 HD12 LEU 114 11.619 -27.994 20.633 1.00 71.41 ATOM 1791 HD13 LEU 114 11.555 -28.550 22.304 1.00 11.45 ATOM 1792 CD2 LEU 114 8.869 -28.911 22.501 1.00 0.22 ATOM 1793 HD21 LEU 114 7.987 -29.496 22.283 1.00 75.41 ATOM 1794 HD22 LEU 114 8.572 -27.932 22.852 1.00 10.31 ATOM 1795 HD23 LEU 114 9.449 -29.406 23.265 1.00 3.24 ATOM 1796 C LEU 114 6.853 -27.856 18.701 1.00 20.35 ATOM 1797 O LEU 114 5.886 -27.189 19.080 1.00 42.32 ATOM 1798 N VAL 115 7.285 -27.840 17.440 1.00 23.44 ATOM 1799 HN VAL 115 8.087 -28.356 17.204 1.00 38.16 ATOM 1800 CA VAL 115 6.597 -27.067 16.401 1.00 23.52 ATOM 1801 HA VAL 115 6.563 -26.035 16.730 1.00 75.44 ATOM 1802 CB VAL 115 7.361 -27.118 15.052 1.00 65.22 ATOM 1803 HB VAL 115 7.434 -28.152 14.741 1.00 54.20 ATOM 1804 CG1 VAL 115 6.613 -26.344 13.964 1.00 73.32 ATOM 1805 HG11 VAL 115 7.175 -26.383 13.041 1.00 60.23 ATOM 1806 HG12 VAL 115 6.495 -25.315 14.269 1.00 55.51 ATOM 1807 HG13 VAL 115 5.639 -26.786 13.810 1.00 13.24 ATOM 1808 CG2 VAL 115 8.778 -26.573 15.228 1.00 11.03 ATOM 1809 HG21 VAL 115 9.308 -26.629 14.288 1.00 70.01 ATOM 1810 HG22 VAL 115 9.302 -27.159 15.970 1.00 25.21 ATOM 1811 HG23 VAL 115 8.732 -25.543 15.555 1.00 61.44 ATOM 1812 C VAL 115 5.155 -27.566 16.207 1.00 31.22 ATOM 1813 O VAL 115 4.210 -26.774 16.183 1.00 11.13 ATOM 1814 N THR 116 4.986 -28.885 16.092 1.00 42.42 ATOM 1815 HN THR 116 5.777 -29.468 16.059 1.00 38.16 ATOM 1816 CA THR 116 3.647 -29.486 16.009 1.00 5.52 ATOM 1817 HA THR 116 3.159 -29.095 15.126 1.00 63.25 ATOM 1818 CB THR 116 3.709 -31.027 15.891 1.00 40.32 ATOM 1819 HB THR 116 4.183 -31.423 16.781 1.00 1.11 ATOM 1820 OG1 THR 116 4.486 -31.402 14.744 1.00 50.14 ATOM 1821 HG1 THR 116 4.735 -32.335 14.827 1.00 51.53 ATOM 1822 CG2 THR 116 2.307 -31.630 15.776 1.00 72.54 ATOM 1823 HG21 THR 116 1.728 -31.376 16.656 1.00 12.13 ATOM 1824 HG22 THR 116 2.382 -32.705 15.697 1.00 60.13 ATOM 1825 HG23 THR 116 1.816 -31.239 14.898 1.00 35.40 ATOM 1826 C THR 116 2.810 -29.128 17.240 1.00 4.33 ATOM 1827 O THR 116 1.612 -28.863 17.140 1.00 13.22 ATOM 1828 N LEU 117 3.459 -29.117 18.401 1.00 75.45 ATOM 1829 HN LEU 117 4.408 -29.363 18.414 1.00 38.16 ATOM 1830 CA LEU 117 2.805 -28.759 19.660 1.00 12.12 ATOM 1831 HA LEU 117 1.987 -29.450 19.810 1.00 25.42 ATOM 1832 CB LEU 117 3.802 -28.910 20.817 1.00 33.34 ATOM 1833 HB1 LEU 117 4.595 -28.189 20.674 1.00 38.16 ATOM 1834 HB2 LEU 117 4.231 -29.901 20.762 1.00 1.33 ATOM 1835 CG LEU 117 3.224 -28.712 22.228 1.00 22.53 ATOM 1836 HG LEU 117 2.808 -27.716 22.300 1.00 0.50 ATOM 1837 CD1 LEU 117 2.100 -29.706 22.504 1.00 13.50 ATOM 1838 HD11 LEU 117 2.480 -30.715 22.427 1.00 25.21 ATOM 1839 HD12 LEU 117 1.306 -29.565 21.785 1.00 10.53 ATOM 1840 HD13 LEU 117 1.713 -29.544 23.500 1.00 51.43 ATOM 1841 CD2 LEU 117 4.324 -28.837 23.279 1.00 23.50 ATOM 1842 HD21 LEU 117 4.788 -29.810 23.207 1.00 51.31 ATOM 1843 HD22 LEU 117 3.896 -28.716 24.265 1.00 22.11 ATOM 1844 HD23 LEU 117 5.067 -28.071 23.116 1.00 2.32 ATOM 1845 C LEU 117 2.243 -27.325 19.605 1.00 71.13 ATOM 1846 O LEU 117 1.143 -27.053 20.092 1.00 4.03 ATOM 1847 N ASN 118 3.000 -26.409 19.004 1.00 0.32 ATOM 1848 HN ASN 118 3.906 -26.656 18.710 1.00 38.16 ATOM 1849 CA ASN 118 2.524 -25.038 18.783 1.00 12.03 ATOM 1850 HA ASN 118 2.185 -24.652 19.735 1.00 70.34 ATOM 1851 CB ASN 118 3.672 -24.158 18.270 1.00 55.13 ATOM 1852 HB1 ASN 118 4.060 -24.582 17.353 1.00 38.16 ATOM 1853 HB2 ASN 118 4.461 -24.138 19.010 1.00 13.15 ATOM 1854 CG ASN 118 3.241 -22.726 17.992 1.00 62.33 ATOM 1855 OD1 ASN 118 2.846 -22.388 16.880 1.00 41.02 ATOM 1856 ND2 ASN 118 3.302 -21.872 18.997 1.00 52.20 ATOM 1857 HD21 ASN 118 3.620 -22.195 19.866 1.00 51.30 ATOM 1858 HD22 ASN 118 3.025 -20.948 18.831 1.00 63.44 ATOM 1859 C ASN 118 1.343 -25.015 17.792 1.00 72.11 ATOM 1860 O ASN 118 0.373 -24.277 17.978 1.00 64.03 ATOM 1861 N LYS 119 1.432 -25.842 16.749 1.00 62.45 ATOM 1862 HN LYS 119 2.235 -26.398 16.657 1.00 38.16 ATOM 1863 CA LYS 119 0.375 -25.942 15.730 1.00 60.12 ATOM 1864 HA LYS 119 0.224 -24.957 15.313 1.00 43.41 ATOM 1865 CB LYS 119 0.810 -26.894 14.607 1.00 42.22 ATOM 1866 HB1 LYS 119 -0.004 -26.993 13.901 1.00 38.16 ATOM 1867 HB2 LYS 119 1.016 -27.865 15.037 1.00 64.13 ATOM 1868 CG LYS 119 2.052 -26.439 13.843 1.00 33.42 ATOM 1869 HG1 LYS 119 2.857 -26.276 14.546 1.00 38.16 ATOM 1870 HG2 LYS 119 1.830 -25.515 13.329 1.00 22.23 ATOM 1871 CD LYS 119 2.495 -27.481 12.816 1.00 64.21 ATOM 1872 HD1 LYS 119 2.713 -28.408 13.327 1.00 38.16 ATOM 1873 HD2 LYS 119 3.389 -27.126 12.321 1.00 5.24 ATOM 1874 CE LYS 119 1.421 -27.736 11.765 1.00 75.51 ATOM 1875 HE1 LYS 119 1.298 -26.842 11.169 1.00 38.16 ATOM 1876 HE2 LYS 119 0.492 -27.966 12.263 1.00 30.04 ATOM 1877 NZ LYS 119 1.777 -28.867 10.869 1.00 12.43 ATOM 1878 HZ1 LYS 119 1.847 -29.748 11.414 1.00 3.41 ATOM 1879 HZ2 LYS 119 2.691 -28.691 10.408 1.00 21.32 ATOM 1880 HZ3 LYS 119 1.048 -28.988 10.133 1.00 70.51 ATOM 1881 C LYS 119 -0.956 -26.436 16.326 1.00 42.43 ATOM 1882 O LYS 119 -2.003 -25.815 16.136 1.00 0.14 ATOM 1883 N VAL 120 -0.911 -27.562 17.038 1.00 55.12 ATOM 1884 HN VAL 120 -0.046 -27.998 17.184 1.00 38.16 ATOM 1885 CA VAL 120 -2.122 -28.161 17.614 1.00 71.32 ATOM 1886 HA VAL 120 -2.822 -28.315 16.801 1.00 2.52 ATOM 1887 CB VAL 120 -1.829 -29.546 18.254 1.00 12.25 ATOM 1888 HB VAL 120 -2.741 -29.909 18.708 1.00 43.33 ATOM 1889 CG1 VAL 120 -1.397 -30.557 17.192 1.00 11.42 ATOM 1890 HG11 VAL 120 -0.490 -30.215 16.714 1.00 45.41 ATOM 1891 HG12 VAL 120 -2.176 -30.658 16.449 1.00 14.43 ATOM 1892 HG13 VAL 120 -1.218 -31.518 17.656 1.00 3.32 ATOM 1893 CG2 VAL 120 -0.767 -29.433 19.347 1.00 75.21 ATOM 1894 HG21 VAL 120 -0.548 -30.417 19.742 1.00 51.43 ATOM 1895 HG22 VAL 120 -1.132 -28.800 20.144 1.00 50.33 ATOM 1896 HG23 VAL 120 0.134 -29.005 18.933 1.00 34.34 ATOM 1897 C VAL 120 -2.787 -27.235 18.652 1.00 43.21 ATOM 1898 O VAL 120 -4.013 -27.135 18.712 1.00 14.34 ATOM 1899 N THR 121 -1.978 -26.541 19.454 1.00 72.42 ATOM 1900 HN THR 121 -1.006 -26.653 19.368 1.00 38.16 ATOM 1901 CA THR 121 -2.508 -25.612 20.462 1.00 61.25 ATOM 1902 HA THR 121 -3.289 -26.130 21.004 1.00 11.44 ATOM 1903 CB THR 121 -1.425 -25.190 21.480 1.00 61.31 ATOM 1904 HB THR 121 -1.847 -24.454 22.150 1.00 70.34 ATOM 1905 OG1 THR 121 -0.295 -24.611 20.805 1.00 33.33 ATOM 1906 HG1 THR 121 0.413 -25.267 20.744 1.00 25.32 ATOM 1907 CG2 THR 121 -0.974 -26.390 22.304 1.00 64.45 ATOM 1908 HG21 THR 121 -1.822 -26.811 22.825 1.00 51.41 ATOM 1909 HG22 THR 121 -0.233 -26.074 23.023 1.00 40.32 ATOM 1910 HG23 THR 121 -0.544 -27.137 21.651 1.00 34.02 ATOM 1911 C THR 121 -3.118 -24.361 19.819 1.00 32.13 ATOM 1912 O THR 121 -4.052 -23.767 20.362 1.00 71.53 ATOM 1913 N ALA 122 -2.596 -23.968 18.656 1.00 64.55 ATOM 1914 HN ALA 122 -1.791 -24.416 18.318 1.00 38.16 ATOM 1915 CA ALA 122 -3.183 -22.871 17.880 1.00 72.20 ATOM 1916 HA ALA 122 -3.146 -21.976 18.488 1.00 11.34 ATOM 1917 CB ALA 122 -2.372 -22.618 16.613 1.00 12.13 ATOM 1918 HB1 ALA 122 -2.782 -21.768 16.085 1.00 1.23 ATOM 1919 HB2 ALA 122 -2.415 -23.490 15.977 1.00 1.23 ATOM 1920 HB3 ALA 122 -1.345 -22.416 16.877 1.00 72.52 ATOM 1921 C ALA 122 -4.648 -23.173 17.528 1.00 53.22 ATOM 1922 O ALA 122 -5.502 -22.284 17.560 1.00 24.12 ATOM 1923 N ASP 123 -4.925 -24.435 17.196 1.00 42.55 ATOM 1924 HN ASP 123 -4.186 -25.077 17.128 1.00 38.16 ATOM 1925 CA ASP 123 -6.294 -24.896 16.923 1.00 11.54 ATOM 1926 HA ASP 123 -6.750 -24.189 16.241 1.00 32.22 ATOM 1927 CB ASP 123 -6.255 -26.279 16.255 1.00 34.11 ATOM 1928 HB1 ASP 123 -5.632 -26.938 16.844 1.00 38.16 ATOM 1929 HB2 ASP 123 -5.828 -26.182 15.267 1.00 63.15 ATOM 1930 CG ASP 123 -7.634 -26.909 16.120 1.00 24.43 ATOM 1931 OD1 ASP 123 -7.968 -27.806 16.927 1.00 45.21 ATOM 1932 OD2 ASP 123 -8.396 -26.509 15.219 1.00 70.03 ATOM 1933 C ASP 123 -7.132 -24.946 18.212 1.00 14.14 ATOM 1934 O ASP 123 -8.286 -24.509 18.232 1.00 42.44 ATOM 1935 N ILE 124 -6.545 -25.483 19.284 1.00 52.34 ATOM 1936 HN ILE 124 -5.640 -25.852 19.193 1.00 38.16 ATOM 1937 CA ILE 124 -7.216 -25.553 20.593 1.00 11.24 ATOM 1938 HA ILE 124 -8.099 -26.171 20.481 1.00 54.34 ATOM 1939 CB ILE 124 -6.297 -26.209 21.660 1.00 20.23 ATOM 1940 HB ILE 124 -5.399 -25.614 21.741 1.00 2.35 ATOM 1941 CG1 ILE 124 -5.913 -27.636 21.225 1.00 0.32 ATOM 1942 HG11 ILE 124 -5.449 -27.596 20.250 1.00 38.16 ATOM 1943 HG12 ILE 124 -6.806 -28.242 21.165 1.00 22.41 ATOM 1944 CG2 ILE 124 -6.976 -26.228 23.032 1.00 14.23 ATOM 1945 HG21 ILE 124 -6.312 -26.674 23.759 1.00 2.50 ATOM 1946 HG22 ILE 124 -7.889 -26.805 22.978 1.00 4.44 ATOM 1947 HG23 ILE 124 -7.209 -25.216 23.333 1.00 72.03 ATOM 1948 CD1 ILE 124 -4.950 -28.330 22.168 1.00 44.01 ATOM 1949 HD11 ILE 124 -4.026 -27.772 22.217 1.00 71.44 ATOM 1950 HD12 ILE 124 -4.748 -29.327 21.807 1.00 3.11 ATOM 1951 HD13 ILE 124 -5.388 -28.388 23.154 1.00 13.41 ATOM 1952 C ILE 124 -7.650 -24.156 21.077 1.00 22.20 ATOM 1953 O ILE 124 -8.699 -24.003 21.707 1.00 43.35 ATOM 1954 N GLY 125 -6.835 -23.144 20.778 1.00 54.32 ATOM 1955 HN GLY 125 -5.993 -23.335 20.315 1.00 38.16 ATOM 1956 CA GLY 125 -7.181 -21.766 21.124 1.00 53.02 ATOM 1957 HA1 GLY 125 -8.081 -21.771 21.725 1.00 38.16 ATOM 1958 HA2 GLY 125 -7.382 -21.224 20.211 1.00 41.33 ATOM 1959 C GLY 125 -6.087 -21.033 21.894 1.00 30.43 ATOM 1960 O GLY 125 -6.379 -20.200 22.757 1.00 63.21 ATOM 1961 N LEU 126 -4.825 -21.333 21.583 1.00 62.44 ATOM 1962 HN LEU 126 -4.653 -22.017 20.904 1.00 38.16 ATOM 1963 HA LEU 126 -4.054 -19.844 22.816 1.00 4.22 ATOM 1964 CB LEU 126 -2.973 -21.664 23.182 1.00 12.22 ATOM 1965 HB1 LEU 126 -2.104 -21.174 23.597 1.00 38.16 ATOM 1966 HB2 LEU 126 -2.640 -22.512 22.598 1.00 74.45 ATOM 1967 CG LEU 126 -3.830 -22.186 24.349 1.00 44.24 ATOM 1968 HG LEU 126 -4.722 -22.654 23.952 1.00 60.44 ATOM 1969 CD1 LEU 126 -3.064 -23.239 25.145 1.00 65.34 ATOM 1970 HD11 LEU 126 -3.681 -23.601 25.956 1.00 14.01 ATOM 1971 HD12 LEU 126 -2.162 -22.803 25.548 1.00 43.25 ATOM 1972 HD13 LEU 126 -2.805 -24.064 24.496 1.00 41.24 ATOM 1973 CD2 LEU 126 -4.266 -21.034 25.259 1.00 21.44 ATOM 1974 HD21 LEU 126 -3.393 -20.553 25.678 1.00 72.45 ATOM 1975 HD22 LEU 126 -4.883 -21.418 26.059 1.00 12.02 ATOM 1976 HD23 LEU 126 -4.833 -20.313 24.686 1.00 50.23 ATOM 1977 CA LEU 126 -3.677 -20.676 22.233 1.00 33.25 ATOM 1978 C LEU 126 -2.679 -20.131 21.189 1.00 12.23 ATOM 1979 OT1 LEU 126 -1.792 -20.894 20.744 1.00 38.16 ATOM 1980 OT2 LEU 126 -2.789 -18.939 20.813 1.00 38.16 ATOM 1981 OH2 TIP3 1 -7.801 -42.141 14.582 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.612 -42.651 15.397 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.937 -41.762 14.332 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -5.637 -45.701 17.107 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -5.099 -46.262 17.700 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -4.985 -45.179 16.618 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -12.606 -39.969 17.286 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -12.822 -40.702 16.698 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -13.418 -39.407 17.277 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -2.623 -41.564 16.447 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -3.391 -42.152 16.271 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -2.864 -40.717 16.003 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.216 -41.110 14.076 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -4.588 -40.482 14.494 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -5.355 -40.742 13.176 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -0.112 -45.564 21.971 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -0.407 -44.856 21.360 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -0.577 -45.366 22.810 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -7.287 -43.565 16.920 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -7.949 -43.484 17.635 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -6.903 -44.465 17.051 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -4.778 -43.131 15.890 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -4.942 -42.565 15.105 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -5.660 -43.215 16.312 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -12.014 -42.033 21.284 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -12.242 -41.750 22.193 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -12.111 -41.215 20.748 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -12.007 -39.627 19.996 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -12.222 -39.668 19.037 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -12.579 -38.911 20.341 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -7.781 -38.440 19.225 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -8.347 -38.634 20.001 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -8.125 -37.587 18.885 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -3.477 -44.131 21.203 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -3.415 -43.384 21.842 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -2.641 -44.074 20.692 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -9.998 -39.569 16.263 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -10.831 -39.489 16.768 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -10.167 -40.313 15.645 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.808 -44.716 22.000 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.653 -44.928 21.574 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.130 -45.114 21.406 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -3.503 -39.260 15.272 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -4.042 -38.717 15.894 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -3.061 -38.595 14.706 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -9.585 -38.994 21.186 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -9.354 -39.882 21.537 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.448 -39.132 20.741 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -10.617 -44.383 20.931 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -10.706 -44.783 21.825 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -11.321 -43.703 20.907 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -1.980 -46.406 16.842 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -1.686 -45.477 17.004 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -2.041 -46.471 15.883 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -3.807 -46.912 18.810 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -3.234 -47.127 19.576 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -3.181 -46.842 18.058 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -0.413 -47.867 18.626 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -0.960 -47.460 17.929 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -0.985 -47.856 19.417 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -2.999 -42.063 22.870 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -2.844 -42.268 23.814 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -2.287 -41.430 22.641 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.214 -43.816 17.292 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -1.771 -43.066 16.990 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -0.310 -43.463 17.266 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -1.000 -43.790 20.063 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -0.221 -43.185 20.002 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.213 -43.988 19.131 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -5.554 -39.542 11.849 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -4.640 -39.161 11.893 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -5.792 -39.472 10.919 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -14.962 -38.655 17.422 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -15.155 -38.422 18.359 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -15.698 -38.280 16.930 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -15.469 -37.933 20.012 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -14.678 -37.940 20.591 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -16.117 -37.425 20.507 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -9.255 -43.119 18.869 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -10.033 -42.837 18.370 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -9.621 -43.691 19.582 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.063 -38.484 12.074 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.119 -38.593 11.834 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.047 -37.804 12.774 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -3.574 -43.862 32.725 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -3.971 -43.721 33.609 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -2.641 -44.084 32.917 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.904 -39.558 35.789 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.944 -39.722 35.955 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -5.261 -39.367 36.672 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -2.272 -42.121 35.145 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -3.196 -42.409 35.257 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -2.192 -41.335 35.736 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -6.855 -41.403 29.795 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.995 -41.002 29.635 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.645 -42.238 30.263 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.812 -43.621 31.157 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -5.948 -44.473 30.686 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -4.970 -43.754 31.646 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 0.979 -39.493 39.952 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 1.849 -39.556 39.537 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 0.367 -39.883 39.288 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 0.561 -46.051 37.831 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 0.763 -46.602 37.044 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -0.387 -45.807 37.718 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.992 -45.667 36.023 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.700 -46.294 35.855 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.354 -44.810 35.720 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.520 -39.323 30.746 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -8.522 -39.632 31.658 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -8.057 -40.031 30.255 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -8.762 -38.717 26.920 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.196 -38.237 26.272 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -8.794 -38.123 27.704 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -4.338 -39.978 33.019 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -5.097 -40.607 33.037 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -4.489 -39.410 33.796 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -1.999 -47.323 20.875 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -2.595 -47.320 21.647 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -1.204 -46.843 21.189 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -5.766 -46.017 29.896 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -6.216 -46.333 29.107 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.936 -46.509 29.911 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -0.861 -43.573 33.384 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -1.305 -42.987 34.047 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.071 -43.894 33.844 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -6.653 -43.182 24.012 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -7.360 -42.900 24.605 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -7.087 -43.824 23.408 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -5.258 -42.403 37.677 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.361 -42.473 38.070 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -5.728 -41.808 38.269 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 1.787 -42.546 39.853 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 1.937 -43.391 40.328 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 1.048 -42.130 40.344 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -4.856 -43.188 35.147 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.433 -42.654 34.557 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -5.105 -42.889 36.060 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -2.780 -42.933 25.634 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -3.716 -42.942 25.872 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -2.321 -42.780 26.482 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -1.703 -45.203 24.246 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -2.066 -44.418 24.705 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -2.496 -45.670 23.905 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -9.412 -41.652 21.933 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -9.462 -41.898 22.880 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -10.285 -41.911 21.574 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -10.033 -42.342 24.512 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -10.838 -41.788 24.451 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -9.588 -42.032 25.337 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -8.726 -41.417 26.730 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -8.754 -40.431 26.712 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -8.455 -41.626 27.635 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -12.275 -40.818 23.772 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -13.151 -40.716 24.160 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -11.902 -39.905 23.776 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.995 -40.178 40.608 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -1.636 -40.179 39.700 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.449 -40.843 41.077 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -10.777 -44.851 23.610 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -10.881 -45.356 24.420 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -10.452 -43.976 23.911 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -5.704 -45.636 20.518 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -5.000 -44.968 20.651 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -5.328 -46.246 19.859 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -1.972 -44.985 37.760 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -2.640 -45.339 37.127 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -2.263 -44.060 37.920 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -3.791 -46.342 22.805 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -4.714 -46.614 22.730 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -3.724 -45.559 22.214 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -11.476 -38.231 23.901 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -11.535 -37.910 24.825 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -10.685 -37.772 23.542 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -0.783 -45.033 43.043 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -1.487 -44.441 43.380 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -0.956 -45.084 42.078 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 0.043 -44.980 28.181 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -0.204 -44.670 29.077 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 0.207 -44.147 27.676 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -2.063 -42.482 28.776 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.545 -42.041 29.503 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -1.368 -42.987 29.227 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -0.304 -43.884 30.693 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -0.705 -43.736 31.575 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 0.580 -44.265 30.900 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -0.903 -44.655 40.339 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -1.497 -44.783 39.571 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.045 -44.981 40.029 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -3.057 -41.612 31.203 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -3.209 -42.454 31.679 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.540 -40.945 31.742 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -7.843 -37.606 36.858 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -7.018 -37.347 37.309 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -8.413 -36.821 36.939 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -6.288 -41.904 33.190 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -7.225 -41.927 33.491 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.262 -42.540 32.444 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.693 -42.490 38.628 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.813 -42.428 39.603 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -2.039 -41.784 38.417 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -0.371 -42.174 41.552 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -0.670 -43.043 41.199 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -0.331 -42.308 42.513 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -2.539 -36.782 42.924 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -2.258 -37.199 43.761 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.806 -36.987 42.295 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -1.712 -43.759 46.398 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.754 -43.601 46.267 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -1.750 -44.388 47.125 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.481 -42.995 43.895 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.903 -42.211 43.976 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.545 -43.335 44.815 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -0.314 -41.368 44.368 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 0.151 -42.087 44.859 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -0.179 -40.580 44.918 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.494 -42.491 41.323 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.681 -41.555 41.469 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -3.306 -42.840 42.216 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 0.409 -46.020 45.309 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -0.075 -45.775 44.489 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 0.416 -46.980 45.302 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -10.289 -26.712 18.030 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -10.420 -25.773 17.795 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -9.402 -26.926 17.673 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -6.876 -32.283 16.038 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -7.183 -31.619 15.381 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -6.233 -32.822 15.547 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -8.645 -29.563 11.501 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -8.810 -28.609 11.550 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -9.327 -29.950 12.080 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -10.347 -28.805 15.979 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -10.941 -28.268 16.525 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -9.473 -28.355 16.066 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.195 -33.248 13.887 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.420 -34.196 14.085 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -5.750 -33.025 13.118 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -11.696 -27.431 20.251 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -11.168 -27.118 19.479 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -11.033 -27.564 20.959 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -10.483 -41.803 14.734 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -10.853 -42.360 14.045 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.507 -41.916 14.637 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -6.506 -31.262 12.022 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -6.767 -31.005 12.930 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -7.151 -30.793 11.454 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -3.920 -28.236 12.020 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.249 -27.321 11.884 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -4.112 -28.420 12.962 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -11.744 -28.451 11.897 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -10.973 -28.038 12.320 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -11.751 -29.351 12.247 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -9.406 -27.057 12.764 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -9.008 -26.932 13.665 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -9.961 -26.252 12.637 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -10.296 -30.227 13.654 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -10.828 -31.029 13.888 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -10.425 -29.626 14.421 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -11.173 -29.973 19.373 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -11.209 -30.536 20.178 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -11.586 -29.129 19.654 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -3.986 -30.812 11.101 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.894 -29.858 11.323 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -4.873 -31.051 11.454 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -13.074 -25.400 21.594 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -12.975 -26.208 21.055 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -12.243 -25.366 22.122 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -8.117 -22.255 15.156 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -8.359 -21.951 16.051 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -8.786 -22.940 14.948 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.994 -25.708 11.738 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -5.893 -25.922 11.413 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -5.120 -24.875 12.251 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -5.761 -23.452 13.095 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -6.721 -23.363 13.110 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -5.447 -22.732 13.675 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -7.628 -30.321 14.312 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -7.435 -29.386 14.474 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -8.574 -30.330 14.051 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -7.171 -32.970 21.867 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -6.488 -33.652 21.971 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.063 -32.659 20.937 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -11.626 -34.947 14.500 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -11.111 -35.543 15.091 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -11.649 -35.414 13.662 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.457 -29.520 19.049 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -8.292 -28.843 18.355 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -9.431 -29.630 19.051 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -5.581 -35.829 14.559 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.130 -36.581 14.240 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -5.046 -36.218 15.267 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -11.691 -32.244 14.727 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.770 -33.221 14.643 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -11.457 -32.104 15.664 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -8.778 -33.366 17.637 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -9.557 -32.797 17.461 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -8.105 -33.055 16.988 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -9.209 -24.919 9.117 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -9.997 -25.500 9.228 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -8.759 -25.271 8.316 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -11.482 -24.253 17.257 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -12.376 -24.604 17.333 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -11.557 -23.332 17.593 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -5.938 -27.388 8.925 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -6.484 -27.091 9.690 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -6.075 -28.343 8.892 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -8.365 -30.291 21.859 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -7.795 -31.034 22.137 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -8.099 -30.116 20.934 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 0.097 -32.440 9.240 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -0.524 -32.251 9.974 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 0.103 -33.399 9.180 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.355 -26.317 9.309 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -4.164 -26.727 8.945 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -3.650 -25.926 10.148 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -10.771 -24.741 12.436 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -10.593 -23.947 11.881 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -10.578 -24.441 13.351 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -11.350 -26.282 10.172 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -11.338 -25.683 10.941 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.717 -27.115 10.526 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -10.129 -22.836 10.610 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -10.286 -22.072 10.054 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -9.743 -23.505 10.000 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -7.555 -25.979 7.187 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -6.904 -26.455 7.745 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.231 -26.101 6.292 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -1.639 -32.222 11.401 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -1.227 -31.824 12.193 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.462 -31.697 11.269 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -5.729 -35.739 18.816 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -5.108 -35.056 18.532 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -5.710 -35.689 19.792 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -7.556 -26.302 10.860 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -8.103 -25.703 10.305 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -8.160 -26.578 11.579 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -7.216 -31.919 19.392 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -7.541 -31.033 19.126 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -7.712 -32.537 18.816 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -5.882 -29.707 16.653 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -6.191 -30.620 16.803 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -6.645 -29.148 16.911 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -11.739 -22.355 23.274 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -12.185 -22.554 22.419 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.301 -21.495 23.114 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -9.981 -28.137 22.385 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -9.285 -28.803 22.194 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -10.507 -28.544 23.110 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.889 -31.288 21.779 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.963 -30.983 21.895 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -11.339 -30.987 22.580 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.094 -36.786 15.858 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -9.495 -36.497 16.572 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -9.995 -37.755 15.844 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.602 -31.350 17.096 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.428 -30.532 16.589 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.957 -31.025 17.951 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -8.318 -36.065 17.966 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.651 -35.144 17.905 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.368 -35.958 18.183 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.646 -34.127 22.265 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.272 -33.435 22.000 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -8.765 -33.728 22.102 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -7.493 -37.661 24.745 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -8.189 -37.267 24.173 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -6.932 -38.149 24.130 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -9.305 -36.856 22.849 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -9.500 -35.974 22.460 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.356 -37.475 22.087 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -0.930 -28.666 9.913 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -1.026 -28.148 9.086 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -1.822 -28.676 10.288 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -3.241 -31.286 14.256 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -4.001 -31.903 14.203 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -3.654 -30.404 14.348 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -4.343 -31.937 8.432 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -4.538 -31.822 9.376 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -3.436 -31.628 8.341 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -4.307 -28.755 14.706 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.885 -29.137 15.413 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -3.974 -27.937 15.092 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -2.465 -36.852 14.222 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -2.564 -35.982 13.773 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -1.665 -36.755 14.750 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -5.591 -21.407 14.958 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -6.562 -21.532 14.851 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -5.440 -21.565 15.902 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -12.855 -22.793 20.831 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -12.804 -22.679 19.874 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -13.078 -23.742 20.952 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.739 -21.707 18.279 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -11.415 -21.317 19.115 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.907 -20.921 17.701 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -8.954 -21.961 17.875 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.711 -22.896 18.047 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -9.923 -21.976 17.802 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.927 -24.306 14.998 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.503 -24.312 15.792 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -9.345 -25.099 15.115 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -7.203 -39.580 16.891 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -8.086 -39.665 16.475 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.395 -39.183 17.774 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -5.101 -37.733 16.848 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -5.330 -37.106 17.560 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -5.881 -38.321 16.786 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -2.567 -34.342 13.057 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -3.404 -34.008 13.422 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.327 -33.689 12.375 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -6.693 -38.282 14.066 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -6.798 -38.941 14.765 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -6.411 -38.800 13.288 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -1.205 -27.086 7.668 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -1.941 -26.607 8.114 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -0.693 -26.377 7.216 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -13.271 -37.764 21.721 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.624 -38.098 22.372 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -13.542 -36.889 22.089 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -8.391 -21.577 31.265 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -9.277 -21.259 31.010 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -7.833 -21.372 30.490 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -11.416 -29.104 32.867 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -11.701 -28.762 31.985 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -12.124 -28.840 33.462 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.171 -31.009 29.331 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -8.891 -30.953 30.255 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -8.323 -31.004 28.822 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.633 -34.844 34.308 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.783 -35.759 34.043 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.412 -34.903 35.262 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -4.086 -22.683 31.784 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -5.038 -22.851 31.677 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -3.837 -22.176 30.979 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -2.996 -27.681 35.551 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -2.141 -28.161 35.417 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -2.782 -26.750 35.337 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -7.023 -30.812 27.679 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -7.272 -30.144 27.011 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -6.449 -31.420 27.201 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -7.263 -31.703 24.516 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -7.900 -32.406 24.764 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.557 -32.184 24.049 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.829 -31.666 31.766 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -11.064 -32.207 32.058 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -11.706 -30.816 32.224 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -6.775 -23.032 32.911 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.469 -22.690 32.299 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.670 -22.326 33.563 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -10.592 -20.929 29.521 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -10.058 -21.612 29.074 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -11.345 -20.794 28.926 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -1.316 -24.954 38.886 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -1.062 -24.071 38.557 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -2.287 -24.950 38.839 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -7.913 -20.887 25.034 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.311 -20.778 24.280 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -7.787 -20.068 25.559 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -6.982 -21.256 28.874 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -7.776 -21.695 28.494 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -6.242 -21.671 28.415 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -0.894 -34.448 40.096 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -1.321 -33.856 39.432 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -0.078 -34.750 39.652 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -7.680 -39.841 35.292 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -7.904 -39.036 35.810 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -6.704 -39.869 35.313 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -1.536 -32.855 37.996 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -1.886 -31.964 37.787 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -0.964 -33.070 37.236 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -10.331 -30.026 26.979 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -9.498 -29.723 26.546 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.042 -30.318 27.872 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -7.825 -32.908 38.548 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -7.192 -32.396 38.010 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -7.751 -32.516 39.430 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.752 -35.529 23.200 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -14.328 -34.795 23.421 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -12.993 -35.434 23.823 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.568 -31.100 32.947 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -6.783 -30.568 32.680 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -7.264 -31.594 33.741 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -10.149 -34.925 30.496 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -10.648 -34.332 29.906 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -9.852 -34.341 31.220 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -8.773 -33.935 25.010 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -9.294 -34.283 24.260 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.446 -33.709 25.685 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -11.317 -32.688 29.262 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -10.517 -32.119 29.287 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -11.818 -32.425 30.064 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -7.108 -32.722 35.137 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -7.972 -33.140 35.266 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -6.469 -33.465 35.225 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -10.689 -25.050 28.086 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -10.989 -25.912 28.429 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.527 -24.583 27.848 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -7.197 -26.991 35.160 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -7.665 -27.570 34.511 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -7.876 -26.769 35.807 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -9.530 -26.024 25.777 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.387 -25.225 25.257 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.751 -25.693 26.672 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -3.760 -23.888 37.704 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -3.945 -24.476 36.958 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -4.400 -23.146 37.589 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 0.987 -28.258 37.136 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 0.989 -27.299 36.994 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 0.383 -28.599 36.435 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.631 -28.402 30.527 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -13.297 -29.028 30.229 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -12.305 -27.985 29.700 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -5.479 -24.706 34.786 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -6.025 -25.504 34.933 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -5.969 -24.205 34.101 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -1.413 -22.453 37.518 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -2.300 -22.845 37.662 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -1.451 -22.114 36.599 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -10.621 -25.466 22.777 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.940 -24.855 22.421 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -10.220 -26.354 22.686 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -12.106 -26.852 25.388 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -12.603 -26.072 25.062 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -11.167 -26.560 25.371 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -4.809 -35.900 33.500 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -5.085 -36.047 32.592 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -4.526 -34.959 33.519 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.177 -22.747 28.027 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.572 -23.621 28.243 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.432 -22.597 27.091 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.834 -32.888 26.574 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.775 -31.924 26.453 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.097 -32.993 27.517 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -6.018 -35.167 35.859 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -5.687 -35.703 36.612 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -5.584 -35.565 35.073 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.585 -37.281 29.150 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.300 -37.950 29.811 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.726 -36.465 29.681 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -12.920 -23.770 27.169 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -13.185 -23.974 26.252 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -12.863 -22.797 27.192 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -11.897 -35.074 25.139 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -11.603 -35.836 25.679 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -11.600 -34.293 25.647 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 1.692 -32.607 38.297 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 1.309 -32.972 37.476 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 1.161 -31.798 38.467 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -2.755 -25.034 34.983 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -2.342 -24.525 34.253 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -3.722 -24.895 34.853 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -11.372 -29.313 24.445 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -11.844 -28.486 24.688 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -11.078 -29.676 25.302 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -5.341 -28.704 36.369 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.999 -28.129 35.935 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -4.474 -28.318 36.101 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -11.771 -27.678 28.013 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -11.275 -28.475 27.755 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -12.107 -27.321 27.162 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -8.076 -29.367 25.560 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.052 -28.614 24.954 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.748 -30.127 25.019 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -8.781 -28.674 33.653 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -8.363 -29.511 33.376 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -9.719 -28.777 33.389 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.099 -31.188 37.157 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.365 -31.639 36.329 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -5.828 -30.286 36.863 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.556 -34.881 36.821 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -8.499 -34.200 37.535 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.626 -34.987 36.521 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -5.512 -36.621 38.140 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -5.195 -37.523 38.363 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -5.189 -36.071 38.866 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -12.079 -21.091 27.016 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -12.220 -20.335 26.419 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -11.357 -21.597 26.590 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 0.376 -20.362 35.191 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 0.284 -19.392 35.173 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -0.532 -20.695 35.042 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.230 -30.890 39.864 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.508 -30.314 40.117 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.154 -30.960 38.890 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -0.301 -25.570 36.364 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -1.090 -25.327 35.844 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -0.609 -25.542 37.288 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -2.084 -30.268 37.293 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -1.586 -29.952 36.496 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -2.964 -29.884 37.187 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -0.777 -31.391 42.222 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 0.057 -31.623 41.766 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -1.288 -32.228 42.229 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.808 -21.577 29.576 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.166 -21.012 29.092 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -2.626 -22.478 29.232 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -5.200 -21.712 36.993 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -5.072 -21.749 36.020 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.499 -20.815 37.157 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -1.960 -21.727 34.885 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.924 -21.601 34.769 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.713 -22.350 34.168 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -9.538 -32.966 32.369 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -9.538 -33.587 33.135 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -8.806 -32.344 32.564 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -8.812 -42.040 34.231 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -9.558 -42.311 34.767 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.517 -41.190 34.639 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -11.161 -37.336 26.579 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -11.252 -37.097 27.516 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -10.374 -37.917 26.562 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.147 -22.324 25.507 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -9.347 -21.828 25.205 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -10.652 -22.492 24.681 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -4.652 -39.212 38.603 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -4.504 -39.122 39.570 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -3.819 -39.587 38.267 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.033 -38.537 41.275 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -3.780 -37.825 41.894 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.206 -39.054 41.156 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 2.175 -27.777 43.231 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 1.291 -27.743 42.819 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 2.288 -28.726 43.471 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 0.309 -30.287 38.824 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -0.617 -30.316 38.507 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 0.688 -29.495 38.373 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -0.419 -28.565 42.249 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -0.469 -29.522 42.034 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -1.133 -28.430 42.881 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -1.767 -34.030 42.642 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -2.251 -34.849 42.865 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -1.434 -34.193 41.731 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -0.577 -37.251 41.118 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -0.008 -37.893 40.660 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -0.471 -36.431 40.608 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -2.432 -17.281 15.843 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -2.285 -17.474 16.795 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -3.377 -17.412 15.719 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -0.029 -18.975 19.640 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -0.795 -19.247 20.190 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 0.170 -19.776 19.105 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -2.129 -17.600 18.519 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -1.173 -17.780 18.616 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -2.533 -18.076 19.281 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -7.046 -17.715 19.724 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -6.499 -18.433 19.323 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -6.738 -16.903 19.277 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -2.282 -14.577 12.916 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.162 -15.048 12.082 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.975 -13.938 12.730 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -1.172 -14.438 18.887 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -0.297 -14.866 18.960 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -1.478 -14.674 18.006 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -2.345 -14.349 21.383 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -2.084 -14.205 20.446 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -2.919 -15.145 21.352 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -3.945 -16.576 21.452 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -4.737 -16.762 21.993 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -3.549 -17.466 21.295 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -9.314 -15.416 17.486 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -9.817 -14.669 17.830 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -8.407 -15.289 17.861 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.490 -16.133 18.819 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -3.650 -16.501 18.491 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -4.390 -16.150 19.793 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -12.171 -17.068 15.436 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -11.391 -16.532 15.170 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -12.896 -16.692 14.933 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -6.344 -17.602 22.398 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -6.184 -18.555 22.585 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -6.654 -17.590 21.462 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -10.054 -15.463 14.838 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -9.734 -15.467 15.765 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -9.263 -15.320 14.315 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -11.706 -19.255 17.080 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -10.940 -18.839 17.510 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -12.000 -18.588 16.422 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -6.920 -14.204 21.250 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -6.547 -14.460 22.116 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -7.710 -13.673 21.481 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -9.981 -20.303 19.974 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -9.405 -20.870 19.425 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -9.963 -19.433 19.519 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -9.285 -13.235 22.289 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -9.602 -14.159 22.270 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -9.419 -12.958 23.201 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -9.817 -15.943 22.310 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.605 -16.797 22.748 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -9.918 -16.176 21.379 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -8.783 -18.148 23.581 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -7.903 -17.969 23.196 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -8.612 -18.210 24.548 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -10.647 -19.909 22.663 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -9.907 -19.336 22.965 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.452 -20.071 21.712 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -12.216 -19.223 24.890 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -11.657 -19.512 24.135 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -13.112 -19.222 24.532 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -3.614 -14.319 23.906 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -3.258 -14.046 23.035 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -4.579 -14.418 23.753 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -0.555 -15.730 14.671 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -1.107 -15.239 14.023 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -1.200 -16.309 15.140 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.231 -15.129 21.902 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 0.497 -14.763 22.775 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -0.664 -14.752 21.750 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -9.537 -18.019 18.520 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -9.590 -17.186 18.010 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -8.660 -17.973 18.956 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -5.543 -19.789 18.778 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -5.702 -20.607 18.269 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -4.602 -19.824 19.000 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 0.106 -18.322 10.390 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -0.050 -18.792 9.573 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 0.714 -18.903 10.888 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -6.946 -15.041 18.685 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -6.956 -14.625 19.582 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -5.996 -15.232 18.523 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -13.200 -24.468 24.416 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -13.602 -24.810 23.601 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -12.582 -23.774 24.102 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -2.374 -18.858 30.528 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -2.748 -19.762 30.505 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.607 -18.525 31.421 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 2.611 -16.213 32.830 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 3.057 -15.334 32.790 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 2.838 -16.550 33.725 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -2.931 -17.341 32.741 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -2.740 -16.540 32.207 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -2.527 -17.150 33.603 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.663 -21.569 34.292 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -4.527 -22.223 33.577 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -4.738 -20.705 33.812 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -10.731 -17.179 26.048 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.053 -17.254 26.950 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -11.207 -17.888 25.566 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -8.859 -15.313 24.881 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -9.210 -15.436 23.983 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -9.441 -15.866 25.440 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.263 -15.133 23.755 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.052 -15.046 24.330 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.274 -16.069 23.476 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -2.807 -14.858 26.445 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -3.172 -14.365 25.676 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -2.755 -15.781 26.126 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -7.647 -18.394 26.113 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -7.991 -18.031 26.938 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -6.705 -18.084 26.088 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -0.894 -12.863 26.277 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -0.234 -13.000 26.965 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.548 -13.572 26.426 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.942 -16.934 24.593 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.133 -16.060 24.196 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -2.219 -17.297 24.033 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -5.079 -17.660 26.160 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.644 -17.635 27.039 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -4.346 -17.507 25.527 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.436 -15.609 34.467 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.455 -15.308 33.540 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -1.689 -14.831 34.974 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.872 -17.512 28.626 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -3.274 -18.033 29.205 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -3.685 -16.585 28.865 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 0.376 -17.576 35.432 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -0.310 -16.895 35.280 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 0.394 -17.696 36.403 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -1.796 -23.630 32.852 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -2.594 -23.311 32.370 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.521 -24.431 32.353 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -4.765 -19.375 32.765 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -4.207 -18.575 32.822 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -5.177 -19.315 31.872 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -5.574 -19.165 30.173 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -5.196 -18.581 29.492 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -6.134 -19.790 29.671 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 15.128 -41.822 16.336 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 16.046 -42.076 16.120 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 14.756 -41.525 15.478 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 3.608 -41.255 19.559 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 4.301 -40.838 20.116 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 3.878 -41.035 18.642 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 9.912 -42.390 17.196 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 9.708 -42.834 16.365 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 9.775 -41.432 16.997 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 6.530 -43.061 19.051 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 5.649 -43.512 19.046 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 6.351 -42.193 18.660 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 4.001 -43.971 19.216 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 3.629 -43.073 19.322 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 3.413 -44.537 19.755 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 14.889 -45.824 21.214 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 15.565 -45.390 20.677 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 15.311 -45.924 22.098 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 17.634 -41.591 18.504 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 17.177 -41.898 19.320 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 18.550 -41.442 18.786 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 17.098 -46.593 15.625 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 16.405 -46.428 14.978 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 16.953 -47.502 15.906 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 9.661 -45.830 21.230 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 10.603 -45.601 21.390 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 9.390 -45.223 20.509 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 4.727 -40.865 17.083 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 4.128 -40.345 16.491 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 5.064 -41.564 16.514 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 6.953 -42.856 21.743 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 6.890 -43.035 20.780 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 6.225 -43.385 22.129 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 9.646 -39.744 16.661 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 9.604 -38.913 16.141 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 9.137 -39.546 17.473 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 2.617 -45.433 21.145 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 2.513 -46.128 20.454 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 1.780 -45.477 21.649 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 1.027 -42.209 19.183 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 0.730 -41.656 18.426 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 1.891 -41.825 19.434 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 9.131 -42.309 23.280 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 9.410 -41.403 23.025 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 8.415 -42.529 22.638 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 9.741 -37.551 14.946 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 9.002 -37.061 14.557 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 10.516 -37.274 14.416 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 11.598 -39.887 13.515 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 10.895 -39.992 14.173 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 11.640 -38.917 13.363 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 13.262 -47.947 21.964 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 13.836 -47.223 21.632 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 12.549 -48.000 21.316 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 5.386 -46.912 23.438 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 5.401 -47.176 22.483 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 4.441 -47.014 23.699 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 7.812 -46.852 19.373 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 8.076 -46.023 18.942 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 8.447 -46.949 20.102 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 12.252 -45.090 21.551 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 13.153 -45.277 21.224 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 12.400 -44.658 22.422 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 2.763 -46.493 24.281 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 2.852 -45.539 24.358 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 1.885 -46.682 24.671 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 18.733 -44.690 16.648 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 18.179 -45.382 16.218 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 18.868 -45.027 17.558 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 8.945 -44.271 19.037 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 8.050 -43.864 19.067 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 9.430 -43.724 18.390 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 12.453 -41.191 11.227 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 12.069 -40.737 12.009 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 11.845 -41.916 11.052 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 17.837 -42.206 15.858 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 17.786 -41.836 16.771 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 18.086 -43.143 15.998 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 3.249 -39.771 15.074 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 3.649 -39.501 14.220 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 2.354 -39.392 15.044 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 0.877 -38.084 14.702 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 1.291 -37.199 14.616 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 0.446 -38.065 15.577 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 11.705 -41.678 19.169 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 11.054 -41.955 18.488 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 11.462 -42.193 19.950 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -0.078 -40.842 17.128 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -0.002 -39.878 17.016 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -0.983 -41.048 16.820 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.048 -38.586 12.703 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 4.627 -37.898 12.339 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 3.173 -38.374 12.336 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 2.175 -47.134 19.063 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 1.241 -47.438 18.981 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 2.564 -47.344 18.212 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 0.393 -46.288 25.725 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 0.142 -45.865 26.571 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.322 -46.028 25.109 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 10.712 -42.300 26.231 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 10.725 -43.134 25.722 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 9.766 -42.076 26.290 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 7.806 -42.224 25.676 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 8.235 -42.224 24.795 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 6.847 -42.197 25.475 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 11.890 -47.199 24.302 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 12.410 -47.583 23.566 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 11.287 -46.576 23.867 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 10.355 -44.459 24.585 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 11.299 -44.335 24.321 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 9.858 -43.881 23.968 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 2.032 -35.567 14.191 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 2.859 -35.091 14.453 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 1.495 -34.875 13.741 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 19.501 -45.570 19.206 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 20.380 -45.622 18.761 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 19.525 -44.711 19.671 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 16.871 -43.677 23.039 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 16.158 -43.216 23.548 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 16.719 -44.626 23.235 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 15.421 -49.489 22.790 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 15.259 -49.542 23.751 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 14.593 -49.114 22.430 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 14.256 -37.853 12.032 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 13.762 -37.644 11.215 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 14.672 -38.717 11.841 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 4.728 -44.306 22.767 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 4.000 -44.533 22.146 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 5.086 -45.177 23.040 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -0.283 -38.246 12.149 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 0.007 -38.399 13.068 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.474 -37.784 11.737 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 15.018 -40.362 11.224 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 15.653 -41.051 10.988 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 14.134 -40.796 11.113 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 10.377 -46.956 34.498 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 10.913 -47.213 35.276 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 10.895 -47.277 33.737 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 6.615 -44.823 37.517 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 5.898 -44.272 37.126 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 7.315 -44.827 36.834 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 1.978 -45.139 31.630 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 2.454 -45.153 32.486 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 2.114 -46.048 31.269 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 8.387 -45.289 35.363 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 9.077 -45.971 35.184 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 8.624 -44.556 34.760 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 10.337 -51.378 35.228 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 10.980 -51.069 34.543 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 10.161 -52.293 34.988 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 13.350 -49.478 30.176 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 13.875 -49.729 30.951 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 13.897 -49.771 29.407 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 5.476 -48.073 33.221 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 5.576 -47.612 34.087 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 4.673 -47.682 32.838 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 7.849 -47.635 31.889 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 7.097 -47.718 32.505 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 8.426 -48.392 32.118 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 4.430 -43.571 36.444 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 4.343 -42.751 35.905 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 3.611 -44.065 36.248 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 3.240 -41.463 35.220 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 3.632 -40.561 35.199 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 2.529 -41.397 35.883 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 8.321 -46.980 23.463 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 8.704 -46.554 22.669 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 7.362 -46.947 23.313 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 13.719 -46.064 34.520 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 13.235 -46.363 33.726 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 13.367 -46.617 35.233 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 13.754 -51.086 38.400 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 12.900 -50.717 38.085 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 13.532 -51.973 38.695 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 3.980 -45.611 33.435 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 4.625 -45.696 34.165 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 4.507 -45.269 32.690 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 5.886 -46.428 35.304 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 6.794 -46.061 35.201 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.676 -46.271 36.239 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 6.521 -44.038 40.145 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.728 -43.508 39.903 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 6.741 -44.516 39.320 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 4.471 -47.084 41.328 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 3.663 -47.086 40.768 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.915 -47.902 41.100 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 4.432 -42.660 39.103 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 3.498 -42.508 39.341 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 4.401 -42.919 38.161 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 6.332 -48.762 27.738 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 6.178 -49.480 27.114 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 6.246 -47.944 27.188 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 1.772 -44.286 36.050 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 1.353 -44.746 36.805 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 1.629 -43.335 36.242 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 15.999 -49.551 38.384 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 15.181 -50.104 38.416 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 16.354 -49.608 39.277 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 1.348 -41.831 37.238 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 1.556 -42.115 38.153 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 0.476 -41.381 37.323 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 13.384 -45.576 25.948 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 13.330 -44.855 25.272 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 12.868 -46.310 25.548 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 5.235 -48.683 30.258 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 5.607 -48.714 29.349 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 5.992 -48.451 30.814 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 9.038 -48.359 28.240 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 9.200 -48.251 27.269 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 8.088 -48.574 28.297 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 11.986 -50.684 33.226 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 11.512 -50.278 32.489 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 12.895 -50.332 33.151 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 11.279 -50.267 37.543 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 10.918 -50.710 36.737 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 10.495 -49.979 38.025 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 1.002 -39.582 42.658 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 0.536 -40.391 42.940 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 0.885 -39.566 41.681 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 8.656 -50.055 33.002 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 8.911 -50.371 33.879 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 7.778 -50.466 32.843 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 4.482 -45.464 28.066 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 3.670 -46.013 27.999 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 5.114 -45.895 27.450 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 9.607 -48.013 25.654 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 10.512 -47.913 25.303 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 9.035 -47.661 24.937 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 11.073 -46.873 39.348 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 11.104 -46.810 38.381 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 10.284 -46.379 39.595 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 15.777 -49.015 25.477 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 15.701 -48.165 25.964 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 16.643 -48.957 25.035 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 2.144 -46.920 39.932 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 1.965 -46.152 40.508 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 1.634 -46.734 39.119 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 19.071 -48.811 26.593 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 18.901 -48.729 25.642 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 19.802 -48.172 26.763 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 2.067 -46.805 28.019 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.366 -46.153 28.247 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 1.809 -47.126 27.140 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 7.424 -45.180 30.702 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 7.546 -46.028 31.177 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 6.466 -44.994 30.785 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 12.218 -43.644 34.339 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 12.566 -42.840 34.757 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 12.823 -44.349 34.636 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 5.169 -42.374 24.689 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 5.076 -43.102 24.033 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 4.616 -41.668 24.336 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 4.680 -44.871 30.749 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 3.726 -44.772 30.911 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 4.738 -45.070 29.786 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 2.754 -47.523 30.601 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.465 -47.427 29.671 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 3.605 -48.006 30.537 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.022 -50.668 32.609 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.489 -50.745 31.811 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.788 -49.786 32.970 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 12.363 -47.554 32.567 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.184 -47.624 31.619 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 13.084 -48.203 32.722 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 3.474 -43.232 26.765 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 3.873 -43.946 27.306 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 4.206 -42.924 26.199 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 1.790 -44.738 41.558 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 1.185 -44.848 42.313 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 2.687 -44.708 41.969 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 6.101 -46.627 26.131 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 5.933 -46.735 25.172 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 6.890 -46.027 26.171 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 6.677 -43.177 42.674 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 6.690 -43.492 41.738 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 7.413 -43.672 43.105 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 8.130 -44.894 26.153 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 8.000 -43.926 26.133 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 8.966 -45.033 25.665 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 5.513 -47.274 20.771 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 4.771 -47.188 20.163 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 6.307 -47.190 20.196 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.712 -46.653 40.249 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 14.038 -46.702 39.328 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 12.748 -46.802 40.164 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 11.993 -47.728 36.602 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 12.818 -47.413 37.038 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 11.910 -48.659 36.891 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 0.782 -42.810 26.750 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 0.645 -42.102 26.115 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 1.760 -42.949 26.751 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 14.176 -43.221 39.927 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 14.640 -43.940 40.387 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 13.939 -42.595 40.639 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 9.771 -44.122 33.218 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 9.848 -45.023 32.887 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 10.650 -43.937 33.622 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 14.097 -45.225 28.967 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 13.429 -45.923 28.924 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 14.552 -45.383 29.821 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 17.769 -48.334 23.597 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 18.311 -47.932 22.879 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 17.114 -48.890 23.117 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 11.771 -48.220 28.360 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 10.876 -48.614 28.340 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 12.272 -48.789 28.983 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 1.657 -46.933 35.380 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 1.895 -45.985 35.356 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 2.117 -47.311 34.624 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 17.156 -45.766 39.298 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 18.097 -45.932 39.542 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 16.753 -45.428 40.117 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 16.846 -47.264 37.091 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 16.714 -48.130 37.539 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 16.991 -46.630 37.837 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 14.863 -50.011 27.957 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 15.755 -49.676 28.174 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 14.827 -49.968 26.984 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 14.405 -49.370 32.921 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 15.224 -49.218 32.394 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 14.721 -49.378 33.858 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 15.401 -49.143 35.477 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 15.477 -49.648 36.302 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 15.918 -48.337 35.646 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 4.233 -38.947 35.510 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 3.597 -38.367 35.022 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 4.932 -38.335 35.796 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 9.752 -40.056 46.382 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 10.038 -39.341 46.999 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 9.326 -39.577 45.649 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 9.107 -38.666 43.991 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 10.063 -38.479 43.836 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 8.949 -39.513 43.519 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 4.955 -39.401 44.934 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 5.009 -39.966 45.708 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 4.309 -38.710 45.184 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 11.209 -35.707 45.864 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 11.898 -36.074 45.291 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 11.378 -34.742 45.850 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.213 -46.553 37.513 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 14.188 -45.631 37.173 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 15.110 -46.867 37.280 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 12.488 -40.699 46.050 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 12.301 -41.246 45.270 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 11.606 -40.445 46.377 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 15.599 -37.475 43.891 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 15.262 -37.807 43.030 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 14.895 -37.712 44.532 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 5.785 -36.392 44.821 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 5.224 -36.645 45.567 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 6.694 -36.339 45.204 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 11.376 -41.211 43.458 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 10.426 -41.321 43.252 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 11.485 -40.243 43.584 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 8.682 -41.093 42.721 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 8.007 -41.787 42.869 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 8.811 -41.089 41.740 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 3.206 -38.019 42.947 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 2.438 -38.625 42.879 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 2.819 -37.172 43.196 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 9.343 -42.745 46.171 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 9.422 -41.766 46.201 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.479 -43.019 47.081 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 5.087 -35.470 42.354 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 5.406 -34.556 42.188 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 5.310 -35.634 43.296 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 3.212 -42.775 44.317 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 3.532 -43.524 43.770 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.878 -42.090 44.189 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.284 -44.687 42.671 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.509 -45.555 42.256 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.140 -44.213 42.706 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 8.892 -44.114 43.847 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 9.764 -44.480 43.684 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 8.993 -43.624 44.696 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 15.575 -45.179 41.596 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 14.894 -45.768 41.184 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 15.845 -45.654 42.394 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.948 -43.394 45.658 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 0.933 -44.378 45.636 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 1.836 -43.161 45.293 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 13.753 -41.501 42.167 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.874 -40.529 42.096 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.907 -41.597 42.660 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 16.969 -43.231 48.630 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 17.098 -42.555 47.949 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 17.533 -42.936 49.368 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 0.778 -38.401 45.127 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 0.817 -38.752 44.213 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 -0.169 -38.178 45.258 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 13.719 -38.262 45.774 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 13.467 -39.204 45.912 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 13.872 -37.924 46.678 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 16.953 -35.046 44.675 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 17.604 -35.602 45.145 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 16.322 -35.691 44.301 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 13.615 -20.966 -1.422 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 12.943 -20.975 -2.139 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 13.537 -21.839 -1.014 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.241 -24.945 -0.967 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 6.159 -25.208 -0.722 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 4.705 -25.702 -0.711 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 11.056 -24.287 -5.975 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 10.704 -23.816 -5.188 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 11.488 -25.064 -5.611 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 9.309 -23.911 -1.428 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 9.793 -23.269 -0.866 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 9.565 -23.668 -2.338 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 7.747 -25.668 -0.093 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 8.010 -26.508 -0.531 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 8.353 -24.995 -0.488 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 7.026 -24.071 2.092 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 6.580 -23.415 1.519 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 7.420 -24.706 1.462 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 10.542 -22.077 0.167 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 11.492 -22.155 0.373 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 10.106 -22.174 1.033 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 10.958 -20.020 -8.008 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 11.612 -19.761 -8.668 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 10.975 -21.011 -8.027 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.803 -19.948 0.021 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 15.186 -19.977 0.790 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 15.315 -20.405 -0.690 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 8.535 -27.705 -1.728 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 9.136 -27.328 -2.381 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.313 -28.572 -2.081 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 9.879 -25.327 2.899 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 9.060 -25.825 3.034 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.587 -25.981 3.063 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 6.433 -23.923 4.709 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 6.643 -23.995 3.742 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 5.916 -24.738 4.901 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 8.474 -20.815 -4.787 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 8.681 -19.917 -4.492 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 8.450 -20.746 -5.766 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 5.763 -22.520 0.193 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 5.521 -23.349 -0.269 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 4.954 -21.977 0.147 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 18.227 -20.990 3.978 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 18.109 -21.168 4.932 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 18.873 -21.672 3.686 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 8.195 -21.773 4.422 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 7.730 -20.926 4.464 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 7.496 -22.439 4.580 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 8.279 -20.385 -7.488 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 8.087 -21.002 -8.206 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.207 -20.104 -7.655 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 2.605 -21.277 -4.268 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 1.740 -21.602 -4.615 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 2.903 -21.987 -3.665 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 11.774 -18.793 -5.652 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 11.000 -18.250 -5.378 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 11.495 -19.196 -6.501 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 7.749 -27.276 3.805 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 7.525 -27.670 2.952 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 8.381 -27.924 4.212 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 10.327 -22.649 2.928 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 9.551 -22.300 3.427 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.175 -23.627 2.905 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 17.799 -19.208 1.786 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 17.926 -19.873 2.494 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.224 -19.658 1.132 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 5.996 -21.944 -4.280 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 6.940 -21.742 -4.451 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 5.547 -21.709 -5.116 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 10.190 -22.767 -3.850 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 10.880 -22.108 -3.626 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 9.439 -22.223 -4.168 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 10.804 -22.706 -8.172 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 10.839 -23.356 -8.880 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 10.915 -23.240 -7.349 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 8.335 -25.532 5.889 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 7.783 -24.757 5.656 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 8.169 -26.166 5.159 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 0.334 -22.288 -5.341 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 -0.361 -21.871 -5.864 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 0.005 -23.178 -5.175 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 10.706 -18.275 -2.137 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 11.643 -18.027 -2.023 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 10.424 -17.787 -2.936 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 3.967 -22.608 4.504 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 4.876 -22.876 4.719 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.048 -21.655 4.276 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 2.002 -27.396 3.072 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 2.394 -26.521 3.306 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 1.480 -27.218 2.287 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 5.342 -26.405 5.156 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.078 -26.890 4.737 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 5.066 -26.980 5.891 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.075 -25.530 5.903 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.294 -26.103 5.141 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.098 -25.463 5.877 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 9.429 -28.884 5.148 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 8.924 -29.351 5.853 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 10.350 -29.152 5.303 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 11.756 -27.201 3.805 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 11.694 -27.994 4.365 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 12.591 -27.311 3.333 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 18.548 -16.196 -1.671 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 18.819 -16.387 -0.741 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 18.554 -17.061 -2.100 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 14.346 -22.971 3.853 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 15.149 -22.651 4.278 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 14.030 -23.684 4.448 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 12.803 -22.418 1.648 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 11.969 -22.601 2.131 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 13.504 -22.695 2.279 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.719 -20.519 -3.405 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 11.226 -19.867 -2.866 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 11.918 -20.038 -4.237 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 7.333 -18.092 -3.774 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 6.960 -18.786 -3.181 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 6.847 -18.214 -4.618 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 3.589 -20.908 -0.693 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 3.635 -21.703 -1.266 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 3.412 -20.176 -1.320 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 3.401 -19.102 -2.760 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 3.524 -18.265 -3.266 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 2.935 -19.695 -3.390 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 4.118 -22.931 -2.520 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 4.425 -23.748 -2.072 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.836 -22.727 -3.162 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 10.715 -28.250 12.938 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 9.929 -28.223 12.336 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 10.335 -28.196 13.823 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 1.499 -30.137 8.534 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 0.985 -29.864 7.746 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 1.125 -31.016 8.769 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 12.077 -30.184 11.593 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 11.613 -29.460 12.071 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 13.007 -29.952 11.660 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 8.461 -28.430 11.449 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 7.979 -28.233 10.631 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 8.143 -29.323 11.705 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 8.729 -26.607 8.363 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.574 -26.193 7.484 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 8.319 -25.977 9.003 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 15.423 -26.186 10.233 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 15.098 -26.646 9.450 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 16.330 -25.917 9.995 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 14.190 -27.506 5.889 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 13.470 -28.112 6.121 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 14.698 -27.989 5.202 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 12.300 -37.882 9.994 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 11.658 -37.172 10.210 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 11.753 -38.668 9.879 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 17.732 -21.377 6.726 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 17.104 -22.135 6.818 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 18.376 -21.511 7.446 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 3.556 -22.842 13.608 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 2.737 -22.974 14.122 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 3.991 -22.089 14.049 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 15.340 -29.225 4.099 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 16.065 -29.541 3.553 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 15.079 -30.007 4.632 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 5.358 -29.578 13.069 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 6.245 -29.949 12.879 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.050 -30.088 13.846 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 11.461 -27.071 8.614 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 10.484 -27.044 8.536 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 11.688 -27.985 8.429 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 4.476 -32.389 12.289 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 4.444 -31.777 13.052 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 4.840 -33.230 12.672 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 1.936 -31.481 11.913 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 2.851 -31.836 11.898 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 1.382 -32.268 12.073 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 -0.636 -31.685 13.982 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 -0.226 -31.238 14.728 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 -1.609 -31.590 14.147 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 7.569 -30.876 12.228 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 8.064 -31.479 12.828 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 7.250 -31.461 11.511 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 4.430 -28.251 7.511 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.680 -28.145 6.880 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 4.021 -28.638 8.298 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 7.495 -25.016 10.198 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 7.200 -24.081 10.105 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 7.012 -25.340 10.967 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 12.121 -29.585 5.793 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 11.728 -30.083 6.544 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 12.938 -30.087 5.582 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 16.461 -31.403 7.653 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 17.294 -30.872 7.620 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 16.759 -32.319 7.560 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 -5.735 -30.982 6.279 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 -5.980 -31.753 5.769 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 -5.295 -31.347 7.073 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 13.722 -24.865 5.847 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 14.037 -25.799 5.910 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 12.746 -24.943 5.909 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 6.758 -22.422 10.022 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 5.865 -22.552 9.617 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 6.636 -21.682 10.623 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 8.482 -34.030 10.354 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 9.184 -33.341 10.383 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 7.654 -33.520 10.215 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 8.535 -30.177 7.369 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.995 -29.920 8.135 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 9.321 -30.595 7.757 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.281 -32.085 10.984 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 9.835 -32.168 11.846 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.991 -31.422 11.148 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 6.287 -32.349 10.267 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 5.887 -31.923 9.497 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 5.559 -32.373 10.934 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 4.188 -22.763 9.234 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.698 -22.959 8.428 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.510 -22.807 9.944 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 2.351 -27.897 5.763 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 2.335 -27.851 4.781 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 1.575 -28.453 5.988 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 2.278 -22.920 11.235 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 1.454 -23.351 11.554 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.879 -22.950 12.016 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 3.100 -25.140 4.007 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 3.877 -25.565 4.423 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 3.268 -24.176 4.118 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 4.555 -28.917 10.545 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 4.825 -29.150 11.466 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 5.402 -28.766 10.081 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 6.859 -28.501 8.973 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 6.133 -28.373 8.322 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 7.562 -27.882 8.671 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 14.425 -31.151 5.842 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 15.170 -31.113 6.486 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 13.943 -31.968 6.089 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.021 -29.189 6.418 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 -0.592 -29.571 5.778 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 -0.490 -28.455 6.833 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 1.104 -22.590 14.887 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 0.708 -21.705 14.725 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 1.507 -22.512 15.777 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 -0.013 -21.531 18.729 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 0.114 -22.482 18.583 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 -0.696 -21.483 19.437 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 18.167 -25.497 10.230 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 18.249 -24.526 10.259 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 18.283 -25.771 11.169 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 18.387 -26.209 12.839 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 19.103 -25.840 13.412 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 18.454 -27.176 12.975 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 15.637 -25.562 12.891 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 16.585 -25.777 12.971 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 15.411 -25.822 11.971 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 11.326 -31.300 7.864 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 11.920 -32.028 7.580 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 11.321 -31.362 8.830 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 15.413 -34.260 8.331 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 15.614 -34.002 9.252 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 15.904 -35.102 8.211 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 0.534 -33.807 12.805 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 -0.191 -34.298 12.391 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 0.082 -33.097 13.314 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 11.851 -37.159 13.162 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 12.807 -37.261 12.958 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.496 -36.659 12.400 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 2.064 -36.820 11.746 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 2.937 -36.523 11.424 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 1.973 -36.391 12.619 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 8.259 -35.374 12.699 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 8.241 -34.956 11.809 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 7.355 -35.214 13.053 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 10.357 -36.135 11.053 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 9.681 -36.169 11.761 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.019 -35.459 10.442 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 0.117 -23.787 12.649 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -0.843 -23.719 12.652 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 0.388 -23.425 13.523 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 4.718 -36.073 11.387 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 5.114 -35.648 10.618 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 5.009 -35.513 12.148 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 0.686 -25.633 6.184 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 1.374 -26.320 6.119 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 0.938 -24.985 5.515 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 13.793 -26.343 38.793 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 13.374 -25.626 39.315 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 13.068 -26.964 38.627 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 6.503 -29.001 36.158 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 7.013 -28.612 36.878 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 5.574 -28.822 36.398 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 6.012 -25.758 38.736 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 5.047 -25.865 38.832 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.339 -25.688 39.661 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 17.290 -27.068 43.229 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 16.941 -26.870 42.333 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 17.310 -28.047 43.270 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 2.180 -24.716 35.440 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 1.322 -25.049 35.772 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 2.231 -23.798 35.783 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 12.448 -18.662 37.185 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 12.808 -19.392 36.636 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 13.198 -18.028 37.257 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 4.006 -28.349 37.342 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 3.800 -27.582 37.917 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 3.141 -28.615 36.990 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 16.317 -26.589 40.643 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 15.504 -26.681 40.118 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 17.024 -26.862 40.039 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 17.890 -20.052 36.453 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 17.056 -19.744 36.011 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 18.556 -19.411 36.172 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 3.696 -23.915 33.359 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 3.564 -24.631 32.714 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 3.222 -24.229 34.165 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 4.291 -18.838 37.269 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 4.733 -19.390 36.587 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 4.931 -18.796 37.988 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 12.764 -22.897 38.652 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 12.553 -23.495 39.399 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 12.419 -22.028 38.935 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 0.620 -26.599 40.231 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 0.161 -27.249 40.788 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 -0.099 -26.082 39.818 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.749 -31.294 41.005 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 2.441 -31.765 40.514 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 1.235 -30.830 40.307 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 3.673 -33.411 39.967 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.225 -34.066 40.518 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 3.012 -33.192 39.266 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.463 -27.997 43.199 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 9.916 -27.427 42.632 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 10.390 -27.582 44.084 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 15.133 -20.622 38.704 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 15.208 -21.209 37.929 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 16.018 -20.211 38.784 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 0.891 -21.309 38.457 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 0.056 -21.664 38.072 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 0.943 -21.721 39.325 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 9.351 -20.894 38.435 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 10.199 -20.669 38.886 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 8.813 -20.076 38.518 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.827 -20.281 39.335 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.081 -19.626 38.649 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 12.448 -20.103 40.076 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 2.283 -22.035 36.058 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 1.639 -21.458 35.587 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 2.131 -21.836 36.996 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 13.491 -20.711 35.632 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 14.256 -20.158 35.338 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 13.913 -21.521 35.998 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 13.942 -19.748 40.958 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 14.386 -20.111 40.155 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 14.346 -18.858 41.070 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.227 -28.763 47.691 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 14.188 -28.658 47.713 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 13.073 -29.378 46.930 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 11.631 -26.638 46.975 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 12.242 -26.129 46.399 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 12.165 -27.413 47.267 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 6.954 -30.425 43.568 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 6.184 -30.812 44.036 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 7.721 -30.813 44.010 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 15.297 -33.839 48.118 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 14.964 -32.978 48.426 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 15.531 -33.684 47.191 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 9.499 -26.379 45.164 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 8.605 -26.414 45.548 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.097 -26.418 45.940 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 13.988 -35.504 49.835 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 13.305 -34.850 50.118 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 14.533 -35.006 49.186 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 7.567 -24.603 47.378 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 8.357 -24.981 47.828 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 7.518 -23.702 47.708 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 9.800 -25.525 48.618 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 10.481 -25.919 48.025 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 10.148 -25.666 49.501 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 10.496 -30.464 44.741 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 11.412 -30.364 45.100 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 10.391 -29.699 44.149 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.604 -26.442 45.646 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 5.666 -26.249 45.452 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 6.872 -25.728 46.274 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 19.581 -28.507 44.921 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 19.489 -27.660 44.460 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 18.774 -29.007 44.657 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 13.326 -25.097 45.394 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 13.824 -24.331 45.693 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 14.016 -25.794 45.258 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 5.164 -28.764 46.269 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 5.968 -28.224 46.344 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 4.468 -28.120 46.034 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 11.809 -32.937 45.368 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 11.075 -32.327 45.165 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 12.534 -32.344 45.649 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 12.500 -33.317 50.349 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 11.628 -32.935 50.461 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 13.043 -32.577 49.994 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 0.058 -30.982 44.785 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.987 -30.774 44.569 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 -0.384 -31.022 43.915 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 8.420 -36.502 45.514 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 9.283 -36.121 45.758 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 8.649 -37.289 44.981 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 3.680 -26.623 45.241 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 3.227 -26.994 44.449 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 3.044 -25.997 45.601 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.981 -36.312 41.928 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 8.791 -36.030 42.370 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 7.808 -35.606 41.270 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 4.782 -31.160 45.094 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 4.678 -31.814 45.792 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 4.898 -30.304 45.577 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 -1.986 -35.538 46.742 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 -2.503 -35.085 47.412 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 -1.579 -34.805 46.218 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.514 -27.745 43.154 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.726 -28.701 43.264 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.654 -27.365 44.043 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 10.676 -27.125 38.838 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 11.026 -27.399 39.707 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 9.816 -27.586 38.765 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 15.341 -26.854 45.176 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 16.061 -26.778 44.518 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 15.237 -27.827 45.306 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 7.974 -27.573 38.318 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 7.386 -26.780 38.352 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 7.463 -28.260 38.803 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 7.186 -25.851 41.227 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 6.882 -26.536 41.854 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 8.007 -25.507 41.633 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 11.694 -33.830 42.698 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 11.777 -33.555 43.631 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 12.201 -34.673 42.651 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 9.561 -25.346 42.609 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 9.419 -25.555 43.556 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 10.365 -24.788 42.611 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 5.730 -32.836 41.798 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 6.100 -31.944 41.811 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 5.102 -32.827 41.050 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.269 -35.991 42.473 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.513 -36.903 42.208 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.084 -35.471 42.321 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 13.823 -31.213 49.201 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 14.689 -30.969 48.800 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 13.243 -30.471 48.966 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 3.308 -26.504 39.340 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 3.691 -26.956 40.122 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 2.346 -26.465 39.537 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 2.522 -30.427 43.638 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 2.398 -30.838 42.756 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 3.355 -30.821 43.975 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 12.285 -24.839 40.565 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 12.249 -24.418 41.452 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.195 -25.798 40.757 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 13.813 -22.240 42.217 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 14.610 -22.588 41.772 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 13.764 -21.307 41.921 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 4.348 -27.837 41.475 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 5.116 -27.764 42.083 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 3.570 -27.788 42.066 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 12.232 -27.530 41.117 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 12.846 -28.262 40.908 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.802 -27.808 41.955 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 5.851 -28.968 39.355 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 5.192 -28.929 38.633 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 5.360 -28.655 40.140 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 15.902 -30.484 47.674 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 15.543 -30.167 46.807 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 16.772 -30.872 47.442 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.883 -36.632 52.149 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.096 -36.736 52.689 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.551 -36.236 51.312 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 16.404 -36.510 47.796 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 16.859 -36.874 48.581 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 16.150 -35.610 48.061 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 -1.079 -33.433 45.285 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 -1.313 -33.596 44.348 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 -0.648 -32.552 45.276 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 13.462 -37.905 48.583 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.691 -37.042 48.993 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 13.959 -38.551 49.098 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 3.180 -37.343 46.005 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 2.875 -36.547 46.450 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 2.349 -37.790 45.721 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 -1.911 -37.906 45.427 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 -2.640 -38.380 45.840 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 -1.888 -37.037 45.902 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 10.915 -37.941 47.574 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 11.799 -37.994 47.993 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 10.935 -37.096 47.086 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 11.856 -38.539 43.753 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.470 -38.471 42.983 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.422 -38.325 44.524 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 12.002 -24.069 43.158 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 12.374 -24.488 43.963 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 12.599 -23.304 42.988 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 13.845 -10.078 -6.574 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 13.989 -10.276 -5.630 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 13.536 -9.146 -6.577 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 2.180 -12.122 -5.721 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 1.278 -11.790 -5.720 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 2.188 -12.794 -5.028 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 13.160 -7.326 -6.253 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 12.449 -7.306 -5.599 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 12.984 -6.537 -6.820 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 14.147 -1.173 -4.860 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 13.176 -1.274 -4.810 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.285 -0.224 -4.874 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 12.033 -8.963 -3.415 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 12.942 -9.328 -3.474 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 11.520 -9.503 -4.050 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 16.195 -15.059 -0.829 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 15.768 -15.909 -0.584 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 16.997 -15.330 -1.321 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 5.620 -16.259 -6.289 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 5.971 -15.759 -7.031 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 5.886 -17.185 -6.472 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.421 -14.095 -5.173 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 12.631 -13.686 -6.038 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 12.686 -15.029 -5.279 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 6.702 -10.575 -5.451 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.347 -9.681 -5.397 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 6.022 -11.069 -5.972 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 4.943 -16.855 -1.125 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 4.535 -16.183 -0.534 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 4.247 -17.516 -1.244 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 4.326 -16.840 -3.976 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 5.021 -16.627 -3.336 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 4.710 -16.577 -4.846 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 3.710 -4.866 2.759 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 4.329 -4.206 2.380 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 2.843 -4.570 2.468 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 12.302 -5.071 -7.544 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 12.316 -4.105 -7.355 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 11.744 -5.147 -8.323 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 15.468 -8.027 -4.765 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 14.825 -7.592 -5.359 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 16.238 -7.429 -4.765 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 4.177 -12.872 -2.463 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 4.076 -12.018 -2.000 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 5.126 -13.077 -2.375 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 9.193 -9.492 -4.724 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 8.357 -9.846 -5.074 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 9.858 -10.157 -4.972 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 6.684 -5.648 2.073 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 6.373 -4.790 1.727 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 5.889 -6.045 2.459 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 4.458 -10.613 -0.923 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 4.035 -9.935 -0.339 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 5.188 -10.141 -1.338 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 5.368 -3.102 1.515 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 6.084 -2.608 1.989 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 5.038 -2.471 0.866 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 3.297 -8.802 0.731 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 2.860 -7.961 0.571 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 3.143 -8.972 1.687 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.835 -13.318 -1.782 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 6.990 -14.287 -1.825 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.630 -13.150 -0.831 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 12.906 -12.569 -7.454 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 13.197 -11.672 -7.177 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 13.634 -12.884 -8.041 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 3.385 -12.397 0.859 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 3.905 -11.895 0.194 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 2.466 -12.232 0.613 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 8.007 -12.787 -4.251 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 7.579 -12.043 -4.727 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 7.457 -12.906 -3.450 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 2.713 -9.023 3.402 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 3.029 -8.250 3.930 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 1.757 -9.090 3.629 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 9.503 -14.528 -0.988 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 9.903 -14.352 -1.868 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.807 -15.193 -1.172 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 6.287 -18.925 -6.259 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 6.990 -19.384 -6.767 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 5.529 -19.551 -6.284 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 15.146 -13.026 -8.922 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 15.659 -13.429 -9.628 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 15.522 -12.126 -8.833 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 4.594 -11.546 -6.843 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 4.338 -11.646 -7.764 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.768 -11.743 -6.343 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 9.976 -2.549 2.308 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 10.805 -2.835 2.746 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 10.278 -2.013 1.562 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 1.450 -15.773 -0.548 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 1.798 -15.501 -1.432 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 0.539 -16.021 -0.721 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 10.235 -12.681 -7.061 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 9.708 -12.481 -7.844 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 11.165 -12.685 -7.389 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 11.305 -11.276 -4.936 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 11.964 -11.918 -4.631 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.861 -11.731 -5.684 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 9.222 -14.902 -5.793 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.547 -14.381 -5.322 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.689 -14.241 -6.341 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 16.381 -3.690 -1.849 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 15.689 -3.657 -2.544 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 17.210 -3.822 -2.348 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 5.985 -19.996 -2.404 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.069 -19.656 -2.455 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 5.968 -20.808 -2.953 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 9.389 -5.118 1.590 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 9.424 -4.184 1.891 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 8.445 -5.361 1.674 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 0.076 -9.085 4.132 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 -0.206 -9.722 4.797 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 -0.662 -8.470 4.063 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 6.631 -12.801 0.919 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 6.749 -11.934 1.372 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 6.050 -13.301 1.517 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 6.074 -15.804 1.930 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 5.225 -15.624 1.470 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 6.077 -15.173 2.674 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 3.794 -15.088 0.638 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 2.886 -15.368 0.371 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 3.715 -14.117 0.763 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 3.355 -19.208 1.477 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 3.395 -19.872 0.758 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 2.428 -18.946 1.506 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 18.644 -4.046 0.136 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 18.149 -3.327 0.594 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 18.450 -3.900 -0.802 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 20.217 -9.657 -8.525 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 19.523 -10.145 -8.031 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 19.833 -8.779 -8.665 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 15.816 -10.390 -8.432 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 15.113 -10.284 -7.747 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 15.683 -9.639 -9.023 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 14.463 -10.254 -3.718 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 15.110 -10.643 -3.118 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 14.925 -9.457 -4.087 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 18.175 -13.290 -6.448 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 18.959 -13.811 -6.166 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 17.522 -13.957 -6.683 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 13.132 -16.737 -4.402 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 13.371 -17.277 -3.618 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 12.779 -17.394 -5.039 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 2.552 -15.009 -2.878 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 3.119 -14.212 -2.764 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 3.096 -15.613 -3.421 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 7.378 -1.845 2.778 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 8.309 -2.123 2.628 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 7.415 -1.329 3.590 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 11.218 -6.973 -1.725 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 11.670 -7.505 -2.415 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 10.518 -6.511 -2.204 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 12.617 -3.401 2.630 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 12.961 -3.333 1.710 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 12.922 -2.573 3.059 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 11.412 -1.488 -4.645 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 10.496 -1.785 -4.608 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 11.595 -1.162 -3.726 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 7.400 -16.037 -1.882 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 6.549 -16.335 -1.483 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 7.551 -16.671 -2.613 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 13.496 -18.155 -2.091 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 13.610 -19.121 -1.983 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 14.076 -17.769 -1.400 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 4.372 -20.919 -6.315 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 3.903 -21.237 -7.096 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 3.694 -20.948 -5.600 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 9.790 -17.282 -4.598 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 9.694 -16.421 -5.075 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 8.873 -17.508 -4.331 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 10.437 -13.757 -3.352 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 9.626 -13.453 -3.815 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.061 -13.970 -4.080 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 4.460 -15.276 5.665 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 4.134 -15.155 6.567 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 3.954 -16.029 5.329 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 4.629 -20.064 3.757 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 5.439 -19.537 3.903 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 4.214 -19.658 2.968 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 11.069 -9.391 8.613 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 11.371 -9.053 9.486 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 10.316 -9.976 8.837 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 12.433 -7.820 13.600 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 12.114 -6.885 13.618 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 11.653 -8.341 13.862 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 8.239 -5.067 12.023 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 7.409 -4.675 12.304 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 8.402 -5.782 12.683 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.713 -15.031 17.522 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 12.589 -15.404 17.684 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 11.753 -14.139 17.937 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.220 -16.215 13.934 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 3.382 -15.758 14.157 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 3.934 -17.097 13.616 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 3.608 -11.685 17.671 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 3.999 -11.543 18.562 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 2.904 -12.329 17.823 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 4.543 -18.892 19.080 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 4.011 -18.606 18.300 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 3.934 -18.766 19.836 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 11.834 -8.440 11.030 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 12.253 -8.301 11.905 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 11.798 -7.537 10.636 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 2.912 -17.951 17.191 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 2.221 -18.085 16.511 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 3.107 -16.996 17.147 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 8.433 -7.027 13.882 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 7.739 -7.528 14.366 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 9.064 -7.718 13.589 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 14.687 -9.065 20.602 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 13.831 -9.515 20.567 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 15.335 -9.759 20.359 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 9.903 -9.138 12.936 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 10.436 -9.137 12.117 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 9.180 -9.770 12.753 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 16.515 -11.013 19.792 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 16.338 -10.883 18.831 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 16.106 -11.888 19.993 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 11.622 -12.944 19.203 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 10.865 -12.326 19.286 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 12.195 -12.718 19.963 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 6.370 -8.381 15.051 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 5.707 -7.807 15.446 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 6.266 -9.232 15.530 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 1.312 -15.673 19.414 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 1.741 -16.531 19.575 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 1.015 -15.385 20.307 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 8.879 -5.617 9.417 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 8.600 -5.574 10.359 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 8.655 -4.729 9.065 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 18.279 -4.631 24.890 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 18.212 -5.003 25.791 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 17.602 -5.121 24.382 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 11.237 -2.943 8.037 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 11.479 -3.770 7.570 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 11.477 -3.118 8.976 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 14.960 -13.250 20.201 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 14.614 -14.122 19.924 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.239 -12.867 20.738 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 6.189 -20.076 16.868 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 6.588 -19.192 16.696 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 5.824 -19.997 17.767 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 6.875 -14.409 18.298 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 6.465 -14.564 17.422 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 6.715 -15.247 18.789 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 2.011 -14.876 14.849 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 1.048 -14.979 14.682 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 2.180 -13.912 14.722 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 9.127 -10.907 10.022 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 8.589 -10.649 10.796 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 8.891 -11.825 9.869 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.130 -15.174 17.286 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.442 -15.225 17.982 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.625 -15.032 16.454 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 7.057 -18.764 4.195 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 7.007 -17.833 4.510 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 8.010 -18.908 4.028 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 -0.008 -20.215 14.036 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 0.378 -19.440 14.511 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 -0.947 -20.005 13.970 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 9.135 -15.881 17.389 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 10.082 -15.610 17.351 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 8.676 -15.095 17.729 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 5.521 -14.794 15.862 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 5.234 -15.271 15.050 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 4.730 -14.823 16.442 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 7.554 -10.549 12.386 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 6.905 -9.839 12.488 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 7.202 -11.272 12.944 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 5.598 -13.622 3.598 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 5.097 -14.029 4.329 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 5.268 -12.696 3.570 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 4.835 -11.342 20.150 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 5.308 -11.884 20.818 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 4.165 -10.852 20.678 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 5.968 -12.218 14.218 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 6.023 -13.122 14.574 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 6.027 -11.644 15.010 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.143 -18.721 13.387 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 2.698 -19.223 12.673 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.530 -19.416 13.962 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 7.178 -17.539 16.577 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 6.661 -16.940 16.020 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.013 -17.042 16.754 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 11.530 -6.107 9.725 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.558 -5.981 9.639 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 11.832 -5.307 10.202 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 16.322 -10.000 17.265 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 16.608 -9.090 17.434 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 16.206 -10.035 16.290 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 11.985 -9.538 22.120 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 12.134 -9.107 22.977 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 11.044 -9.356 21.919 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 7.559 -10.662 23.080 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.756 -11.177 22.866 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 8.294 -11.320 22.993 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 16.439 -14.657 8.149 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 17.414 -14.658 8.229 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 16.136 -14.319 9.012 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 17.076 -6.521 23.350 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 16.271 -7.084 23.284 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 17.715 -7.079 23.844 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 16.198 -9.442 14.519 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 16.090 -10.054 13.762 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 15.807 -8.604 14.201 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 11.932 -5.464 7.135 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 11.183 -6.008 6.806 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 12.006 -5.718 8.080 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 14.339 -5.107 5.948 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 14.355 -4.175 5.655 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 13.438 -5.225 6.329 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 2.361 -18.306 20.703 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 2.156 -18.360 21.643 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 1.526 -18.583 20.260 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 7.083 -10.593 2.481 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 6.180 -10.644 2.863 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 7.375 -9.672 2.681 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 7.845 -8.036 2.991 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 8.405 -7.795 3.741 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 7.503 -7.182 2.663 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.954 -7.298 7.282 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 9.378 -6.916 7.969 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 10.362 -8.077 7.717 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 8.618 -2.923 8.909 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 8.468 -2.022 9.205 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 9.489 -2.886 8.464 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 7.021 -16.092 4.953 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 7.526 -15.292 4.764 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 6.158 -15.761 5.267 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 16.407 -13.652 10.819 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 17.171 -13.570 11.434 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 15.864 -14.376 11.217 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 11.603 -5.265 13.494 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 10.825 -4.871 13.897 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 12.197 -4.505 13.319 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 4.097 -20.679 15.199 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.570 -21.176 15.858 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 4.880 -20.369 15.707 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.737 -5.955 2.753 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.136 -5.061 2.829 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 10.841 -5.783 2.401 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 3.462 -6.763 4.682 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 3.704 -6.307 5.493 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 3.580 -6.086 3.981 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 9.580 -11.314 19.916 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 9.509 -10.441 20.348 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 8.741 -11.402 19.414 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.788 -8.024 24.805 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 12.016 -7.536 25.122 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 13.365 -8.091 25.592 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 0.786 -13.889 24.283 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 -0.009 -13.384 24.544 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 1.219 -14.099 25.138 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 4.450 -11.154 3.137 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 3.981 -11.596 2.399 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 3.876 -10.388 3.361 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 7.131 -11.741 18.685 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 6.327 -11.551 19.212 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 7.116 -12.722 18.570 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 8.889 -13.498 2.540 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 8.547 -12.756 3.060 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 8.195 -13.666 1.880 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 9.242 -9.069 21.559 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 8.603 -9.557 22.125 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 8.808 -8.227 21.386 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 5.812 -12.711 22.298 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 4.948 -12.880 22.735 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.236 -13.577 22.264 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 6.551 -16.979 19.272 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 7.016 -17.308 18.484 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 5.828 -17.622 19.404 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 5.873 -10.679 16.487 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 6.520 -10.952 17.175 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 5.002 -10.913 16.876 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 12.798 -12.113 21.580 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 12.555 -11.172 21.727 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 12.635 -12.535 22.445 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 13.252 -3.145 12.795 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 14.132 -3.585 12.888 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 13.464 -2.186 12.827 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 15.054 -8.304 23.194 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 14.847 -8.493 22.248 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 14.177 -8.195 23.616 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 17.565 -7.983 10.390 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 18.405 -8.275 10.792 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 17.366 -7.139 10.851 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 16.739 -7.331 18.081 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 16.620 -6.964 17.166 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 15.843 -7.347 18.450 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 15.726 -10.930 12.196 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 16.252 -10.937 11.380 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 15.326 -11.808 12.228 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 18.719 -9.674 22.483 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 19.173 -8.856 22.181 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 18.287 -10.011 21.684 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 13.740 -15.789 19.590 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 13.756 -16.700 19.257 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 12.862 -15.709 20.028 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 -1.063 -17.561 22.691 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 -1.522 -18.008 21.957 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 -0.544 -16.860 22.259 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 1.109 -17.959 15.086 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 0.627 -17.127 14.897 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 1.816 -17.988 14.407 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 3.134 -12.404 14.959 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 3.326 -12.023 15.833 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 3.943 -12.244 14.445 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 1.521 -20.278 11.712 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 1.781 -21.186 11.452 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 0.906 -20.410 12.464 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 11.519 -3.537 10.705 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 12.184 -3.368 11.410 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 10.688 -3.658 11.187 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 0.582 -22.124 21.754 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 0.300 -23.004 21.448 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 -0.186 -21.550 21.564 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 13.852 -8.184 27.535 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 13.337 -7.791 28.263 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 13.561 -9.121 27.514 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 12.388 -14.153 32.522 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 13.287 -13.782 32.665 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 11.887 -13.853 33.306 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 14.290 -10.065 32.102 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 14.057 -10.653 31.374 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 13.687 -10.341 32.838 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -3.285 -14.796 29.120 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -3.041 -14.777 28.163 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 -4.026 -14.183 29.186 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 -13.111 -8.129 36.505 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 -12.933 -8.853 37.106 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 -12.334 -8.082 35.948 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 10.325 -15.777 31.270 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 11.050 -15.199 31.577 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 10.729 -16.330 30.586 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 0.735 -15.013 31.188 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 1.112 -15.421 30.381 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 1.231 -15.440 31.921 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 5.024 -15.385 30.527 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 5.324 -15.406 31.466 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 5.824 -15.573 30.021 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 18.130 -12.363 36.490 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 17.184 -12.464 36.266 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 18.181 -12.620 37.435 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 12.503 -7.206 29.955 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 11.791 -7.680 29.459 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 12.026 -6.569 30.496 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 2.264 -16.719 29.674 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 2.924 -16.664 30.387 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 2.779 -16.531 28.862 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 16.166 -10.700 29.242 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 16.409 -9.783 29.021 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 16.979 -11.215 29.066 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 13.576 -8.109 36.117 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 12.813 -8.043 36.697 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 14.205 -8.689 36.613 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 10.644 -8.279 28.355 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 10.413 -7.697 27.601 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 9.991 -9.005 28.304 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.664 -12.226 22.687 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 10.482 -12.491 23.153 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 9.932 -12.157 21.754 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 15.173 -9.563 37.719 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 16.001 -9.038 37.638 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 15.412 -10.291 38.336 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 3.718 -13.707 32.939 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 4.645 -13.600 32.686 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 3.237 -13.071 32.375 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 10.623 -11.206 26.225 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 9.990 -11.055 26.953 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 11.494 -10.965 26.613 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 1.871 -12.530 31.249 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 1.222 -11.823 31.330 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 1.335 -13.354 31.266 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 17.959 -6.443 26.953 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 18.161 -7.120 26.272 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 17.327 -6.888 27.550 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 16.456 -15.204 39.108 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 16.796 -15.612 38.279 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 15.603 -14.793 38.838 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 9.974 -17.598 36.642 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 9.904 -17.913 35.718 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 10.865 -17.903 36.931 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 12.968 -12.176 37.448 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 13.233 -13.061 37.779 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 13.428 -11.558 38.034 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 11.945 -12.690 24.219 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 12.861 -12.700 24.570 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 11.415 -12.303 24.947 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 6.125 -15.392 33.033 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 5.757 -15.402 33.925 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 7.080 -15.578 33.165 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 2.106 -13.737 26.696 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 2.422 -13.875 27.621 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 2.621 -12.984 26.384 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 5.783 -20.143 35.310 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 6.426 -20.855 35.480 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 6.206 -19.604 34.628 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 8.729 -16.179 33.437 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 9.188 -15.907 32.606 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 9.173 -17.012 33.688 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 11.552 -13.108 35.130 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 11.933 -12.837 35.990 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 10.835 -13.739 35.376 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 9.739 -6.979 26.100 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 9.401 -7.799 25.674 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 9.091 -6.307 25.868 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 16.525 -10.899 33.430 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 16.935 -10.197 33.966 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 15.802 -10.444 32.954 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 16.964 -5.458 36.352 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 16.467 -5.856 35.603 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 16.397 -4.742 36.656 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 16.339 -7.945 28.783 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 15.546 -8.009 28.204 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 15.970 -7.707 29.663 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 12.782 -10.839 34.207 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 12.796 -10.334 35.029 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 12.285 -11.653 34.433 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 3.166 -10.626 22.197 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 3.255 -11.454 22.710 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 2.384 -10.204 22.563 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 3.072 -17.404 35.212 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 2.097 -17.445 35.361 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 3.455 -17.705 36.063 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 13.161 -10.838 27.157 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 13.564 -11.072 26.297 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 13.527 -11.505 27.775 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 3.234 -13.773 29.148 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 3.870 -14.390 29.569 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 2.887 -13.244 29.892 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 9.709 -15.001 35.769 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 9.210 -15.269 34.975 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 9.827 -15.833 36.267 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.171 -14.635 37.753 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 14.019 -15.536 37.401 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.633 -14.167 37.024 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 14.966 -13.184 33.106 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 15.547 -12.392 33.098 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.595 -13.940 33.143 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 3.357 -13.125 23.534 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 2.401 -13.339 23.569 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 3.769 -13.786 24.140 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 8.611 -10.067 27.812 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 8.389 -9.777 26.903 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 7.757 -10.147 28.252 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 8.847 -9.382 25.141 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 9.577 -10.032 25.234 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 8.287 -9.753 24.424 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 16.348 -10.582 24.158 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 15.863 -9.780 23.872 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.209 -10.505 23.718 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 8.142 -21.586 34.803 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 7.966 -21.145 33.951 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 9.098 -21.426 34.964 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 9.740 -18.687 34.144 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 9.018 -19.107 33.637 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 10.236 -19.443 34.523 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 8.111 -18.417 38.439 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 8.730 -18.085 37.750 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 8.094 -17.717 39.097 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 14.513 -12.297 25.273 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 14.991 -12.670 26.027 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 15.192 -11.756 24.801 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 15.350 -6.764 34.515 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 14.648 -7.211 35.049 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 14.991 -6.750 33.614 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 15.711 -12.947 41.691 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 15.281 -12.887 42.546 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.331 -13.700 41.786 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 17.251 -15.273 41.678 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 16.968 -15.237 40.739 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 17.868 -16.028 41.709 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 16.807 -15.183 33.221 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 16.785 -15.303 32.250 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 16.911 -16.095 33.577 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 15.260 -12.865 35.908 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 14.581 -12.230 36.195 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.125 -12.940 34.944 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 15.234 -17.293 40.901 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 15.718 -16.837 41.602 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 15.452 -16.796 40.100 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 -1.976 -15.047 31.595 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 -1.021 -15.000 31.372 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 -2.430 -14.899 30.736 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 14.712 -17.217 36.876 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 15.583 -16.780 36.975 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.902 -17.980 36.285 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 -0.707 -20.468 28.200 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 -0.187 -19.919 28.820 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 -0.330 -20.274 27.336 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 0.401 -18.788 30.077 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 -0.538 -18.530 30.199 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 0.862 -17.947 29.871 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 17.264 -16.328 36.763 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 17.265 -16.749 35.873 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 18.156 -16.524 37.123 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 1.532 -18.675 37.784 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 1.226 -19.577 38.017 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 2.501 -18.767 37.710 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 10.707 -20.890 35.591 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 11.684 -20.951 35.472 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 10.575 -21.045 36.542 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 14.317 -0.428 -0.853 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 15.157 -0.540 -1.317 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 14.580 -0.193 0.064 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 13.540 -2.948 0.117 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 12.773 -3.437 -0.264 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 13.640 -2.168 -0.462 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 11.453 -4.654 -0.200 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 10.697 -4.815 0.400 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 11.566 -5.501 -0.671 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 11.899 -0.541 -2.182 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 12.746 -0.433 -1.695 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 11.279 0.058 -1.717 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 10.163 1.248 -0.968 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 10.503 2.134 -0.802 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 9.209 1.365 -1.020 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 17.154 -2.096 1.436 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 17.567 -1.778 2.264 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 16.461 -1.434 1.251 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 13.519 0.980 5.501 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 13.102 1.843 5.614 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 12.995 0.381 6.099 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 15.094 -2.582 5.153 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 15.936 -3.011 4.888 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 15.311 -2.132 5.999 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 15.230 -0.076 1.720 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 14.512 -0.497 2.241 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 15.636 0.553 2.347 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 14.801 -3.705 -4.068 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 14.140 -4.188 -4.568 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 14.713 -2.778 -4.384 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 11.922 -2.382 -7.231 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 11.805 -1.585 -7.755 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 11.821 -2.079 -6.306 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 13.507 -1.047 3.591 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 13.264 -0.287 4.151 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 14.061 -1.611 4.182 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 12.272 3.803 11.875 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 11.529 4.257 12.283 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 13.047 4.376 12.081 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 14.492 5.276 12.486 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 15.124 5.119 13.196 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 14.932 5.913 11.913 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 11.984 -0.444 7.128 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.732 0.135 7.883 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 11.696 -1.341 7.407 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 14.669 -0.773 9.883 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 14.178 0.046 10.073 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 14.724 -1.218 10.743 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 11.548 1.376 9.119 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 11.159 2.248 9.240 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 12.187 1.295 9.854 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 17.757 -0.957 3.893 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 18.451 -0.609 4.495 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 17.035 -0.297 3.957 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 15.949 1.130 4.144 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 16.365 1.908 4.532 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 15.091 1.054 4.615 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 16.046 2.110 10.115 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 16.356 1.449 9.481 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 16.870 2.530 10.440 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 15.652 -1.106 7.395 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 15.320 -1.156 8.325 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 15.219 -0.320 7.037 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 4.308 -0.634 17.198 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 3.796 -0.482 17.993 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 4.582 0.240 16.920 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 14.119 -0.564 12.695 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 13.816 0.227 12.202 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 14.748 -0.217 13.337 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 18.391 0.968 8.298 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 18.693 1.063 7.379 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 18.333 0.001 8.427 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 13.556 1.571 11.021 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 13.088 2.365 11.377 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 14.438 1.921 10.734 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 20.494 -41.360 18.279 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 20.381 -40.449 17.935 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 20.628 -41.907 17.471 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 20.192 -43.108 20.289 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 20.268 -42.436 19.575 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 21.122 -43.387 20.449 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 21.891 -45.012 18.024 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 21.761 -44.327 17.338 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 22.831 -44.962 18.233 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 21.902 -42.134 24.056 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 21.026 -42.399 23.717 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 21.925 -42.499 24.972 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 20.944 -43.122 16.214 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 20.992 -42.873 15.283 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 20.160 -43.716 16.266 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 23.311 -41.978 18.850 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 22.492 -41.603 18.483 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 24.028 -41.523 18.350 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 21.812 -48.011 21.759 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 21.626 -47.060 21.873 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 20.983 -48.374 21.420 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 16.225 -42.278 20.729 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 15.704 -41.512 21.063 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 16.455 -42.783 21.535 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 24.314 -42.671 22.853 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 23.500 -42.392 23.334 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 24.592 -43.496 23.310 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 19.368 -37.656 13.753 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 19.924 -37.259 14.451 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 19.376 -38.616 13.957 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 19.577 -43.206 22.914 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 18.609 -43.277 23.071 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 19.649 -43.035 21.948 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 22.125 -46.003 24.937 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 21.677 -45.761 24.103 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 22.854 -46.589 24.651 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 26.264 -44.800 21.501 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 25.867 -45.043 22.362 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 26.205 -43.845 21.478 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 19.075 -46.997 21.574 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 19.742 -46.401 21.962 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 18.980 -46.680 20.653 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 22.788 -43.771 20.822 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 23.431 -43.506 21.513 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 23.082 -43.276 20.021 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 18.991 -40.422 11.050 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 19.466 -40.640 10.242 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 18.772 -39.474 10.952 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 19.150 -40.478 13.799 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 19.122 -40.574 12.822 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 18.736 -41.290 14.132 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 26.945 -39.379 21.669 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 27.748 -38.943 21.971 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 26.659 -39.915 22.442 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 21.077 -47.102 27.199 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.475 -46.661 26.417 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 21.846 -47.485 27.678 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 23.889 -47.628 23.431 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 24.541 -48.330 23.335 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 23.193 -47.854 22.769 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 16.006 -46.175 23.726 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 15.606 -46.162 24.615 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 16.624 -46.935 23.755 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 14.934 -38.496 9.101 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 15.006 -39.213 9.754 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 13.994 -38.239 9.130 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 25.469 -37.318 20.142 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 24.899 -37.559 20.902 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 26.293 -37.804 20.308 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 25.876 -35.153 16.724 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 25.440 -34.354 16.360 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 26.224 -35.618 15.930 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 24.810 -40.228 17.349 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 23.905 -39.877 17.214 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 25.378 -39.457 17.243 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 21.074 -36.256 15.711 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 21.132 -36.266 16.693 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 21.994 -36.324 15.422 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 22.331 -39.058 17.344 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 21.430 -38.704 17.259 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 22.899 -38.258 17.440 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 14.282 -40.630 13.990 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 13.339 -40.412 13.856 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 14.684 -40.497 13.117 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 19.010 -45.235 33.476 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.051 -45.013 33.446 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 19.448 -44.478 33.019 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 17.172 -48.689 28.528 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 16.845 -47.794 28.328 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 17.864 -48.847 27.846 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 15.657 -46.124 31.070 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 16.305 -45.924 30.361 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 15.784 -47.080 31.244 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 25.248 -44.163 30.820 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 26.032 -43.856 30.341 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 24.778 -43.330 31.067 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 23.715 -45.662 32.522 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 24.388 -45.137 32.030 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 23.399 -45.052 33.225 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 25.054 -45.060 26.479 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 24.462 -44.688 27.158 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 25.161 -46.004 26.746 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 21.403 -45.799 37.529 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 21.966 -46.368 36.994 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 20.536 -45.808 37.056 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 22.373 -43.947 34.215 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 21.858 -43.916 35.029 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 21.723 -43.698 33.508 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 22.923 -48.382 28.781 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 22.172 -49.013 28.868 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 23.243 -48.263 29.707 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.791 -48.111 31.348 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 23.991 -48.705 32.074 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 23.761 -47.220 31.767 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 22.851 -41.818 39.680 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 22.631 -41.773 40.638 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 22.814 -40.879 39.382 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 19.095 -45.857 36.119 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 18.306 -46.416 36.284 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 19.075 -45.694 35.146 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 25.661 -42.307 28.612 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 24.735 -42.587 28.529 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 25.613 -41.468 29.116 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 20.531 -49.742 28.899 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 19.952 -49.488 29.626 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 19.956 -49.722 28.115 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 24.051 -41.770 34.075 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 24.265 -41.812 33.124 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 23.516 -42.571 34.234 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 25.187 -39.933 29.886 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 24.802 -39.427 29.145 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 25.766 -39.277 30.348 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 25.634 -37.300 26.867 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 25.723 -37.511 25.911 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 24.947 -37.914 27.182 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 21.985 -43.569 26.361 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 22.067 -44.430 25.904 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 22.377 -43.726 27.239 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 18.898 -43.357 37.327 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.441 -43.394 38.147 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.947 -44.264 36.965 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 20.525 -43.240 39.484 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 21.298 -42.644 39.527 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 20.517 -43.681 40.354 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 26.339 -42.567 25.986 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.301 -42.348 26.939 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.050 -43.495 25.948 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 17.229 -45.714 28.869 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 18.143 -45.987 29.116 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 17.310 -44.744 28.698 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 24.983 -45.137 23.813 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 25.120 -45.123 24.788 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.652 -46.042 23.631 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 16.261 -45.125 33.612 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 16.034 -45.319 32.681 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 15.462 -45.387 34.109 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 15.795 -46.579 26.629 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 16.225 -46.115 27.376 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 14.889 -46.192 26.595 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 23.440 -44.246 28.682 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 24.187 -44.414 29.289 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 22.644 -44.399 29.243 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.543 -39.459 33.701 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 22.073 -40.009 33.035 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 23.253 -40.047 34.031 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 19.795 -46.363 29.527 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 20.190 -46.630 28.669 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 20.478 -45.779 29.931 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 17.692 -39.216 44.505 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.033 -38.499 45.080 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 16.914 -38.811 44.067 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.830 -40.415 43.220 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.365 -40.627 42.379 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 19.139 -39.999 43.772 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 21.166 -45.368 22.386 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 20.603 -44.630 22.717 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 21.818 -44.923 21.795 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 23.459 -44.313 38.717 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.251 -43.382 38.973 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 22.669 -44.604 38.215 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 26.119 -40.796 23.881 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 26.356 -41.315 24.687 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 25.494 -41.380 23.402 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 19.799 -46.170 39.798 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 20.441 -45.971 39.090 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 20.181 -45.750 40.592 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 25.098 -47.627 27.337 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 25.756 -48.276 27.597 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.286 -47.899 27.824 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 18.809 -47.503 31.840 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.967 -46.806 32.509 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 19.208 -47.144 31.020 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 16.480 -48.745 31.240 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 17.334 -48.442 31.632 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 16.702 -48.925 30.302 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 22.455 -39.268 38.877 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 21.728 -38.754 39.296 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.286 -39.174 37.908 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 26.622 -38.693 40.566 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 26.731 -39.603 40.218 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 25.872 -38.325 40.038 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 21.728 -38.815 36.316 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 21.080 -38.087 36.235 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 21.990 -39.006 35.391 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 23.984 -41.876 31.344 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 23.008 -41.694 31.440 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 24.328 -41.096 30.855 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 16.393 -45.399 47.093 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 16.580 -44.652 47.708 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 15.907 -46.028 47.628 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 26.790 -39.438 43.179 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 26.783 -39.104 42.258 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 26.540 -40.379 43.091 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 18.035 -37.739 49.707 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 17.953 -37.083 50.437 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 17.740 -38.588 50.116 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.176 -46.157 40.694 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 23.374 -45.546 39.955 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 22.972 -46.992 40.264 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 19.900 -38.438 47.829 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 19.334 -38.186 48.595 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 20.772 -38.031 48.030 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 25.999 -43.993 39.744 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 26.404 -44.865 39.731 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 25.097 -44.141 39.384 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 21.110 -44.769 41.803 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 20.828 -45.131 42.682 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 21.940 -45.257 41.601 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 20.436 -45.731 44.213 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 19.578 -45.325 44.490 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 20.838 -46.010 45.038 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 18.998 -41.119 47.611 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 19.261 -40.178 47.548 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.712 -41.350 46.710 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 17.547 -41.877 45.128 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 17.026 -42.224 44.373 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 17.573 -40.910 44.970 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 18.191 -44.609 45.198 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 17.524 -44.991 45.809 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 18.018 -43.647 45.227 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 26.306 -41.280 39.631 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 26.341 -42.263 39.633 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 25.851 -41.063 38.809 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 21.710 -42.118 42.151 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 21.387 -43.043 42.188 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.002 -41.596 42.593 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 23.658 -40.940 43.634 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 22.972 -41.418 43.122 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.500 -41.261 43.260 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 18.372 -37.035 46.024 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 19.033 -37.448 46.616 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 17.576 -36.920 46.596 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 18.990 -42.045 50.154 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 19.094 -41.738 49.219 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.885 -42.268 50.430 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 16.187 -42.635 42.764 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 15.308 -42.202 42.691 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 16.051 -43.515 42.367 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 27.093 -36.202 41.574 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 27.155 -35.575 40.808 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 27.074 -37.094 41.153 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 22.035 -24.551 2.411 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.064 -25.225 1.695 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 22.879 -24.650 2.859 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 18.860 -16.815 0.978 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 18.465 -17.706 1.119 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 19.437 -16.691 1.753 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 19.881 -22.990 3.108 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.739 -23.432 2.917 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 19.222 -23.648 2.868 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 22.337 -26.504 0.497 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 21.658 -26.751 -0.139 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 23.120 -26.984 0.208 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 20.155 -16.991 3.509 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 20.646 -17.798 3.223 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 20.030 -17.123 4.477 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 17.135 -31.229 10.427 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 17.389 -30.295 10.600 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 16.752 -31.208 9.529 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 27.884 -18.908 18.307 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.179 -18.733 17.664 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 28.055 -19.878 18.219 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 23.293 -22.583 14.532 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 22.355 -22.335 14.420 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 23.353 -23.465 14.134 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.035 -33.375 13.619 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 22.980 -32.848 12.788 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.143 -33.279 14.013 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 19.124 -28.804 13.358 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 19.545 -28.309 14.111 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 18.812 -29.626 13.766 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 20.448 -32.440 14.115 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 20.227 -32.157 13.203 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 20.407 -31.610 14.642 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 22.461 -28.228 16.877 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 21.585 -28.024 16.475 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 23.071 -28.242 16.114 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 15.626 -23.127 6.803 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 15.138 -23.918 6.496 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 14.928 -22.559 7.192 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 24.299 -37.204 17.633 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 24.668 -37.290 18.535 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 24.815 -36.471 17.236 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.914 -29.698 13.123 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 21.050 -29.257 13.093 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 22.468 -29.103 13.666 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.992 -25.400 14.340 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 22.008 -25.476 14.415 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.277 -25.093 15.221 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 19.940 -30.341 15.819 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 19.939 -29.358 15.853 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 20.400 -30.608 16.640 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 28.461 -21.515 18.334 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 27.533 -21.839 18.474 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 29.019 -22.252 18.654 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 18.580 -29.778 8.053 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 18.550 -28.841 7.769 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 18.763 -29.725 9.004 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 27.315 -34.212 20.744 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 27.363 -34.697 21.587 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 26.381 -34.310 20.468 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 19.240 -34.128 15.896 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 19.825 -34.902 15.784 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 19.642 -33.443 15.321 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 22.445 -31.831 11.513 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 21.526 -31.998 11.234 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 22.391 -30.987 12.011 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 24.719 -34.651 19.988 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 23.855 -34.704 20.449 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 25.006 -35.586 19.911 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 13.206 -33.307 7.042 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 14.020 -33.552 7.549 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 12.855 -34.153 6.741 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 16.426 -33.803 10.876 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 17.301 -34.199 11.059 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 16.604 -32.837 10.836 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 19.654 -32.198 11.468 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 18.860 -31.770 11.099 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 19.450 -33.155 11.430 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 18.884 -34.861 11.718 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 19.080 -35.682 11.236 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 19.014 -35.097 12.651 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 25.163 -34.747 12.456 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.110 -34.352 11.581 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 24.390 -34.382 12.931 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 28.749 -25.725 20.025 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 28.390 -26.561 20.393 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.701 -25.097 20.776 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 25.642 -31.322 20.102 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 24.854 -31.539 19.570 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.375 -31.750 19.620 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 30.137 -23.339 19.547 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 29.891 -23.228 20.478 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 29.933 -24.275 19.359 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 21.666 -20.742 11.197 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.541 -21.061 10.950 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 21.767 -20.485 12.149 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.717 -27.987 14.383 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.507 -28.043 13.836 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.421 -27.049 14.285 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 18.455 -16.269 11.436 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 17.905 -16.594 12.189 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 19.136 -16.966 11.320 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 24.763 -25.497 16.569 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.043 -26.206 15.986 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 25.576 -25.281 17.092 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 29.599 -18.951 20.444 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 28.926 -18.832 19.742 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 30.310 -19.475 20.005 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 18.308 -28.787 10.715 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 18.708 -28.760 11.609 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 18.391 -27.878 10.388 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.060 -33.054 18.308 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 26.764 -33.834 17.806 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 27.456 -33.431 19.121 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 23.860 -32.572 18.308 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.195 -33.331 18.836 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 24.228 -32.726 17.411 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 18.470 -27.037 7.946 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 18.321 -26.471 7.182 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 18.453 -26.423 8.707 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 24.845 -21.222 23.230 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 24.535 -22.135 23.430 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.336 -21.320 22.382 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.449 -29.414 22.067 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.626 -30.047 21.329 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 24.505 -29.573 22.291 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 21.892 -31.571 20.708 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 22.133 -32.502 20.605 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 21.689 -31.274 19.799 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 27.250 -27.393 21.585 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.645 -26.640 21.717 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.672 -28.178 21.649 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.784 -30.780 17.990 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.552 -31.395 17.998 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.166 -29.919 17.723 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 25.722 -38.005 24.211 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 25.005 -37.965 23.545 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 25.963 -38.953 24.242 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 26.668 -35.455 23.181 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 26.271 -36.290 23.496 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 27.392 -35.278 23.832 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 28.416 -35.080 25.166 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 29.260 -34.630 25.376 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 27.909 -35.036 25.999 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 19.835 -21.649 9.245 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 19.363 -22.249 9.849 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 20.595 -21.331 9.771 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 18.410 -37.684 11.185 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 17.502 -37.375 11.297 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.769 -37.718 12.105 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 28.629 -21.167 21.736 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 28.986 -20.357 21.317 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 27.756 -21.308 21.284 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 26.901 -25.006 18.110 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 27.632 -25.241 18.718 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 26.686 -24.067 18.339 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 31.059 -20.706 18.997 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 31.273 -21.620 19.246 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 30.271 -20.794 18.433 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 20.531 -22.963 14.134 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 20.148 -22.916 13.251 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 20.442 -23.909 14.386 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.314 -21.409 15.950 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 24.642 -21.909 15.434 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.530 -21.996 16.692 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 24.756 -32.863 15.697 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 25.272 -32.115 15.376 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 24.145 -33.072 14.954 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 16.828 -36.591 8.665 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 16.131 -37.286 8.684 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 17.617 -37.040 8.983 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.472 -36.256 14.306 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 26.029 -35.712 13.615 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 26.976 -36.904 13.810 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 21.403 -19.367 3.101 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.238 -19.833 3.219 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 20.790 -20.051 2.801 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 30.681 -33.657 25.790 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 31.586 -33.832 26.060 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 30.632 -32.698 25.722 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 27.868 -33.371 37.349 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 27.879 -32.392 37.331 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 28.107 -33.625 36.454 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 18.253 -23.886 37.914 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 17.409 -24.383 37.849 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 18.344 -23.458 37.033 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 26.681 -31.392 34.483 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 27.085 -31.343 33.584 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 25.733 -31.496 34.312 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 21.908 -29.037 33.146 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 21.559 -29.570 33.892 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 21.275 -28.318 33.055 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 19.163 -24.564 40.389 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 18.929 -24.365 39.456 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 19.253 -25.533 40.410 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.718 -44.853 30.694 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.340 -45.255 31.331 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.245 -44.158 31.224 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 26.404 -29.606 26.876 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 26.679 -28.711 26.631 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 26.433 -30.106 26.022 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 26.260 -30.636 24.398 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 26.098 -31.562 24.118 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 26.118 -30.119 23.584 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.736 -29.551 27.390 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 24.702 -29.604 27.207 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 23.354 -29.212 26.556 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 24.064 -27.381 29.151 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 23.942 -28.183 28.600 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 23.562 -27.568 29.954 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 20.498 -33.378 33.943 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 20.751 -33.737 34.813 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 19.550 -33.115 34.057 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 20.886 -30.676 35.090 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 20.419 -31.283 34.483 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 20.186 -30.336 35.664 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 15.987 -25.361 37.517 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 16.556 -26.132 37.299 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 15.163 -25.763 37.874 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 18.456 -22.835 32.775 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 18.531 -22.763 31.806 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 18.651 -23.775 32.961 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 25.370 -19.547 26.935 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 24.536 -19.464 26.420 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 25.233 -20.331 27.479 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 20.284 -23.516 28.225 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.980 -23.013 29.003 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 19.527 -24.063 27.989 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 28.447 -23.857 22.006 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 28.576 -24.072 22.962 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 28.489 -22.875 21.977 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 14.808 -22.765 36.890 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 15.234 -23.638 36.813 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 14.059 -22.917 37.515 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 25.583 -32.906 23.076 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 25.925 -33.827 23.055 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 25.669 -32.600 22.158 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 26.887 -30.133 29.611 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 26.969 -29.172 29.818 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 26.783 -30.152 28.638 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 25.077 -32.247 40.075 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 24.777 -31.531 40.673 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 24.372 -32.926 40.146 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 27.827 -31.228 32.008 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 28.492 -31.779 31.589 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 27.455 -30.701 31.272 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 19.836 -36.779 35.894 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 20.144 -36.909 34.960 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 18.882 -36.611 35.806 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 23.804 -32.338 27.982 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 23.662 -31.398 27.748 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 23.957 -32.780 27.116 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 19.237 -27.387 39.633 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 20.134 -27.789 39.635 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 18.958 -27.429 38.699 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 23.466 -31.102 32.287 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 22.974 -30.257 32.373 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 23.653 -31.359 33.207 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 23.663 -31.674 35.054 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.762 -31.326 35.229 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 24.119 -31.604 35.920 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 26.825 -27.418 29.658 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 27.195 -26.514 29.594 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.867 -27.292 29.528 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.522 -33.700 25.590 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 24.795 -33.298 24.740 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.039 -34.512 25.324 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 18.107 -28.051 34.426 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 17.935 -27.690 33.548 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 18.143 -29.033 34.277 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.654 -27.574 24.705 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.725 -27.863 24.829 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.935 -28.023 23.893 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 17.665 -27.536 37.171 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 17.433 -28.415 37.548 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 17.806 -27.715 36.216 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 19.937 -30.694 38.242 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 20.918 -30.696 38.242 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 19.699 -31.532 37.782 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 24.769 -24.918 28.014 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 23.986 -24.413 27.694 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 24.384 -25.730 28.413 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 27.267 -24.751 29.088 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.348 -24.774 28.744 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.626 -23.931 28.745 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.639 -23.679 26.838 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 21.815 -23.576 27.368 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 22.335 -24.004 25.984 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 18.378 -22.622 35.522 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 18.347 -22.534 34.543 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 18.190 -21.714 35.849 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.047 -25.849 18.648 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 22.834 -26.738 18.318 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.702 -25.510 18.006 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 24.317 -23.897 23.667 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 24.878 -24.174 24.418 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.702 -24.368 22.899 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.558 -34.830 27.239 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.921 -34.294 26.725 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.260 -35.761 27.091 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 26.047 -25.005 25.544 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 25.963 -25.945 25.253 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.643 -24.994 26.436 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.712 -32.639 29.944 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.114 -31.755 30.061 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 25.266 -32.582 29.076 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 27.755 -30.653 36.810 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.466 -30.867 35.887 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.165 -29.785 36.732 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 26.586 -37.865 30.908 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 26.485 -36.957 30.550 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 27.361 -37.807 31.471 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 23.260 -19.924 25.236 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.784 -20.153 24.441 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 22.704 -20.700 25.382 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 18.516 -21.982 40.981 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.909 -22.888 40.962 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 17.552 -22.149 41.042 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 28.562 -24.381 24.664 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 29.093 -24.877 25.292 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 27.636 -24.524 24.965 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 17.346 -29.708 43.929 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 17.468 -30.671 43.797 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 16.504 -29.644 44.446 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 25.871 -24.979 21.623 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.706 -24.491 21.783 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.695 -24.844 20.679 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 17.348 -29.873 38.503 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 17.254 -29.992 39.459 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 18.254 -30.194 38.311 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 23.024 -28.312 24.865 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 22.323 -27.663 24.679 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.949 -28.964 24.133 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 22.633 -31.053 38.507 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.668 -31.900 38.976 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 23.495 -31.004 38.040 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 22.909 -30.125 22.794 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 22.629 -30.747 23.502 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.566 -30.539 21.966 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 21.265 -34.501 36.462 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 20.591 -33.869 36.800 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 20.765 -35.339 36.339 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.576 -35.495 37.531 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 22.768 -35.163 37.072 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 24.254 -35.488 36.844 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.132 -31.401 37.430 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.303 -31.791 38.314 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 26.010 -31.079 37.139 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 19.150 -32.932 37.005 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 18.588 -33.496 37.569 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 18.621 -32.814 36.170 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.595 -37.606 39.134 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.274 -36.860 38.592 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.858 -38.254 39.106 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 20.452 -33.426 40.092 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 20.183 -33.043 40.955 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 19.614 -33.748 39.701 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 25.881 -41.901 42.302 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 25.943 -42.863 42.240 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.999 -41.595 41.377 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 23.030 -34.070 39.821 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 23.186 -34.543 38.973 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 22.060 -33.879 39.818 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 18.289 -22.475 30.016 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 17.802 -23.098 29.428 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 17.698 -21.718 30.098 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.933 -21.453 38.618 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 19.557 -22.213 38.145 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 19.749 -21.643 39.553 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 20.702 -19.064 37.538 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 20.464 -19.947 37.911 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 21.628 -18.917 37.844 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.325 -18.493 38.039 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 23.982 -18.278 38.706 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.743 -18.230 37.196 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 18.913 -25.285 34.035 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 18.800 -24.661 34.769 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 18.821 -26.160 34.447 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 26.499 -35.265 29.946 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.745 -35.211 28.996 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 26.335 -34.330 30.198 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 23.153 -33.845 33.386 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 22.181 -33.833 33.500 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 23.478 -33.243 34.080 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 23.835 -35.975 29.754 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 24.806 -35.863 29.726 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.654 -36.633 29.071 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 26.876 -19.804 24.629 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 26.407 -19.706 25.482 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 26.247 -20.303 24.068 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 17.681 -32.429 44.231 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 17.756 -32.208 45.185 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 17.299 -33.339 44.228 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 20.618 -30.975 45.763 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 20.444 -30.081 45.404 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 21.154 -30.811 46.568 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 25.572 -33.885 47.247 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.640 -33.928 47.551 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 26.005 -34.638 47.713 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 21.917 -32.423 49.885 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 22.001 -31.742 49.169 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 22.342 -32.016 50.648 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.509 -31.398 46.731 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 25.058 -32.179 46.950 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.477 -31.396 45.755 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.061 -34.336 48.253 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 22.672 -33.685 48.875 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.879 -35.199 48.663 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 20.826 -28.275 47.381 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 20.375 -28.243 46.512 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 20.160 -27.971 48.004 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 22.341 -37.153 47.920 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 23.212 -37.548 47.724 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 22.144 -36.610 47.129 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 26.880 -34.272 39.739 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 27.351 -34.103 38.891 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 26.328 -33.472 39.866 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 22.253 -30.557 47.978 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.075 -29.605 47.823 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.134 -30.713 47.553 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 21.686 -33.057 44.313 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 21.112 -32.920 43.534 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 21.359 -32.396 44.964 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 17.484 -36.039 51.722 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 16.560 -36.319 51.924 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 17.677 -35.373 52.385 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 25.995 -33.594 43.006 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 26.353 -34.154 43.730 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 26.452 -33.906 42.218 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 24.186 -31.840 43.996 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 23.413 -32.426 44.122 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 24.891 -32.440 43.654 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 29.880 -37.286 45.541 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 30.683 -37.558 45.047 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.480 -36.605 44.976 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 18.209 -31.675 46.817 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 19.040 -31.380 46.388 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 18.517 -32.187 47.601 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 26.297 -36.268 48.211 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 25.717 -36.944 47.817 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 27.168 -36.714 48.291 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 22.205 -35.310 45.882 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 22.010 -34.609 45.227 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 22.559 -34.819 46.656 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 29.293 -35.668 43.174 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 28.917 -34.909 43.639 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.583 -35.946 42.559 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 19.733 -32.242 42.445 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 19.458 -31.433 41.953 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.023 -32.364 43.118 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.019 -30.165 40.814 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.477 -30.326 39.962 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 19.057 -29.200 40.923 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 31.556 -37.265 43.322 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 31.951 -37.452 42.468 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 30.846 -36.618 43.124 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 26.907 -35.129 45.079 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.812 -36.058 45.375 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 26.573 -34.602 45.834 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 27.130 -37.851 45.321 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 28.080 -37.853 45.554 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 27.070 -38.470 44.553 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 17.338 -40.017 50.988 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 17.889 -40.780 50.713 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 16.826 -40.350 51.729 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 21.698 -28.792 39.917 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 22.399 -28.719 40.578 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 22.009 -29.502 39.321 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.419 -30.568 41.699 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.471 -30.633 41.845 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.812 -30.824 42.562 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 16.019 -23.250 40.690 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 15.700 -23.217 39.776 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 16.309 -24.171 40.810 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.437 -33.062 48.789 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 20.268 -32.883 49.274 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 19.246 -33.985 48.978 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 28.856 -37.246 48.175 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 29.213 -37.387 47.276 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 29.587 -36.850 48.660 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.707 -38.899 45.067 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 23.081 -39.638 44.520 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 21.804 -39.184 45.258 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.692 -37.918 46.601 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.553 -38.144 46.192 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.032 -38.426 46.076 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.628 -7.361 -3.368 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 24.269 -6.672 -2.778 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 23.900 -8.005 -3.456 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 18.152 -10.632 -6.997 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 17.302 -10.553 -7.483 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 18.201 -11.594 -6.760 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 21.571 -17.250 -5.681 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.543 -18.048 -6.217 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 22.292 -17.404 -5.060 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 19.862 -10.440 -4.709 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 20.444 -9.781 -5.159 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 19.122 -10.566 -5.331 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.282 -11.818 -4.755 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 21.372 -11.486 -4.873 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 22.451 -12.343 -5.566 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 22.733 -11.347 1.437 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 22.563 -12.145 1.952 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 23.506 -10.927 1.889 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 27.083 -8.411 -2.893 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 27.732 -7.942 -3.419 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 26.223 -8.011 -3.158 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 20.397 -14.807 -5.823 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.112 -14.278 -6.238 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.743 -15.729 -5.843 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 23.852 -5.599 -1.331 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 24.408 -4.848 -1.104 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 24.076 -6.276 -0.655 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 22.500 -6.514 -7.107 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.248 -6.272 -7.666 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 21.710 -6.210 -7.614 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 21.519 -8.917 -6.207 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 22.043 -8.105 -6.367 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 21.277 -9.222 -7.101 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 21.125 -5.576 -4.926 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 21.744 -5.958 -5.587 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 20.509 -5.051 -5.457 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 23.608 -10.994 -1.179 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 23.379 -11.847 -1.620 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 23.352 -11.135 -0.244 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 24.865 -7.455 0.528 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 25.308 -7.502 1.387 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 25.274 -8.183 0.010 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 22.381 -8.476 1.198 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 22.655 -9.396 1.345 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 23.207 -8.023 0.931 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 18.425 -7.720 -7.126 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 18.230 -8.661 -6.971 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 18.194 -7.285 -6.276 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 19.138 -6.891 -0.707 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 19.237 -5.957 -0.461 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 19.704 -6.993 -1.500 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 22.682 -9.380 -3.257 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.725 -9.987 -4.024 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 23.079 -9.897 -2.521 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.453 -13.387 -7.017 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.123 -12.878 -7.798 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 23.312 -13.719 -7.298 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 20.385 -14.571 -3.059 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 20.277 -14.697 -4.025 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 19.726 -15.171 -2.663 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 21.669 -11.937 -9.175 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 21.215 -11.089 -8.979 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 21.689 -11.977 -10.135 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 19.030 -9.476 2.816 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 19.607 -9.965 3.451 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 18.382 -9.009 3.392 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 27.232 -9.494 1.745 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 26.874 -9.617 0.835 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 28.180 -9.606 1.643 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 20.907 -14.388 3.205 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 20.641 -15.337 3.220 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 20.258 -13.953 3.768 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.553 -7.190 2.724 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 21.327 -7.444 2.171 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 19.930 -7.931 2.610 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 20.069 -5.763 -8.066 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 19.495 -5.154 -8.542 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 19.459 -6.460 -7.733 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 17.565 -3.612 4.582 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 17.748 -2.668 4.383 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 18.134 -4.104 3.942 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 15.890 -10.238 3.657 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 16.050 -9.923 4.563 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 15.870 -11.210 3.742 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 23.575 -11.516 4.642 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 23.700 -12.464 4.433 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 23.133 -11.520 5.513 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 24.687 -9.973 2.621 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 24.602 -10.347 3.521 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 25.654 -9.828 2.507 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 23.535 -14.136 3.794 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 22.577 -14.263 3.590 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.989 -14.679 3.140 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.049 -9.612 -0.694 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 25.304 -10.168 -1.004 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 26.486 -9.307 -1.526 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 24.347 -14.657 6.406 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 24.030 -14.509 5.494 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 25.295 -14.782 6.311 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 17.923 -6.578 -4.631 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 17.789 -5.651 -4.368 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 18.614 -6.896 -4.025 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 22.657 -13.204 -2.446 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 21.939 -13.865 -2.545 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.693 -12.762 -3.320 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 15.003 -17.336 0.026 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 14.258 -17.471 0.638 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 15.510 -18.178 0.077 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 17.536 -7.736 4.353 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 18.268 -7.249 4.790 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 16.895 -7.905 5.076 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.631 -4.256 -2.584 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 22.299 -4.764 -2.080 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 21.555 -4.739 -3.436 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 21.672 -1.554 -3.272 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 21.735 -2.472 -2.930 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 22.123 -1.023 -2.611 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 18.812 -4.032 -3.069 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 19.726 -4.123 -2.733 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 18.887 -3.348 -3.774 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 20.629 -7.431 -3.001 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 20.823 -6.767 -3.695 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.330 -8.105 -3.116 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 19.886 -17.684 6.160 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 20.165 -18.606 6.190 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 20.066 -17.351 7.069 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 22.229 -4.253 16.784 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 22.360 -3.300 16.773 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 23.067 -4.605 17.103 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 17.315 -11.260 9.885 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 18.181 -11.185 10.342 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 17.053 -12.198 10.019 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 19.431 -11.084 11.672 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 20.348 -11.434 11.641 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 18.945 -11.748 12.201 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 29.055 -9.661 20.048 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 29.114 -10.004 20.972 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.973 -9.536 19.787 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 19.998 -17.956 13.976 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 20.272 -17.164 14.465 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 19.025 -17.854 13.891 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.583 -13.647 12.448 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.199 -13.567 13.205 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.637 -14.591 12.197 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 27.494 -12.112 16.301 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 28.174 -12.791 16.532 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 27.631 -11.955 15.360 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.758 -11.471 16.216 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 21.370 -10.839 16.855 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.671 -11.607 16.542 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 20.562 -13.362 14.349 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 20.874 -12.786 15.079 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 20.151 -14.127 14.805 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 20.978 -9.728 18.484 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 21.097 -10.282 19.289 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 20.056 -9.402 18.558 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 24.133 -18.981 15.640 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 23.805 -18.952 16.566 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 24.638 -19.827 15.595 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 21.787 -12.461 11.944 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 22.566 -12.023 12.348 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 21.404 -12.980 12.680 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 22.024 -7.964 20.422 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 21.184 -7.582 20.759 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 21.750 -8.496 19.647 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 18.075 -4.963 21.212 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 17.465 -5.297 21.901 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 18.862 -4.669 21.715 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.329 -6.718 9.375 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.190 -6.299 9.492 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 20.236 -7.299 10.164 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.473 -9.050 19.380 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 17.922 -8.358 18.963 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 17.865 -9.810 19.481 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 16.497 -6.298 15.621 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 16.856 -5.429 15.353 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 15.948 -6.576 14.856 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 17.726 -5.707 11.897 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 18.336 -5.010 11.628 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 18.173 -6.138 12.660 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 30.428 -13.552 22.386 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 30.393 -13.958 21.501 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 29.575 -13.805 22.797 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 19.768 -7.187 21.780 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 20.054 -6.429 22.330 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 18.952 -6.873 21.352 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 29.613 -15.158 20.023 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 28.844 -14.602 20.283 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 29.300 -15.634 19.229 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 23.412 -11.470 14.000 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 24.129 -11.500 14.650 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.606 -11.388 14.543 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 28.060 -14.629 23.319 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 27.721 -14.353 22.438 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 28.038 -15.610 23.290 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 22.448 -15.221 8.296 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 22.169 -14.329 8.573 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 23.187 -15.058 7.669 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 27.351 -11.536 19.015 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 27.960 -10.814 19.278 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 27.477 -11.618 18.047 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 22.167 -19.673 13.647 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 22.892 -19.490 14.280 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.420 -19.137 13.977 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 15.349 -15.694 12.187 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 15.709 -16.418 12.730 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 14.441 -15.978 11.978 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 28.363 -16.305 17.776 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 28.509 -17.224 18.083 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 27.532 -16.364 17.259 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 21.875 -11.418 6.891 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 21.640 -12.113 7.548 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.095 -10.653 7.433 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 29.420 -13.897 17.010 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 29.019 -14.770 17.212 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 30.320 -13.968 17.346 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 18.981 -15.538 15.175 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.624 -15.571 16.069 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.299 -15.996 14.628 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 24.863 -14.098 20.682 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 24.141 -14.285 21.319 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 24.593 -13.260 20.252 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 24.686 -11.579 19.509 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 24.473 -10.702 19.898 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 25.666 -11.567 19.423 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.931 -8.301 11.626 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.845 -9.266 11.785 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.815 -7.900 12.517 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 26.842 -8.054 19.363 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 27.579 -8.596 19.710 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 27.170 -7.717 18.527 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 17.799 -10.424 6.146 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 18.330 -11.068 5.663 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 18.451 -9.774 6.477 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 17.525 -2.637 17.350 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 17.776 -3.466 17.814 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 17.359 -2.011 18.058 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 18.925 -8.189 7.433 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 19.358 -7.768 8.206 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 19.288 -7.697 6.662 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 30.612 -16.890 21.909 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 30.319 -17.722 21.473 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 30.388 -16.194 21.260 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 27.495 -13.677 20.790 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 27.539 -12.865 20.239 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.540 -13.932 20.761 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 20.504 -17.026 8.758 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 21.326 -16.478 8.672 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 20.601 -17.468 9.627 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.926 -6.746 5.342 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 20.247 -5.864 5.566 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 20.345 -6.939 4.472 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.174 -12.903 9.160 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 21.453 -12.772 10.091 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 20.345 -13.420 9.230 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 16.695 -18.093 10.025 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 17.260 -17.311 10.073 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 16.439 -18.258 10.960 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 15.078 -7.146 13.419 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 14.149 -7.441 13.562 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 15.030 -6.598 12.621 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 20.809 -10.812 4.388 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 21.665 -10.765 3.932 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 21.048 -11.021 5.315 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 24.584 -9.055 20.574 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 23.800 -8.475 20.472 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 25.311 -8.563 20.127 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 30.212 -9.610 25.082 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 30.596 -8.744 24.896 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 29.911 -9.545 26.009 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 24.602 -11.806 16.760 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.512 -11.775 17.737 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 25.549 -11.978 16.616 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 31.557 -14.709 24.760 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 31.403 -15.667 24.634 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 31.342 -14.316 23.890 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 35.026 -13.601 23.549 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 34.531 -13.926 22.790 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 35.936 -13.562 23.242 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 27.980 -17.234 24.255 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 28.927 -17.250 24.492 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 27.706 -18.174 24.309 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 30.882 -17.435 24.532 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 30.626 -18.382 24.572 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 30.895 -17.235 23.563 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 15.812 -4.052 13.052 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 16.449 -3.874 13.777 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 16.288 -4.671 12.469 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.054 -6.988 13.957 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 19.448 -6.417 14.652 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 18.420 -7.542 14.442 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 20.167 -4.677 22.973 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 19.539 -4.611 23.737 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 20.887 -4.085 23.209 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 18.262 -5.026 18.505 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 17.766 -5.853 18.348 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 18.258 -4.930 19.487 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 17.736 -3.910 14.985 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 17.573 -3.287 15.732 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 18.585 -4.340 15.219 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 19.818 -5.303 16.117 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 20.733 -4.992 16.312 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.369 -5.278 16.986 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 26.082 -17.086 16.366 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 25.495 -17.826 16.102 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 25.712 -16.323 15.913 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 20.379 -18.279 11.275 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 20.865 -19.110 11.087 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.423 -18.196 12.253 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 16.957 -5.493 6.483 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 15.979 -5.484 6.371 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 17.278 -4.859 5.807 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 18.997 -14.777 9.190 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 18.677 -15.106 10.058 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 19.561 -15.506 8.857 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 19.420 -0.129 5.906 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 19.185 -0.821 6.566 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 20.380 -0.184 5.835 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 29.570 -19.895 24.105 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 29.614 -20.437 23.298 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.652 -20.019 24.420 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.858 -10.491 31.590 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.410 -9.750 31.246 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 29.493 -11.049 32.091 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 23.766 -11.003 32.841 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 24.181 -11.680 32.263 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 23.813 -10.184 32.311 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 30.320 -8.643 30.240 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 30.128 -9.019 29.357 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 30.649 -7.761 30.055 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 33.025 -12.343 31.188 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 33.749 -11.758 31.424 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 33.319 -12.761 30.350 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 25.056 -12.468 30.896 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 25.706 -13.177 31.109 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 25.612 -11.710 30.613 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 21.020 -15.754 34.002 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.597 -16.598 33.751 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.996 -15.755 34.980 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 29.756 -9.987 27.830 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 30.602 -10.450 27.651 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 29.078 -10.686 27.729 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 23.786 -7.416 33.432 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 23.496 -6.574 33.850 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 23.998 -7.998 34.190 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 22.250 -5.434 34.550 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 21.678 -5.477 35.340 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 21.701 -5.010 33.883 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 27.877 -12.038 27.495 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 27.093 -11.451 27.531 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 28.020 -12.309 28.432 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 28.599 -12.723 30.004 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 28.674 -11.963 30.623 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 29.528 -12.899 29.725 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 24.126 -8.802 31.102 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 24.181 -8.143 31.830 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 23.296 -8.575 30.639 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 30.993 -13.157 28.752 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 31.200 -12.482 28.074 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 31.872 -13.459 29.056 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 20.620 -10.974 36.127 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 19.707 -11.122 36.437 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 20.719 -9.999 36.125 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 17.537 -8.417 34.428 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 16.755 -7.825 34.409 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.078 -8.120 33.683 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 14.959 -7.579 31.171 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 14.107 -7.371 30.735 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 14.826 -8.483 31.535 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 21.140 -8.365 35.613 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.908 -7.500 36.006 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 20.947 -8.253 34.654 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.310 -17.829 35.494 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.407 -18.147 35.240 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.904 -18.327 34.923 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 31.773 -11.447 26.715 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 32.552 -12.005 26.483 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 31.478 -11.088 25.863 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.962 -12.976 34.642 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.274 -12.587 35.486 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.276 -12.348 33.962 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 26.873 -14.461 31.194 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 27.573 -14.016 30.670 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 27.205 -14.420 32.117 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 30.574 -12.441 32.456 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 31.450 -12.296 32.026 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 30.466 -13.399 32.447 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 24.198 -14.500 29.236 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 24.825 -15.095 29.670 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 24.280 -13.666 29.737 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 20.376 -5.889 36.631 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 19.410 -5.812 36.564 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 20.552 -5.853 37.580 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 27.984 -13.693 33.593 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.601 -12.950 33.562 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 27.439 -13.523 34.388 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 21.913 -15.277 27.876 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 22.181 -15.882 27.158 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 22.755 -15.060 28.331 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 26.458 -13.399 35.937 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 25.694 -14.014 35.841 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 26.871 -13.667 36.763 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.809 -10.185 27.589 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.850 -10.059 27.605 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 26.079 -10.085 28.533 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 29.793 -14.798 26.874 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.470 -14.729 26.171 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 30.208 -14.363 27.646 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 26.335 -9.784 24.832 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 27.178 -9.327 24.763 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 26.228 -9.950 25.789 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 15.909 -11.618 39.318 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 16.829 -11.903 39.167 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 15.685 -11.998 40.196 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 21.485 -8.412 30.062 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 20.536 -8.127 30.036 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 21.538 -9.124 29.386 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 26.420 -10.158 30.231 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 27.209 -10.129 30.818 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 25.781 -9.543 30.655 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 19.471 -16.754 38.311 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 19.226 -16.904 39.250 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 19.955 -17.574 38.058 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 21.140 -8.057 32.895 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 21.060 -8.208 31.937 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 22.050 -7.718 33.005 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 24.417 -10.385 22.967 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 24.733 -9.990 22.127 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 25.152 -10.222 23.603 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 21.449 -7.789 25.200 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 21.655 -8.353 24.417 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 22.004 -7.010 25.081 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 27.117 -17.357 27.168 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 27.830 -17.822 27.615 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 26.405 -18.026 27.091 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 25.158 -17.450 23.867 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 26.058 -17.217 24.152 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 25.302 -18.078 23.122 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 18.748 -8.130 24.867 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 18.744 -8.859 24.217 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 19.697 -8.021 25.098 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 21.860 -18.821 35.040 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 21.113 -18.617 34.444 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 21.432 -19.021 35.897 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 21.838 -6.719 27.784 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 21.615 -7.353 27.079 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 21.841 -7.254 28.596 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 17.392 -8.062 37.176 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 17.261 -7.101 37.072 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 17.578 -8.379 36.270 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 22.043 -9.157 22.966 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 22.947 -9.546 22.988 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 21.996 -8.717 22.091 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 29.788 -10.742 22.492 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 29.898 -10.446 23.416 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 30.074 -11.674 22.504 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 18.263 -13.087 39.097 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 17.700 -13.880 39.207 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 19.030 -13.261 39.657 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 24.262 -11.746 36.733 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 24.139 -10.816 36.447 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 25.170 -11.962 36.458 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 22.903 -13.877 37.862 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 23.492 -14.443 37.326 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 23.253 -12.975 37.726 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 24.342 -15.130 35.874 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 24.316 -16.099 35.698 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 23.756 -14.746 35.192 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 23.646 -9.485 35.296 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 22.752 -9.171 35.554 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 23.490 -10.040 34.509 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 20.727 -14.993 36.647 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 20.257 -15.528 37.323 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 21.441 -14.542 37.155 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 19.522 -19.718 42.260 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 19.920 -20.042 43.072 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 19.185 -20.525 41.819 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 19.706 -5.253 28.776 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 20.574 -5.467 28.382 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 19.066 -5.447 28.066 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 33.635 -13.297 25.946 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 32.944 -13.924 25.646 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 34.286 -13.295 25.212 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 32.921 -17.316 26.526 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 33.414 -17.955 26.006 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 32.078 -17.218 26.045 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 33.724 -13.518 28.746 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 33.867 -13.336 27.794 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 33.990 -14.462 28.849 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 18.558 -17.614 40.787 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 18.014 -18.214 40.231 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 19.007 -18.221 41.419 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 19.626 -18.147 33.614 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 18.704 -17.917 33.899 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 19.500 -18.838 32.953 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 23.112 -17.074 25.738 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 22.856 -18.010 25.721 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 23.819 -17.013 25.066 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 34.233 -16.173 28.654 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 34.711 -16.949 28.952 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 33.702 -16.496 27.891 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 18.917 -7.623 29.939 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 19.121 -6.688 29.714 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 18.035 -7.775 29.550 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 17.659 -19.732 39.209 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 18.082 -20.461 39.695 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 17.937 -19.872 38.277 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 19.568 -2.150 -4.917 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 20.361 -1.876 -4.402 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 19.339 -1.369 -5.428 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 19.020 -4.926 2.735 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 19.649 -5.677 2.740 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 19.017 -4.624 1.803 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 25.838 -2.184 5.211 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 26.565 -1.557 5.204 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 26.260 -3.039 5.297 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 18.699 2.656 10.459 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 19.631 2.791 10.643 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 18.691 2.087 9.659 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 18.683 -4.550 8.422 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 18.071 -4.963 7.777 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 19.199 -5.299 8.773 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 18.343 -1.789 7.821 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 17.378 -1.761 7.654 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 18.511 -2.715 8.105 1.00 0.00 WAT1 END