REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -635.04, 70.0143, 110.002, 59.7759, 547.498, -552.725, -873.539, 3.70691, 0.227016 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.096113E-03,0.461163,1.27995,41.9917,4.899846E-03,0.158674 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 36, 7 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:33 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 9.241 -15.838 -4.713 1.00 12.52 ATOM 2 CB MET 1 7.689 -16.151 -6.166 1.00 32.43 ATOM 3 HB1 MET 1 7.891 -15.213 -6.668 1.00 38.16 ATOM 4 HB2 MET 1 6.622 -16.322 -6.164 1.00 53.43 ATOM 5 CG MET 1 8.346 -17.268 -6.966 1.00 31.43 ATOM 6 HG1 MET 1 8.136 -18.211 -6.481 1.00 38.16 ATOM 7 HG2 MET 1 9.413 -17.105 -6.983 1.00 25.43 ATOM 8 SD MET 1 7.747 -17.348 -8.667 1.00 1.24 ATOM 9 CE MET 1 8.626 -18.791 -9.270 1.00 2.33 ATOM 10 HE1 MET 1 8.381 -18.952 -10.310 1.00 24.33 ATOM 11 HE2 MET 1 8.335 -19.658 -8.695 1.00 24.24 ATOM 12 HE3 MET 1 9.690 -18.633 -9.171 1.00 72.41 ATOM 13 C MET 1 7.446 -14.910 -3.997 1.00 33.24 ATOM 14 O MET 1 6.290 -15.060 -3.601 1.00 44.04 ATOM 15 N MET 1 7.972 -17.348 -4.012 1.00 5.33 ATOM 16 HT1 MET 1 8.501 -18.108 -4.490 1.00 38.16 ATOM 17 HT2 MET 1 6.962 -17.596 -4.011 1.00 38.16 ATOM 18 HT3 MET 1 8.300 -17.282 -3.026 1.00 38.16 ATOM 19 CA MET 1 8.181 -16.052 -4.714 1.00 44.11 ATOM 20 N ALA 2 8.118 -13.771 -3.827 1.00 43.41 ATOM 21 HN ALA 2 9.055 -13.716 -4.118 1.00 38.16 ATOM 22 CA ALA 2 7.494 -12.598 -3.203 1.00 11.21 ATOM 23 HA ALA 2 7.020 -12.926 -2.286 1.00 23.54 ATOM 24 CB ALA 2 8.556 -11.565 -2.840 1.00 30.32 ATOM 25 HB1 ALA 2 9.032 -11.200 -3.740 1.00 54.35 ATOM 26 HB2 ALA 2 9.299 -12.021 -2.202 1.00 74.04 ATOM 27 HB3 ALA 2 8.095 -10.739 -2.319 1.00 71.51 ATOM 28 C ALA 2 6.422 -11.980 -4.119 1.00 41.01 ATOM 29 O ALA 2 6.706 -11.079 -4.911 1.00 63.12 ATOM 30 N ALA 3 5.197 -12.492 -4.026 1.00 63.35 ATOM 31 HN ALA 3 5.034 -13.216 -3.384 1.00 38.16 ATOM 32 CA ALA 3 4.086 -12.021 -4.866 1.00 4.22 ATOM 33 HA ALA 3 4.506 -11.639 -5.787 1.00 72.44 ATOM 34 CB ALA 3 3.170 -13.186 -5.218 1.00 12.44 ATOM 35 HB1 ALA 3 2.699 -13.561 -4.319 1.00 0.32 ATOM 36 HB2 ALA 3 3.748 -13.975 -5.675 1.00 55.25 ATOM 37 HB3 ALA 3 2.410 -12.852 -5.910 1.00 42.13 ATOM 38 C ALA 3 3.280 -10.901 -4.187 1.00 31.14 ATOM 39 O ALA 3 2.932 -10.998 -3.010 1.00 30.00 ATOM 40 N SER 4 2.975 -9.848 -4.943 1.00 21.30 ATOM 41 HN SER 4 3.274 -9.831 -5.875 1.00 38.16 ATOM 42 CA SER 4 2.194 -8.712 -4.427 1.00 64.01 ATOM 43 HA SER 4 2.186 -8.773 -3.347 1.00 21.43 ATOM 44 CB SER 4 2.839 -7.383 -4.844 1.00 4.34 ATOM 45 HB1 SER 4 3.853 -7.346 -4.471 1.00 38.16 ATOM 46 HB2 SER 4 2.274 -6.561 -4.428 1.00 63.15 ATOM 47 OG SER 4 2.870 -7.245 -6.258 1.00 35.22 ATOM 48 HG SER 4 3.788 -7.267 -6.561 1.00 23.34 ATOM 49 C SER 4 0.746 -8.757 -4.934 1.00 53.14 ATOM 50 O SER 4 0.454 -9.377 -5.955 1.00 44.43 ATOM 51 N THR 5 -0.159 -8.098 -4.214 1.00 14.45 ATOM 52 HN THR 5 0.128 -7.633 -3.398 1.00 38.16 ATOM 53 CA THR 5 -1.577 -8.051 -4.604 1.00 52.23 ATOM 54 HA THR 5 -1.824 -8.997 -5.069 1.00 53.45 ATOM 55 CB THR 5 -2.502 -7.866 -3.372 1.00 23.43 ATOM 56 HB THR 5 -2.213 -6.958 -2.856 1.00 51.15 ATOM 57 OG1 THR 5 -2.349 -8.976 -2.472 1.00 51.43 ATOM 58 HG1 THR 5 -3.182 -9.130 -2.008 1.00 2.42 ATOM 59 CG2 THR 5 -3.968 -7.746 -3.785 1.00 62.25 ATOM 60 HG21 THR 5 -4.263 -8.629 -4.336 1.00 21.11 ATOM 61 HG22 THR 5 -4.100 -6.874 -4.409 1.00 34.00 ATOM 62 HG23 THR 5 -4.585 -7.651 -2.902 1.00 31.45 ATOM 63 C THR 5 -1.849 -6.922 -5.608 1.00 61.25 ATOM 64 O THR 5 -1.590 -5.750 -5.329 1.00 51.43 ATOM 65 N VAL 6 -2.373 -7.285 -6.777 1.00 3.34 ATOM 66 HN VAL 6 -2.523 -8.237 -6.952 1.00 38.16 ATOM 67 CA VAL 6 -2.734 -6.306 -7.809 1.00 64.04 ATOM 68 HA VAL 6 -2.227 -5.377 -7.581 1.00 2.14 ATOM 69 CB VAL 6 -2.274 -6.781 -9.217 1.00 41.20 ATOM 70 HB VAL 6 -1.202 -6.936 -9.182 1.00 30.22 ATOM 71 CG1 VAL 6 -2.927 -8.111 -9.590 1.00 11.43 ATOM 72 HG11 VAL 6 -2.667 -8.859 -8.855 1.00 60.23 ATOM 73 HG12 VAL 6 -2.576 -8.427 -10.562 1.00 51.52 ATOM 74 HG13 VAL 6 -4.001 -7.992 -9.618 1.00 21.42 ATOM 75 CG2 VAL 6 -2.561 -5.718 -10.280 1.00 33.25 ATOM 76 HG21 VAL 6 -3.622 -5.513 -10.310 1.00 50.11 ATOM 77 HG22 VAL 6 -2.237 -6.077 -11.247 1.00 73.51 ATOM 78 HG23 VAL 6 -2.026 -4.811 -10.038 1.00 21.50 ATOM 79 C VAL 6 -4.254 -6.057 -7.821 1.00 63.32 ATOM 80 O VAL 6 -5.045 -6.976 -7.596 1.00 74.15 ATOM 81 N HIS 7 -4.666 -4.814 -8.069 1.00 24.51 ATOM 82 HN HIS 7 -3.998 -4.106 -8.206 1.00 38.16 ATOM 83 CA HIS 7 -6.093 -4.483 -8.148 1.00 60.24 ATOM 84 HA HIS 7 -6.643 -5.263 -7.636 1.00 73.35 ATOM 85 CB HIS 7 -6.380 -3.144 -7.453 1.00 61.23 ATOM 86 HB1 HIS 7 -5.775 -2.371 -7.908 1.00 38.16 ATOM 87 HB2 HIS 7 -6.122 -3.226 -6.407 1.00 31.43 ATOM 88 CG HIS 7 -7.821 -2.725 -7.545 1.00 52.21 ATOM 89 ND1 HIS 7 -8.299 -1.865 -8.513 1.00 3.44 ATOM 90 HD1 HIS 7 -7.764 -1.439 -9.222 1.00 72.13 ATOM 91 CD2 HIS 7 -8.896 -3.067 -6.793 1.00 73.13 ATOM 92 HD2 HIS 7 -8.897 -3.736 -5.945 1.00 24.54 ATOM 93 CE1 HIS 7 -9.595 -1.698 -8.354 1.00 63.43 ATOM 94 HE1 HIS 7 -10.232 -1.078 -8.970 1.00 1.05 ATOM 95 NE2 HIS 7 -9.983 -2.414 -7.320 1.00 44.22 ATOM 96 HE2 HIS 7 -10.923 -2.607 -7.095 1.00 38.16 ATOM 97 C HIS 7 -6.570 -4.428 -9.607 1.00 51.31 ATOM 98 O HIS 7 -6.361 -3.433 -10.302 1.00 40.44 ATOM 99 N THR 8 -7.196 -5.509 -10.067 1.00 53.30 ATOM 100 HN THR 8 -7.252 -6.305 -9.499 1.00 38.16 ATOM 101 CA THR 8 -7.788 -5.549 -11.410 1.00 22.55 ATOM 102 HA THR 8 -7.025 -5.255 -12.119 1.00 23.02 ATOM 103 CB THR 8 -8.269 -6.978 -11.779 1.00 53.11 ATOM 104 HB THR 8 -9.043 -7.272 -11.083 1.00 42.53 ATOM 105 OG1 THR 8 -7.178 -7.905 -11.673 1.00 31.42 ATOM 106 HG1 THR 8 -6.489 -7.659 -12.298 1.00 61.12 ATOM 107 CG2 THR 8 -8.841 -7.030 -13.194 1.00 72.32 ATOM 108 HG21 THR 8 -9.195 -8.030 -13.406 1.00 24.52 ATOM 109 HG22 THR 8 -8.071 -6.767 -13.904 1.00 32.14 ATOM 110 HG23 THR 8 -9.662 -6.333 -13.279 1.00 74.14 ATOM 111 C THR 8 -8.965 -4.568 -11.512 1.00 72.50 ATOM 112 O THR 8 -10.110 -4.917 -11.224 1.00 0.54 ATOM 113 N SER 9 -8.664 -3.323 -11.879 1.00 40.45 ATOM 114 HN SER 9 -7.727 -3.094 -12.054 1.00 38.16 ATOM 115 CA SER 9 -9.694 -2.282 -12.014 1.00 55.32 ATOM 116 HA SER 9 -10.311 -2.314 -11.126 1.00 72.43 ATOM 117 CB SER 9 -9.046 -0.895 -12.117 1.00 41.43 ATOM 118 HB1 SER 9 -9.816 -0.148 -12.239 1.00 38.16 ATOM 119 HB2 SER 9 -8.384 -0.871 -12.970 1.00 51.33 ATOM 120 OG SER 9 -8.295 -0.591 -10.950 1.00 61.12 ATOM 121 HG SER 9 -7.880 0.275 -11.053 1.00 43.24 ATOM 122 C SER 9 -10.584 -2.534 -13.236 1.00 31.00 ATOM 123 O SER 9 -10.235 -3.316 -14.120 1.00 50.42 ATOM 124 N PHE 10 -11.730 -1.862 -13.291 1.00 35.15 ATOM 125 HN PHE 10 -11.927 -1.193 -12.601 1.00 38.16 ATOM 126 CA PHE 10 -12.711 -2.098 -14.357 1.00 70.01 ATOM 127 HA PHE 10 -12.287 -2.815 -15.048 1.00 12.23 ATOM 128 CB PHE 10 -13.989 -2.695 -13.754 1.00 73.04 ATOM 129 HB1 PHE 10 -14.692 -2.906 -14.547 1.00 38.16 ATOM 130 HB2 PHE 10 -14.428 -1.979 -13.073 1.00 54.34 ATOM 131 CG PHE 10 -13.746 -3.976 -12.992 1.00 44.12 ATOM 132 CD1 PHE 10 -13.555 -5.173 -13.666 1.00 50.00 ATOM 133 HD1 PHE 10 -13.590 -5.183 -14.746 1.00 1.52 ATOM 134 CD2 PHE 10 -13.697 -3.981 -11.604 1.00 31.12 ATOM 135 HD2 PHE 10 -13.847 -3.056 -11.065 1.00 1.52 ATOM 136 CE1 PHE 10 -13.320 -6.346 -12.975 1.00 3.01 ATOM 137 HE1 PHE 10 -13.175 -7.272 -13.514 1.00 14.21 ATOM 138 CE2 PHE 10 -13.464 -5.152 -10.908 1.00 63.21 ATOM 139 HE2 PHE 10 -13.427 -5.140 -9.828 1.00 44.41 ATOM 140 CZ PHE 10 -13.273 -6.336 -11.594 1.00 3.25 ATOM 141 HZ PHE 10 -13.089 -7.253 -11.051 1.00 14.22 ATOM 142 C PHE 10 -13.032 -0.811 -15.133 1.00 53.34 ATOM 143 O PHE 10 -13.209 0.256 -14.546 1.00 0.10 ATOM 144 N ILE 11 -13.099 -0.921 -16.460 1.00 53.43 ATOM 145 HN ILE 11 -12.967 -1.804 -16.867 1.00 38.16 ATOM 146 CA ILE 11 -13.366 0.234 -17.331 1.00 45.21 ATOM 147 HA ILE 11 -13.405 1.122 -16.712 1.00 45.22 ATOM 148 CB ILE 11 -12.233 0.420 -18.376 1.00 21.22 ATOM 149 HB ILE 11 -12.253 -0.428 -19.046 1.00 24.20 ATOM 150 CG1 ILE 11 -10.863 0.473 -17.677 1.00 13.14 ATOM 151 HG11 ILE 11 -10.687 -0.470 -17.182 1.00 38.16 ATOM 152 HG12 ILE 11 -10.869 1.262 -16.937 1.00 10.21 ATOM 153 CG2 ILE 11 -12.466 1.684 -19.207 1.00 31.51 ATOM 154 HG21 ILE 11 -13.420 1.616 -19.710 1.00 53.42 ATOM 155 HG22 ILE 11 -11.680 1.783 -19.942 1.00 11.04 ATOM 156 HG23 ILE 11 -12.461 2.548 -18.558 1.00 30.54 ATOM 157 CD1 ILE 11 -9.700 0.727 -18.618 1.00 15.41 ATOM 158 HD11 ILE 11 -9.663 -0.050 -19.368 1.00 63.40 ATOM 159 HD12 ILE 11 -8.777 0.727 -18.056 1.00 35.11 ATOM 160 HD13 ILE 11 -9.827 1.686 -19.098 1.00 74.22 ATOM 161 C ILE 11 -14.708 0.082 -18.068 1.00 50.10 ATOM 162 O ILE 11 -14.981 -0.958 -18.665 1.00 75.21 ATOM 163 N LEU 12 -15.540 1.122 -18.028 1.00 4.53 ATOM 164 HN LEU 12 -15.271 1.928 -17.543 1.00 38.16 ATOM 165 CA LEU 12 -16.854 1.092 -18.686 1.00 62.35 ATOM 166 HA LEU 12 -17.218 0.074 -18.655 1.00 13.23 ATOM 167 CB LEU 12 -17.843 1.995 -17.930 1.00 35.44 ATOM 168 HB1 LEU 12 -17.443 2.999 -17.922 1.00 38.16 ATOM 169 HB2 LEU 12 -17.906 1.646 -16.908 1.00 53.32 ATOM 170 CG LEU 12 -19.271 2.053 -18.509 1.00 65.42 ATOM 171 HG LEU 12 -19.210 2.291 -19.561 1.00 10.55 ATOM 172 CD1 LEU 12 -19.969 0.702 -18.383 1.00 33.11 ATOM 173 HD11 LEU 12 -20.962 0.769 -18.804 1.00 70.15 ATOM 174 HD12 LEU 12 -20.038 0.425 -17.340 1.00 42.43 ATOM 175 HD13 LEU 12 -19.404 -0.048 -18.918 1.00 55.10 ATOM 176 CD2 LEU 12 -20.085 3.153 -17.830 1.00 53.31 ATOM 177 HD21 LEU 12 -20.188 2.934 -16.776 1.00 12.22 ATOM 178 HD22 LEU 12 -21.064 3.211 -18.283 1.00 23.42 ATOM 179 HD23 LEU 12 -19.581 4.102 -17.951 1.00 53.11 ATOM 180 C LEU 12 -16.768 1.544 -20.157 1.00 1.44 ATOM 181 O LEU 12 -16.155 2.565 -20.470 1.00 45.42 ATOM 182 N LYS 13 -17.380 0.772 -21.055 1.00 73.42 ATOM 183 HN LYS 13 -17.746 -0.088 -20.767 1.00 38.16 ATOM 184 CA LYS 13 -17.519 1.170 -22.464 1.00 43.12 ATOM 185 HA LYS 13 -16.958 2.085 -22.609 1.00 43.43 ATOM 186 CB LYS 13 -16.968 0.094 -23.411 1.00 13.31 ATOM 187 HB1 LYS 13 -17.122 0.422 -24.431 1.00 38.16 ATOM 188 HB2 LYS 13 -17.523 -0.820 -23.254 1.00 3.23 ATOM 189 CG LYS 13 -15.487 -0.214 -23.229 1.00 22.43 ATOM 190 HG1 LYS 13 -15.350 -0.739 -22.294 1.00 38.16 ATOM 191 HG2 LYS 13 -14.935 0.714 -23.204 1.00 10.11 ATOM 192 CD LYS 13 -14.948 -1.079 -24.369 1.00 61.15 ATOM 193 HD1 LYS 13 -13.911 -1.309 -24.170 1.00 38.16 ATOM 194 HD2 LYS 13 -15.022 -0.525 -25.295 1.00 13.35 ATOM 195 CE LYS 13 -15.725 -2.387 -24.513 1.00 73.31 ATOM 196 HE1 LYS 13 -15.304 -2.950 -25.335 1.00 38.16 ATOM 197 HE2 LYS 13 -16.758 -2.159 -24.729 1.00 10.23 ATOM 198 NZ LYS 13 -15.660 -3.210 -23.281 1.00 74.20 ATOM 199 HZ1 LYS 13 -16.122 -2.717 -22.492 1.00 14.11 ATOM 200 HZ2 LYS 13 -14.668 -3.385 -23.026 1.00 41.42 ATOM 201 HZ3 LYS 13 -16.128 -4.124 -23.431 1.00 32.25 ATOM 202 C LYS 13 -18.990 1.431 -22.813 1.00 74.11 ATOM 203 O LYS 13 -19.888 0.784 -22.272 1.00 64.53 ATOM 204 N VAL 14 -19.229 2.366 -23.730 1.00 72.20 ATOM 205 HN VAL 14 -18.471 2.838 -24.133 1.00 38.16 ATOM 206 CA VAL 14 -20.591 2.715 -24.154 1.00 64.24 ATOM 207 HA VAL 14 -21.262 1.947 -23.789 1.00 72.22 ATOM 208 CB VAL 14 -21.039 4.073 -23.550 1.00 1.24 ATOM 209 HB VAL 14 -20.313 4.824 -23.831 1.00 32.52 ATOM 210 CG1 VAL 14 -22.398 4.500 -24.105 1.00 61.15 ATOM 211 HG11 VAL 14 -23.140 3.753 -23.861 1.00 72.40 ATOM 212 HG12 VAL 14 -22.333 4.604 -25.179 1.00 52.20 ATOM 213 HG13 VAL 14 -22.686 5.447 -23.670 1.00 23.31 ATOM 214 CG2 VAL 14 -21.081 4.003 -22.024 1.00 71.25 ATOM 215 HG21 VAL 14 -20.105 3.733 -21.646 1.00 42.44 ATOM 216 HG22 VAL 14 -21.802 3.260 -21.714 1.00 4.03 ATOM 217 HG23 VAL 14 -21.365 4.966 -21.625 1.00 3.51 ATOM 218 C VAL 14 -20.711 2.783 -25.686 1.00 22.42 ATOM 219 O VAL 14 -20.120 3.650 -26.331 1.00 32.33 ATOM 220 N LEU 15 -21.480 1.862 -26.264 1.00 23.14 ATOM 221 HN LEU 15 -21.880 1.164 -25.707 1.00 38.16 ATOM 222 CA LEU 15 -21.757 1.870 -27.704 1.00 22.54 ATOM 223 HA LEU 15 -20.898 2.290 -28.212 1.00 23.23 ATOM 224 CB LEU 15 -21.990 0.428 -28.204 1.00 53.24 ATOM 225 HB1 LEU 15 -23.000 0.140 -27.948 1.00 38.16 ATOM 226 HB2 LEU 15 -21.309 -0.221 -27.671 1.00 30.35 ATOM 227 CG LEU 15 -21.789 0.184 -29.715 1.00 63.12 ATOM 228 HG LEU 15 -20.797 0.514 -29.993 1.00 25.33 ATOM 229 CD1 LEU 15 -21.887 -1.307 -30.032 1.00 13.31 ATOM 230 HD11 LEU 15 -21.128 -1.843 -29.480 1.00 11.42 ATOM 231 HD12 LEU 15 -21.736 -1.463 -31.090 1.00 42.43 ATOM 232 HD13 LEU 15 -22.864 -1.674 -29.750 1.00 63.24 ATOM 233 CD2 LEU 15 -22.797 0.969 -30.551 1.00 32.30 ATOM 234 HD21 LEU 15 -22.657 2.028 -30.386 1.00 52.04 ATOM 235 HD22 LEU 15 -23.802 0.691 -30.266 1.00 63.34 ATOM 236 HD23 LEU 15 -22.646 0.748 -31.598 1.00 51.22 ATOM 237 C LEU 15 -22.986 2.753 -27.980 1.00 34.11 ATOM 238 O LEU 15 -24.112 2.393 -27.626 1.00 3.53 ATOM 239 N TRP 16 -22.769 3.907 -28.603 1.00 14.23 ATOM 240 HN TRP 16 -21.866 4.108 -28.931 1.00 38.16 ATOM 241 CA TRP 16 -23.846 4.885 -28.812 1.00 51.02 ATOM 242 HA TRP 16 -24.553 4.775 -28.000 1.00 4.21 ATOM 243 CB TRP 16 -23.273 6.310 -28.778 1.00 0.52 ATOM 244 HB1 TRP 16 -22.779 6.517 -29.717 1.00 38.16 ATOM 245 HB2 TRP 16 -22.551 6.382 -27.977 1.00 13.12 ATOM 246 CG TRP 16 -24.315 7.371 -28.556 1.00 24.33 ATOM 247 CD1 TRP 16 -25.064 8.008 -29.504 1.00 3.04 ATOM 248 HD1 TRP 16 -24.994 7.817 -30.565 1.00 14.25 ATOM 249 CD2 TRP 16 -24.718 7.917 -27.295 1.00 44.22 ATOM 250 NE1 TRP 16 -25.908 8.913 -28.908 1.00 41.44 ATOM 251 HE1 TRP 16 -26.544 9.490 -29.376 1.00 75.54 ATOM 252 CE2 TRP 16 -25.713 8.877 -27.553 1.00 24.13 ATOM 253 CE3 TRP 16 -24.332 7.685 -25.973 1.00 71.24 ATOM 254 HE3 TRP 16 -23.571 6.956 -25.734 1.00 54.52 ATOM 255 CZ2 TRP 16 -26.329 9.602 -26.538 1.00 11.31 ATOM 256 HZ2 TRP 16 -27.093 10.338 -26.746 1.00 21.52 ATOM 257 CZ3 TRP 16 -24.942 8.406 -24.964 1.00 60.13 ATOM 258 HZ3 TRP 16 -24.655 8.239 -23.935 1.00 64.53 ATOM 259 CH2 TRP 16 -25.931 9.356 -25.251 1.00 53.43 ATOM 260 HH2 TRP 16 -26.383 9.898 -24.432 1.00 75.04 ATOM 261 C TRP 16 -24.585 4.644 -30.143 1.00 60.24 ATOM 262 O TRP 16 -23.981 4.676 -31.219 1.00 23.24 ATOM 263 N LEU 17 -25.894 4.402 -30.062 1.00 62.14 ATOM 264 HN LEU 17 -26.317 4.363 -29.177 1.00 38.16 ATOM 265 CA LEU 17 -26.727 4.203 -31.257 1.00 54.33 ATOM 266 HA LEU 17 -26.068 4.066 -32.104 1.00 71.52 ATOM 267 CB LEU 17 -27.593 2.945 -31.096 1.00 61.01 ATOM 268 HB1 LEU 17 -28.266 2.884 -31.939 1.00 38.16 ATOM 269 HB2 LEU 17 -28.182 3.055 -30.195 1.00 44.13 ATOM 270 CG LEU 17 -26.814 1.623 -31.004 1.00 2.21 ATOM 271 HG LEU 17 -26.133 1.675 -30.167 1.00 53.33 ATOM 272 CD1 LEU 17 -27.760 0.450 -30.763 1.00 31.44 ATOM 273 HD11 LEU 17 -28.443 0.356 -31.594 1.00 72.55 ATOM 274 HD12 LEU 17 -28.322 0.621 -29.855 1.00 61.24 ATOM 275 HD13 LEU 17 -27.188 -0.462 -30.662 1.00 71.13 ATOM 276 CD2 LEU 17 -25.988 1.400 -32.270 1.00 33.42 ATOM 277 HD21 LEU 17 -26.641 1.379 -33.131 1.00 1.01 ATOM 278 HD22 LEU 17 -25.461 0.459 -32.198 1.00 20.32 ATOM 279 HD23 LEU 17 -25.272 2.202 -32.381 1.00 2.55 ATOM 280 C LEU 17 -27.617 5.426 -31.527 1.00 1.21 ATOM 281 O LEU 17 -27.568 6.421 -30.802 1.00 43.30 ATOM 282 N ASP 18 -28.437 5.341 -32.573 1.00 4.41 ATOM 283 HN ASP 18 -28.453 4.513 -33.101 1.00 38.16 ATOM 284 CA ASP 18 -29.310 6.452 -32.972 1.00 64.22 ATOM 285 HA ASP 18 -28.698 7.342 -33.051 1.00 23.54 ATOM 286 CB ASP 18 -29.921 6.152 -34.342 1.00 23.14 ATOM 287 HB1 ASP 18 -30.436 7.030 -34.704 1.00 38.16 ATOM 288 HB2 ASP 18 -30.628 5.336 -34.249 1.00 32.44 ATOM 289 CG ASP 18 -28.856 5.761 -35.348 1.00 11.43 ATOM 290 OD1 ASP 18 -28.367 6.638 -36.090 1.00 0.51 ATOM 291 OD2 ASP 18 -28.482 4.572 -35.386 1.00 75.50 ATOM 292 C ASP 18 -30.416 6.709 -31.929 1.00 32.43 ATOM 293 O ASP 18 -30.549 7.820 -31.409 1.00 73.41 ATOM 294 N GLN 19 -31.202 5.676 -31.622 1.00 63.15 ATOM 295 HN GLN 19 -31.081 4.829 -32.100 1.00 38.16 ATOM 296 CA GLN 19 -32.250 5.779 -30.594 1.00 22.22 ATOM 297 HA GLN 19 -32.227 6.785 -30.200 1.00 42.44 ATOM 298 CB GLN 19 -33.640 5.522 -31.202 1.00 21.35 ATOM 299 HB1 GLN 19 -33.815 6.245 -31.987 1.00 38.16 ATOM 300 HB2 GLN 19 -34.387 5.659 -30.430 1.00 25.12 ATOM 301 CG GLN 19 -33.813 4.124 -31.792 1.00 73.25 ATOM 302 HG1 GLN 19 -33.465 3.397 -31.071 1.00 38.16 ATOM 303 HG2 GLN 19 -33.217 4.051 -32.689 1.00 33.41 ATOM 304 CD GLN 19 -35.258 3.803 -32.142 1.00 71.03 ATOM 305 OE1 GLN 19 -36.186 4.289 -31.504 1.00 74.33 ATOM 306 NE2 GLN 19 -35.461 2.980 -33.152 1.00 13.34 ATOM 307 HE21 GLN 19 -34.685 2.622 -33.624 1.00 23.25 ATOM 308 HE22 GLN 19 -36.388 2.760 -33.382 1.00 63.01 ATOM 309 C GLN 19 -32.005 4.803 -29.430 1.00 33.42 ATOM 310 O GLN 19 -32.888 4.587 -28.599 1.00 33.03 ATOM 311 N ASN 20 -30.797 4.230 -29.366 1.00 40.30 ATOM 312 HN ASN 20 -30.121 4.482 -30.028 1.00 38.16 ATOM 313 CA ASN 20 -30.440 3.255 -28.318 1.00 54.22 ATOM 314 HA ASN 20 -31.139 3.371 -27.502 1.00 74.01 ATOM 315 CB ASN 20 -30.538 1.820 -28.859 1.00 24.12 ATOM 316 HB1 ASN 20 -30.272 1.128 -28.071 1.00 38.16 ATOM 317 HB2 ASN 20 -29.843 1.703 -29.678 1.00 34.01 ATOM 318 CG ASN 20 -31.925 1.464 -29.359 1.00 42.23 ATOM 319 OD1 ASN 20 -32.767 0.984 -28.611 1.00 61.03 ATOM 320 ND2 ASN 20 -32.175 1.691 -30.633 1.00 1.11 ATOM 321 HD21 ASN 20 -31.462 2.073 -31.184 1.00 52.52 ATOM 322 HD22 ASN 20 -33.065 1.469 -30.971 1.00 43.22 ATOM 323 C ASN 20 -29.016 3.498 -27.782 1.00 43.54 ATOM 324 O ASN 20 -28.278 4.339 -28.300 1.00 35.31 ATOM 325 N VAL 21 -28.634 2.743 -26.752 1.00 14.21 ATOM 326 HN VAL 21 -29.275 2.105 -26.369 1.00 38.16 ATOM 327 CA VAL 21 -27.294 2.844 -26.156 1.00 3.55 ATOM 328 HA VAL 21 -26.586 3.018 -26.956 1.00 54.40 ATOM 329 CB VAL 21 -27.217 4.042 -25.169 1.00 30.04 ATOM 330 HB VAL 21 -27.361 4.955 -25.735 1.00 54.41 ATOM 331 CG1 VAL 21 -28.322 3.956 -24.128 1.00 32.42 ATOM 332 HG11 VAL 21 -28.199 3.056 -23.545 1.00 41.53 ATOM 333 HG12 VAL 21 -29.283 3.937 -24.624 1.00 63.44 ATOM 334 HG13 VAL 21 -28.272 4.816 -23.476 1.00 51.03 ATOM 335 CG2 VAL 21 -25.856 4.118 -24.486 1.00 41.43 ATOM 336 HG21 VAL 21 -25.085 4.274 -25.226 1.00 20.34 ATOM 337 HG22 VAL 21 -25.666 3.195 -23.956 1.00 73.21 ATOM 338 HG23 VAL 21 -25.853 4.940 -23.784 1.00 44.11 ATOM 339 C VAL 21 -26.910 1.538 -25.430 1.00 11.23 ATOM 340 O VAL 21 -27.724 0.945 -24.726 1.00 51.23 ATOM 341 N ALA 22 -25.670 1.088 -25.613 1.00 65.10 ATOM 342 HN ALA 22 -25.052 1.609 -26.170 1.00 38.16 ATOM 343 CA ALA 22 -25.200 -0.167 -25.006 1.00 33.44 ATOM 344 HA ALA 22 -26.007 -0.576 -24.413 1.00 51.14 ATOM 345 CB ALA 22 -24.866 -1.176 -26.099 1.00 63.41 ATOM 346 HB1 ALA 22 -24.043 -0.806 -26.693 1.00 31.33 ATOM 347 HB2 ALA 22 -25.729 -1.322 -26.732 1.00 42.52 ATOM 348 HB3 ALA 22 -24.588 -2.119 -25.649 1.00 43.24 ATOM 349 C ALA 22 -23.983 0.052 -24.094 1.00 50.44 ATOM 350 O ALA 22 -23.155 0.925 -24.346 1.00 21.44 ATOM 351 N ILE 23 -23.876 -0.755 -23.036 1.00 4.42 ATOM 352 HN ILE 23 -24.567 -1.437 -22.890 1.00 38.16 ATOM 353 CA ILE 23 -22.759 -0.648 -22.080 1.00 33.10 ATOM 354 HA ILE 23 -22.063 0.086 -22.469 1.00 73.14 ATOM 355 CB ILE 23 -23.250 -0.154 -20.691 1.00 54.25 ATOM 356 HB ILE 23 -22.412 -0.193 -20.009 1.00 54.23 ATOM 357 CG1 ILE 23 -24.374 -1.061 -20.153 1.00 33.41 ATOM 358 HG11 ILE 23 -24.004 -2.074 -20.069 1.00 38.16 ATOM 359 HG12 ILE 23 -25.205 -1.044 -20.843 1.00 61.24 ATOM 360 CG2 ILE 23 -23.718 1.304 -20.767 1.00 63.14 ATOM 361 HG21 ILE 23 -22.913 1.923 -21.136 1.00 75.14 ATOM 362 HG22 ILE 23 -24.007 1.645 -19.783 1.00 75.52 ATOM 363 HG23 ILE 23 -24.565 1.379 -21.436 1.00 34.30 ATOM 364 CD1 ILE 23 -24.901 -0.645 -18.793 1.00 1.32 ATOM 365 HD11 ILE 23 -25.652 -1.350 -18.467 1.00 13.14 ATOM 366 HD12 ILE 23 -25.340 0.340 -18.862 1.00 72.42 ATOM 367 HD13 ILE 23 -24.089 -0.629 -18.081 1.00 63.21 ATOM 368 C ILE 23 -22.011 -1.989 -21.918 1.00 73.23 ATOM 369 O ILE 23 -22.619 -3.059 -21.975 1.00 25.15 ATOM 370 N ALA 24 -20.685 -1.919 -21.724 1.00 61.11 ATOM 371 HN ALA 24 -20.262 -1.034 -21.680 1.00 38.16 ATOM 372 CA ALA 24 -19.840 -3.122 -21.578 1.00 25.32 ATOM 373 HA ALA 24 -20.401 -3.862 -21.023 1.00 71.21 ATOM 374 CB ALA 24 -19.516 -3.704 -22.949 1.00 31.42 ATOM 375 HB1 ALA 24 -18.932 -4.605 -22.832 1.00 14.43 ATOM 376 HB2 ALA 24 -18.954 -2.984 -23.526 1.00 34.32 ATOM 377 HB3 ALA 24 -20.436 -3.938 -23.466 1.00 52.33 ATOM 378 C ALA 24 -18.532 -2.817 -20.821 1.00 12.32 ATOM 379 O ALA 24 -17.784 -1.920 -21.202 1.00 4.34 ATOM 380 N VAL 25 -18.239 -3.590 -19.776 1.00 23.05 ATOM 381 HN VAL 25 -18.813 -4.362 -19.580 1.00 38.16 ATOM 382 CA VAL 25 -17.072 -3.333 -18.915 1.00 64.03 ATOM 383 HA VAL 25 -16.757 -2.310 -19.081 1.00 4.13 ATOM 384 CB VAL 25 -17.457 -3.475 -17.416 1.00 21.34 ATOM 385 HB VAL 25 -17.834 -4.477 -17.257 1.00 40.54 ATOM 386 CG1 VAL 25 -16.246 -3.276 -16.508 1.00 30.42 ATOM 387 HG11 VAL 25 -15.506 -4.034 -16.721 1.00 51.32 ATOM 388 HG12 VAL 25 -16.552 -3.353 -15.473 1.00 44.54 ATOM 389 HG13 VAL 25 -15.819 -2.299 -16.684 1.00 72.23 ATOM 390 CG2 VAL 25 -18.566 -2.488 -17.049 1.00 70.13 ATOM 391 HG21 VAL 25 -19.440 -2.684 -17.655 1.00 10.42 ATOM 392 HG22 VAL 25 -18.225 -1.478 -17.227 1.00 42.24 ATOM 393 HG23 VAL 25 -18.822 -2.602 -16.005 1.00 62.35 ATOM 394 C VAL 25 -15.885 -4.270 -19.229 1.00 44.32 ATOM 395 O VAL 25 -16.073 -5.433 -19.592 1.00 63.54 ATOM 396 N ASP 26 -14.662 -3.741 -19.100 1.00 23.23 ATOM 397 HN ASP 26 -14.581 -2.784 -18.906 1.00 38.16 ATOM 398 CA ASP 26 -13.437 -4.540 -19.244 1.00 70.02 ATOM 399 HA ASP 26 -13.715 -5.534 -19.564 1.00 11.13 ATOM 400 CB ASP 26 -12.501 -3.922 -20.287 1.00 3.44 ATOM 401 HB1 ASP 26 -11.665 -4.590 -20.448 1.00 38.16 ATOM 402 HB2 ASP 26 -12.129 -2.978 -19.914 1.00 43.23 ATOM 403 CG ASP 26 -13.182 -3.682 -21.615 1.00 71.34 ATOM 404 OD1 ASP 26 -13.353 -2.510 -21.998 1.00 31.15 ATOM 405 OD2 ASP 26 -13.560 -4.662 -22.287 1.00 64.25 ATOM 406 C ASP 26 -12.680 -4.636 -17.914 1.00 42.01 ATOM 407 O ASP 26 -12.777 -3.748 -17.064 1.00 73.22 ATOM 408 N GLN 27 -11.916 -5.712 -17.749 1.00 45.12 ATOM 409 HN GLN 27 -11.942 -6.419 -18.427 1.00 38.16 ATOM 410 CA GLN 27 -11.040 -5.875 -16.583 1.00 71.40 ATOM 411 HA GLN 27 -11.372 -5.187 -15.817 1.00 4.11 ATOM 412 CB GLN 27 -11.136 -7.312 -16.037 1.00 44.33 ATOM 413 HB1 GLN 27 -12.153 -7.491 -15.715 1.00 38.16 ATOM 414 HB2 GLN 27 -10.479 -7.404 -15.183 1.00 74.13 ATOM 415 CG GLN 27 -10.758 -8.391 -17.046 1.00 33.11 ATOM 416 HG1 GLN 27 -9.774 -8.172 -17.439 1.00 38.16 ATOM 417 HG2 GLN 27 -11.475 -8.375 -17.854 1.00 42.32 ATOM 418 CD GLN 27 -10.742 -9.788 -16.443 1.00 4.34 ATOM 419 OE1 GLN 27 -11.740 -10.498 -16.450 1.00 1.54 ATOM 420 NE2 GLN 27 -9.607 -10.191 -15.909 1.00 14.44 ATOM 421 HE21 GLN 27 -8.844 -9.582 -15.926 1.00 44.43 ATOM 422 HE22 GLN 27 -9.577 -11.087 -15.516 1.00 23.34 ATOM 423 C GLN 27 -9.581 -5.537 -16.950 1.00 43.34 ATOM 424 O GLN 27 -9.058 -6.013 -17.961 1.00 50.10 ATOM 425 N ILE 28 -8.931 -4.705 -16.139 1.00 4.34 ATOM 426 HN ILE 28 -9.399 -4.335 -15.362 1.00 38.16 ATOM 427 CA ILE 28 -7.531 -4.330 -16.375 1.00 1.30 ATOM 428 HA ILE 28 -7.405 -4.199 -17.444 1.00 32.45 ATOM 429 CB ILE 28 -7.164 -2.988 -15.683 1.00 54.21 ATOM 430 HB ILE 28 -7.367 -3.086 -14.626 1.00 4.15 ATOM 431 CG1 ILE 28 -8.026 -1.847 -16.258 1.00 51.13 ATOM 432 HG11 ILE 28 -9.064 -2.043 -16.035 1.00 38.16 ATOM 433 HG12 ILE 28 -7.897 -1.813 -17.330 1.00 54.41 ATOM 434 CG2 ILE 28 -5.672 -2.681 -15.854 1.00 63.00 ATOM 435 HG21 ILE 28 -5.432 -1.754 -15.351 1.00 21.13 ATOM 436 HG22 ILE 28 -5.441 -2.588 -16.905 1.00 13.11 ATOM 437 HG23 ILE 28 -5.087 -3.483 -15.427 1.00 34.14 ATOM 438 CD1 ILE 28 -7.688 -0.473 -15.711 1.00 20.00 ATOM 439 HD11 ILE 28 -8.359 0.259 -16.141 1.00 51.11 ATOM 440 HD12 ILE 28 -6.671 -0.222 -15.971 1.00 32.31 ATOM 441 HD13 ILE 28 -7.797 -0.472 -14.637 1.00 25.01 ATOM 442 C ILE 28 -6.577 -5.441 -15.908 1.00 52.20 ATOM 443 O ILE 28 -6.391 -5.666 -14.710 1.00 71.53 ATOM 444 N VAL 29 -5.983 -6.131 -16.873 1.00 33.30 ATOM 445 HN VAL 29 -6.129 -5.858 -17.802 1.00 38.16 ATOM 446 CA VAL 29 -5.105 -7.270 -16.602 1.00 42.02 ATOM 447 HA VAL 29 -5.351 -7.664 -15.624 1.00 55.23 ATOM 448 CB VAL 29 -5.344 -8.386 -17.657 1.00 54.43 ATOM 449 HB VAL 29 -4.907 -8.062 -18.593 1.00 13.33 ATOM 450 CG1 VAL 29 -4.667 -9.689 -17.247 1.00 24.35 ATOM 451 HG11 VAL 29 -5.077 -10.030 -16.307 1.00 1.51 ATOM 452 HG12 VAL 29 -3.606 -9.522 -17.137 1.00 24.12 ATOM 453 HG13 VAL 29 -4.835 -10.439 -18.007 1.00 15.11 ATOM 454 CG2 VAL 29 -6.842 -8.602 -17.887 1.00 23.31 ATOM 455 HG21 VAL 29 -6.988 -9.353 -18.652 1.00 33.42 ATOM 456 HG22 VAL 29 -7.296 -7.674 -18.207 1.00 71.31 ATOM 457 HG23 VAL 29 -7.307 -8.930 -16.969 1.00 51.13 ATOM 458 C VAL 29 -3.622 -6.836 -16.614 1.00 54.25 ATOM 459 O VAL 29 -3.286 -5.775 -17.137 1.00 22.32 ATOM 460 N GLY 30 -2.739 -7.667 -16.050 1.00 5.52 ATOM 461 HN GLY 30 -3.056 -8.520 -15.684 1.00 38.16 ATOM 462 CA GLY 30 -1.315 -7.324 -15.939 1.00 23.30 ATOM 463 HA1 GLY 30 -0.790 -8.183 -15.547 1.00 38.16 ATOM 464 HA2 GLY 30 -1.214 -6.514 -15.232 1.00 14.44 ATOM 465 C GLY 30 -0.639 -6.899 -17.254 1.00 54.32 ATOM 466 O GLY 30 0.418 -6.262 -17.228 1.00 14.32 ATOM 467 N LYS 31 -1.228 -7.261 -18.396 1.00 61.34 ATOM 468 HN LYS 31 -2.045 -7.800 -18.356 1.00 38.16 ATOM 469 CA LYS 31 -0.679 -6.888 -19.714 1.00 71.23 ATOM 470 HA LYS 31 0.228 -6.320 -19.547 1.00 3.34 ATOM 471 CB LYS 31 -0.324 -8.144 -20.525 1.00 34.44 ATOM 472 HB1 LYS 31 -0.150 -7.858 -21.554 1.00 38.16 ATOM 473 HB2 LYS 31 -1.161 -8.829 -20.490 1.00 54.50 ATOM 474 CG LYS 31 0.915 -8.878 -20.021 1.00 31.15 ATOM 475 HG1 LYS 31 0.725 -9.242 -19.019 1.00 38.16 ATOM 476 HG2 LYS 31 1.747 -8.188 -20.002 1.00 24.20 ATOM 477 CD LYS 31 1.276 -10.060 -20.921 1.00 74.33 ATOM 478 HD1 LYS 31 2.232 -10.459 -20.609 1.00 38.16 ATOM 479 HD2 LYS 31 1.349 -9.713 -21.942 1.00 1.03 ATOM 480 CE LYS 31 0.234 -11.168 -20.854 1.00 72.20 ATOM 481 HE1 LYS 31 0.509 -11.949 -21.550 1.00 38.16 ATOM 482 HE2 LYS 31 -0.727 -10.761 -21.133 1.00 42.31 ATOM 483 NZ LYS 31 0.137 -11.747 -19.491 1.00 40.20 ATOM 484 HZ1 LYS 31 -0.578 -12.498 -19.471 1.00 62.44 ATOM 485 HZ2 LYS 31 -0.131 -11.013 -18.808 1.00 74.13 ATOM 486 HZ3 LYS 31 1.055 -12.150 -19.205 1.00 23.05 ATOM 487 C LYS 31 -1.649 -6.012 -20.529 1.00 70.54 ATOM 488 O LYS 31 -1.508 -5.896 -21.749 1.00 21.25 ATOM 489 N GLY 32 -2.624 -5.399 -19.862 1.00 45.34 ATOM 490 HN GLY 32 -2.708 -5.544 -18.896 1.00 38.16 ATOM 491 CA GLY 32 -3.564 -4.511 -20.549 1.00 33.44 ATOM 492 HA1 GLY 32 -3.559 -4.744 -21.606 1.00 38.16 ATOM 493 HA2 GLY 32 -3.232 -3.492 -20.421 1.00 45.11 ATOM 494 C GLY 32 -4.995 -4.623 -20.029 1.00 40.12 ATOM 495 O GLY 32 -5.263 -4.351 -18.860 1.00 14.32 ATOM 496 N THR 33 -5.924 -5.004 -20.904 1.00 2.02 ATOM 497 HN THR 33 -5.661 -5.160 -21.836 1.00 38.16 ATOM 498 CA THR 33 -7.331 -5.198 -20.519 1.00 31.54 ATOM 499 HA THR 33 -7.375 -5.287 -19.441 1.00 24.23 ATOM 500 CB THR 33 -8.234 -4.006 -20.945 1.00 50.34 ATOM 501 HB THR 33 -9.255 -4.235 -20.669 1.00 13.41 ATOM 502 OG1 THR 33 -8.177 -3.817 -22.368 1.00 35.52 ATOM 503 HG1 THR 33 -8.956 -3.313 -22.654 1.00 51.21 ATOM 504 CG2 THR 33 -7.826 -2.713 -20.242 1.00 54.32 ATOM 505 HG21 THR 33 -7.922 -2.837 -19.173 1.00 74.43 ATOM 506 HG22 THR 33 -8.469 -1.908 -20.568 1.00 24.24 ATOM 507 HG23 THR 33 -6.801 -2.476 -20.486 1.00 1.14 ATOM 508 C THR 33 -7.904 -6.475 -21.138 1.00 35.41 ATOM 509 O THR 33 -7.298 -7.084 -22.018 1.00 3.53 ATOM 510 N SER 34 -9.069 -6.888 -20.657 1.00 10.21 ATOM 511 HN SER 34 -9.465 -6.412 -19.895 1.00 38.16 ATOM 512 CA SER 34 -9.778 -8.043 -21.216 1.00 23.33 ATOM 513 HA SER 34 -9.514 -8.121 -22.261 1.00 74.21 ATOM 514 CB SER 34 -9.357 -9.334 -20.496 1.00 33.13 ATOM 515 HB1 SER 34 -9.948 -10.159 -20.862 1.00 38.16 ATOM 516 HB2 SER 34 -9.521 -9.220 -19.435 1.00 13.24 ATOM 517 OG SER 34 -7.981 -9.629 -20.713 1.00 24.25 ATOM 518 HG SER 34 -7.564 -8.897 -21.185 1.00 13.01 ATOM 519 C SER 34 -11.294 -7.845 -21.100 1.00 62.14 ATOM 520 O SER 34 -11.788 -7.456 -20.041 1.00 64.15 ATOM 521 N PRO 35 -12.050 -8.087 -22.190 1.00 1.24 ATOM 522 CA PRO 35 -13.518 -7.932 -22.193 1.00 65.21 ATOM 523 HA PRO 35 -13.798 -6.891 -22.104 1.00 70.43 ATOM 524 CB PRO 35 -13.932 -8.455 -23.578 1.00 53.22 ATOM 525 HB1 PRO 35 -14.761 -7.873 -23.956 1.00 38.16 ATOM 526 HB2 PRO 35 -14.221 -9.497 -23.506 1.00 13.12 ATOM 527 CG PRO 35 -12.713 -8.284 -24.425 1.00 1.34 ATOM 528 HG1 PRO 35 -12.678 -7.282 -24.826 1.00 38.16 ATOM 529 HG2 PRO 35 -12.716 -9.010 -25.227 1.00 55.13 ATOM 530 CD PRO 35 -11.542 -8.520 -23.507 1.00 13.33 ATOM 531 HD1 PRO 35 -10.695 -7.920 -23.810 1.00 38.16 ATOM 532 HD2 PRO 35 -11.275 -9.568 -23.492 1.00 15.20 ATOM 533 C PRO 35 -14.206 -8.735 -21.075 1.00 22.22 ATOM 534 O PRO 35 -14.235 -9.970 -21.105 1.00 53.55 ATOM 535 N LEU 36 -14.747 -8.028 -20.083 1.00 24.42 ATOM 536 HN LEU 36 -14.696 -7.048 -20.113 1.00 38.16 ATOM 537 CA LEU 36 -15.414 -8.672 -18.948 1.00 4.12 ATOM 538 HA LEU 36 -14.900 -9.601 -18.742 1.00 31.03 ATOM 539 CB LEU 36 -15.328 -7.772 -17.707 1.00 4.31 ATOM 540 HB1 LEU 36 -15.932 -6.893 -17.882 1.00 38.16 ATOM 541 HB2 LEU 36 -14.299 -7.460 -17.586 1.00 21.30 ATOM 542 CG LEU 36 -15.792 -8.419 -16.392 1.00 53.21 ATOM 543 HG LEU 36 -16.776 -8.844 -16.538 1.00 24.45 ATOM 544 CD1 LEU 36 -14.853 -9.556 -15.992 1.00 64.44 ATOM 545 HD11 LEU 36 -13.848 -9.173 -15.875 1.00 73.25 ATOM 546 HD12 LEU 36 -14.860 -10.317 -16.759 1.00 30.03 ATOM 547 HD13 LEU 36 -15.183 -9.986 -15.058 1.00 42.43 ATOM 548 CD2 LEU 36 -15.892 -7.374 -15.281 1.00 70.23 ATOM 549 HD21 LEU 36 -14.925 -6.917 -15.125 1.00 32.14 ATOM 550 HD22 LEU 36 -16.218 -7.847 -14.366 1.00 43.23 ATOM 551 HD23 LEU 36 -16.607 -6.615 -15.565 1.00 34.32 ATOM 552 C LEU 36 -16.883 -8.981 -19.276 1.00 61.45 ATOM 553 O LEU 36 -17.353 -10.105 -19.090 1.00 3.31 ATOM 554 N THR 37 -17.604 -7.970 -19.761 1.00 43.44 ATOM 555 HN THR 37 -17.179 -7.090 -19.864 1.00 38.16 ATOM 556 CA THR 37 -19.015 -8.129 -20.152 1.00 15.53 ATOM 557 HA THR 37 -19.255 -9.185 -20.132 1.00 34.33 ATOM 558 CB THR 37 -19.974 -7.391 -19.184 1.00 13.22 ATOM 559 HB THR 37 -20.991 -7.658 -19.439 1.00 43.24 ATOM 560 OG1 THR 37 -19.821 -5.967 -19.315 1.00 14.03 ATOM 561 HG1 THR 37 -20.690 -5.568 -19.436 1.00 50.11 ATOM 562 CG2 THR 37 -19.718 -7.794 -17.734 1.00 53.52 ATOM 563 HG21 THR 37 -18.693 -7.570 -17.472 1.00 75.54 ATOM 564 HG22 THR 37 -19.896 -8.854 -17.616 1.00 33.34 ATOM 565 HG23 THR 37 -20.382 -7.244 -17.084 1.00 50.51 ATOM 566 C THR 37 -19.254 -7.593 -21.568 1.00 21.23 ATOM 567 O THR 37 -18.534 -6.709 -22.036 1.00 11.23 ATOM 568 N SER 38 -20.267 -8.123 -22.252 1.00 14.00 ATOM 569 HN SER 38 -20.807 -8.831 -21.839 1.00 38.16 ATOM 570 CA SER 38 -20.593 -7.664 -23.612 1.00 40.04 ATOM 571 HA SER 38 -19.669 -7.350 -24.082 1.00 40.12 ATOM 572 CB SER 38 -21.205 -8.797 -24.444 1.00 14.53 ATOM 573 HB1 SER 38 -22.148 -9.095 -24.008 1.00 38.16 ATOM 574 HB2 SER 38 -20.532 -9.642 -24.452 1.00 22.04 ATOM 575 OG SER 38 -21.433 -8.384 -25.788 1.00 11.43 ATOM 576 HG SER 38 -20.832 -8.875 -26.374 1.00 23.32 ATOM 577 C SER 38 -21.556 -6.471 -23.585 1.00 31.04 ATOM 578 O SER 38 -22.135 -6.148 -22.548 1.00 54.05 ATOM 579 N TYR 39 -21.724 -5.818 -24.735 1.00 3.45 ATOM 580 HN TYR 39 -21.248 -6.132 -25.529 1.00 38.16 ATOM 581 CA TYR 39 -22.606 -4.648 -24.841 1.00 43.31 ATOM 582 HA TYR 39 -22.335 -3.964 -24.048 1.00 14.51 ATOM 583 CB TYR 39 -22.406 -3.936 -26.189 1.00 61.50 ATOM 584 HB1 TYR 39 -23.235 -3.260 -26.356 1.00 38.16 ATOM 585 HB2 TYR 39 -22.392 -4.674 -26.977 1.00 13.53 ATOM 586 CG TYR 39 -21.126 -3.130 -26.288 1.00 42.32 ATOM 587 CD1 TYR 39 -20.029 -3.611 -26.992 1.00 23.00 ATOM 588 HD1 TYR 39 -20.092 -4.581 -27.461 1.00 23.43 ATOM 589 CD2 TYR 39 -21.023 -1.879 -25.689 1.00 12.13 ATOM 590 HD2 TYR 39 -21.866 -1.490 -25.133 1.00 1.53 ATOM 591 CE1 TYR 39 -18.869 -2.870 -27.097 1.00 41.52 ATOM 592 HE1 TYR 39 -18.028 -3.263 -27.648 1.00 31.20 ATOM 593 CE2 TYR 39 -19.864 -1.134 -25.788 1.00 10.15 ATOM 594 HE2 TYR 39 -19.804 -0.167 -25.314 1.00 3.33 ATOM 595 CZ TYR 39 -18.791 -1.633 -26.495 1.00 30.51 ATOM 596 OH TYR 39 -17.638 -0.891 -26.608 1.00 23.34 ATOM 597 HH TYR 39 -17.346 -0.901 -27.528 1.00 22.13 ATOM 598 C TYR 39 -24.087 -5.021 -24.676 1.00 71.02 ATOM 599 O TYR 39 -24.680 -5.658 -25.549 1.00 62.13 ATOM 600 N PHE 40 -24.673 -4.624 -23.550 1.00 51.42 ATOM 601 HN PHE 40 -24.122 -4.207 -22.852 1.00 38.16 ATOM 602 CA PHE 40 -26.110 -4.802 -23.315 1.00 22.14 ATOM 603 HA PHE 40 -26.432 -5.688 -23.847 1.00 45.35 ATOM 604 CB PHE 40 -26.383 -4.990 -21.816 1.00 25.44 ATOM 605 HB1 PHE 40 -27.425 -5.243 -21.674 1.00 38.16 ATOM 606 HB2 PHE 40 -26.173 -4.063 -21.299 1.00 33.14 ATOM 607 CG PHE 40 -25.552 -6.075 -21.181 1.00 63.13 ATOM 608 CD1 PHE 40 -25.777 -7.409 -21.487 1.00 43.41 ATOM 609 HD1 PHE 40 -26.557 -7.668 -22.191 1.00 41.02 ATOM 610 CD2 PHE 40 -24.547 -5.760 -20.277 1.00 32.52 ATOM 611 HD2 PHE 40 -24.361 -4.725 -20.031 1.00 14.45 ATOM 612 CE1 PHE 40 -25.016 -8.406 -20.906 1.00 22.41 ATOM 613 HE1 PHE 40 -25.202 -9.441 -21.154 1.00 71.41 ATOM 614 CE2 PHE 40 -23.784 -6.752 -19.694 1.00 63.53 ATOM 615 HE2 PHE 40 -23.005 -6.492 -18.991 1.00 53.20 ATOM 616 CZ PHE 40 -24.019 -8.077 -20.008 1.00 54.14 ATOM 617 HZ PHE 40 -23.423 -8.854 -19.551 1.00 3.45 ATOM 618 C PHE 40 -26.887 -3.586 -23.849 1.00 23.54 ATOM 619 O PHE 40 -26.702 -2.466 -23.372 1.00 24.54 ATOM 620 N PHE 41 -27.754 -3.813 -24.838 1.00 1.00 ATOM 621 HN PHE 41 -27.946 -4.739 -25.102 1.00 38.16 ATOM 622 CA PHE 41 -28.428 -2.712 -25.547 1.00 72.31 ATOM 623 HA PHE 41 -27.718 -1.900 -25.637 1.00 5.02 ATOM 624 CB PHE 41 -28.826 -3.160 -26.960 1.00 50.44 ATOM 625 HB1 PHE 41 -29.353 -2.352 -27.451 1.00 38.16 ATOM 626 HB2 PHE 41 -29.484 -4.015 -26.888 1.00 33.54 ATOM 627 CG PHE 41 -27.654 -3.548 -27.832 1.00 15.31 ATOM 628 CD1 PHE 41 -27.154 -4.844 -27.814 1.00 64.45 ATOM 629 HD1 PHE 41 -27.610 -5.580 -27.167 1.00 61.03 ATOM 630 CD2 PHE 41 -27.054 -2.617 -28.669 1.00 42.15 ATOM 631 HD2 PHE 41 -27.432 -1.605 -28.693 1.00 33.54 ATOM 632 CE1 PHE 41 -26.083 -5.200 -28.612 1.00 74.24 ATOM 633 HE1 PHE 41 -25.704 -6.212 -28.589 1.00 1.31 ATOM 634 CE2 PHE 41 -25.983 -2.969 -29.468 1.00 11.14 ATOM 635 HE2 PHE 41 -25.526 -2.234 -30.115 1.00 34.33 ATOM 636 CZ PHE 41 -25.497 -4.262 -29.440 1.00 54.13 ATOM 637 HZ PHE 41 -24.660 -4.540 -30.064 1.00 24.10 ATOM 638 C PHE 41 -29.668 -2.185 -24.798 1.00 40.54 ATOM 639 O PHE 41 -30.728 -2.808 -24.801 1.00 40.33 ATOM 640 N TRP 42 -29.516 -1.022 -24.173 1.00 24.52 ATOM 641 HN TRP 42 -28.622 -0.620 -24.152 1.00 38.16 ATOM 642 CA TRP 42 -30.619 -0.312 -23.507 1.00 43.21 ATOM 643 HA TRP 42 -31.339 -1.047 -23.176 1.00 53.15 ATOM 644 CB TRP 42 -30.043 0.424 -22.273 1.00 51.40 ATOM 645 HB1 TRP 42 -29.057 0.795 -22.520 1.00 38.16 ATOM 646 HB2 TRP 42 -29.951 -0.283 -21.463 1.00 12.11 ATOM 647 CG TRP 42 -30.849 1.586 -21.760 1.00 30.32 ATOM 648 CD1 TRP 42 -30.788 2.868 -22.211 1.00 25.10 ATOM 649 HD1 TRP 42 -30.156 3.191 -23.016 1.00 74.32 ATOM 650 CD2 TRP 42 -31.803 1.588 -20.687 1.00 70.33 ATOM 651 NE1 TRP 42 -31.636 3.666 -21.504 1.00 74.34 ATOM 652 HE1 TRP 42 -31.760 4.624 -21.651 1.00 52.10 ATOM 653 CE2 TRP 42 -32.277 2.909 -20.561 1.00 74.04 ATOM 654 CE3 TRP 42 -32.310 0.608 -19.825 1.00 1.25 ATOM 655 HE3 TRP 42 -31.975 -0.417 -19.887 1.00 22.13 ATOM 656 CZ2 TRP 42 -33.226 3.276 -19.615 1.00 13.22 ATOM 657 HZ2 TRP 42 -33.580 4.294 -19.526 1.00 62.12 ATOM 658 CZ3 TRP 42 -33.253 0.977 -18.881 1.00 50.41 ATOM 659 HZ3 TRP 42 -33.655 0.236 -18.205 1.00 24.31 ATOM 660 CH2 TRP 42 -33.702 2.303 -18.783 1.00 53.44 ATOM 661 HH2 TRP 42 -34.437 2.550 -18.031 1.00 73.04 ATOM 662 C TRP 42 -31.315 0.661 -24.492 1.00 1.45 ATOM 663 O TRP 42 -30.663 1.228 -25.371 1.00 12.20 ATOM 664 N PRO 43 -32.651 0.867 -24.384 1.00 75.13 ATOM 665 CA PRO 43 -33.519 0.234 -23.377 1.00 1.10 ATOM 666 HA PRO 43 -32.990 0.047 -22.453 1.00 63.51 ATOM 667 CB PRO 43 -34.565 1.325 -23.153 1.00 54.22 ATOM 668 HB1 PRO 43 -34.200 2.036 -22.427 1.00 38.16 ATOM 669 HB2 PRO 43 -35.487 0.883 -22.798 1.00 41.43 ATOM 670 CG PRO 43 -34.736 1.960 -24.500 1.00 71.32 ATOM 671 HG1 PRO 43 -34.957 3.013 -24.383 1.00 38.16 ATOM 672 HG2 PRO 43 -35.538 1.471 -25.034 1.00 73.24 ATOM 673 CD PRO 43 -33.426 1.779 -25.245 1.00 21.10 ATOM 674 HD1 PRO 43 -32.920 2.729 -25.354 1.00 38.16 ATOM 675 HD2 PRO 43 -33.601 1.334 -26.215 1.00 5.02 ATOM 676 C PRO 43 -34.189 -1.067 -23.856 1.00 23.11 ATOM 677 O PRO 43 -35.063 -1.608 -23.170 1.00 24.42 ATOM 678 N ARG 44 -33.780 -1.567 -25.026 1.00 34.12 ATOM 679 HN ARG 44 -33.089 -1.088 -25.530 1.00 38.16 ATOM 680 CA ARG 44 -34.343 -2.812 -25.577 1.00 21.14 ATOM 681 HA ARG 44 -35.405 -2.662 -25.714 1.00 4.14 ATOM 682 CB ARG 44 -33.704 -3.146 -26.933 1.00 72.35 ATOM 683 HB1 ARG 44 -34.207 -4.007 -27.352 1.00 38.16 ATOM 684 HB2 ARG 44 -32.663 -3.393 -26.777 1.00 24.34 ATOM 685 CG ARG 44 -33.774 -2.014 -27.954 1.00 73.32 ATOM 686 HG1 ARG 44 -33.148 -1.199 -27.618 1.00 38.16 ATOM 687 HG2 ARG 44 -34.797 -1.673 -28.030 1.00 3.03 ATOM 688 CD ARG 44 -33.300 -2.466 -29.335 1.00 43.14 ATOM 689 HD1 ARG 44 -33.226 -1.599 -29.976 1.00 38.16 ATOM 690 HD2 ARG 44 -34.029 -3.152 -29.744 1.00 73.24 ATOM 691 NE ARG 44 -32.001 -3.134 -29.289 1.00 23.31 ATOM 692 HE ARG 44 -31.633 -3.350 -28.407 1.00 61.01 ATOM 693 CZ ARG 44 -31.317 -3.492 -30.343 1.00 54.11 ATOM 694 NH1 ARG 44 -31.748 -3.238 -31.536 1.00 43.03 ATOM 695 HH11 ARG 44 -32.610 -2.764 -31.665 1.00 20.24 ATOM 696 HH12 ARG 44 -31.216 -3.526 -32.329 1.00 11.51 ATOM 697 NH2 ARG 44 -30.202 -4.123 -30.197 1.00 51.34 ATOM 698 HH21 ARG 44 -29.868 -4.334 -29.282 1.00 22.30 ATOM 699 HH22 ARG 44 -29.684 -4.408 -31.001 1.00 64.34 ATOM 700 C ARG 44 -34.131 -3.983 -24.605 1.00 34.32 ATOM 701 O ARG 44 -34.961 -4.885 -24.500 1.00 44.44 ATOM 702 N ALA 45 -33.009 -3.946 -23.900 1.00 63.53 ATOM 703 HN ALA 45 -32.374 -3.220 -24.068 1.00 38.16 ATOM 704 CA ALA 45 -32.680 -4.939 -22.881 1.00 35.04 ATOM 705 HA ALA 45 -33.557 -5.546 -22.701 1.00 30.42 ATOM 706 CB ALA 45 -31.560 -5.850 -23.379 1.00 52.40 ATOM 707 HB1 ALA 45 -30.662 -5.268 -23.537 1.00 34.52 ATOM 708 HB2 ALA 45 -31.856 -6.309 -24.310 1.00 33.03 ATOM 709 HB3 ALA 45 -31.367 -6.620 -22.646 1.00 21.25 ATOM 710 C ALA 45 -32.272 -4.248 -21.574 1.00 43.41 ATOM 711 O ALA 45 -31.812 -3.103 -21.586 1.00 61.23 ATOM 712 N ASP 46 -32.446 -4.935 -20.451 1.00 74.25 ATOM 713 HN ASP 46 -32.837 -5.834 -20.497 1.00 38.16 ATOM 714 CA ASP 46 -32.076 -4.380 -19.145 1.00 15.34 ATOM 715 HA ASP 46 -32.474 -3.375 -19.092 1.00 40.23 ATOM 716 CB ASP 46 -32.695 -5.217 -18.021 1.00 3.24 ATOM 717 HB1 ASP 46 -32.441 -4.777 -17.065 1.00 38.16 ATOM 718 HB2 ASP 46 -32.298 -6.223 -18.065 1.00 1.13 ATOM 719 CG ASP 46 -34.205 -5.282 -18.137 1.00 62.11 ATOM 720 OD1 ASP 46 -34.880 -4.332 -17.691 1.00 62.11 ATOM 721 OD2 ASP 46 -34.726 -6.276 -18.683 1.00 71.12 ATOM 722 C ASP 46 -30.548 -4.306 -18.993 1.00 71.25 ATOM 723 O ASP 46 -29.929 -5.151 -18.348 1.00 62.31 ATOM 724 N ALA 47 -29.951 -3.293 -19.619 1.00 55.53 ATOM 725 HN ALA 47 -30.509 -2.643 -20.097 1.00 38.16 ATOM 726 CA ALA 47 -28.494 -3.129 -19.642 1.00 23.22 ATOM 727 HA ALA 47 -28.081 -3.980 -20.164 1.00 70.31 ATOM 728 CB ALA 47 -28.120 -1.879 -20.429 1.00 74.13 ATOM 729 HB1 ALA 47 -28.499 -1.004 -19.920 1.00 51.13 ATOM 730 HB2 ALA 47 -28.549 -1.932 -21.420 1.00 64.33 ATOM 731 HB3 ALA 47 -27.045 -1.810 -20.508 1.00 53.32 ATOM 732 C ALA 47 -27.878 -3.072 -18.236 1.00 33.53 ATOM 733 O ALA 47 -27.062 -3.920 -17.876 1.00 55.34 ATOM 734 N TRP 48 -28.273 -2.073 -17.451 1.00 2.05 ATOM 735 HN TRP 48 -28.966 -1.458 -17.773 1.00 38.16 ATOM 736 CA TRP 48 -27.706 -1.866 -16.112 1.00 34.10 ATOM 737 HA TRP 48 -26.644 -1.704 -16.227 1.00 3.20 ATOM 738 CB TRP 48 -28.330 -0.621 -15.472 1.00 30.02 ATOM 739 HB1 TRP 48 -29.361 -0.833 -15.223 1.00 38.16 ATOM 740 HB2 TRP 48 -28.302 0.192 -16.181 1.00 75.11 ATOM 741 CG TRP 48 -27.635 -0.165 -14.220 1.00 31.20 ATOM 742 CD1 TRP 48 -26.478 0.557 -14.143 1.00 64.03 ATOM 743 HD1 TRP 48 -25.907 0.886 -14.999 1.00 40.32 ATOM 744 CD2 TRP 48 -28.060 -0.388 -12.869 1.00 34.31 ATOM 745 NE1 TRP 48 -26.158 0.793 -12.830 1.00 33.22 ATOM 746 HE1 TRP 48 -25.375 1.290 -12.517 1.00 4.32 ATOM 747 CE2 TRP 48 -27.112 0.224 -12.029 1.00 25.04 ATOM 748 CE3 TRP 48 -29.150 -1.047 -12.290 1.00 13.24 ATOM 749 HE3 TRP 48 -29.899 -1.530 -12.901 1.00 30.42 ATOM 750 CZ2 TRP 48 -27.222 0.200 -10.641 1.00 44.13 ATOM 751 HZ2 TRP 48 -26.490 0.674 -10.002 1.00 74.41 ATOM 752 CZ3 TRP 48 -29.259 -1.070 -10.911 1.00 4.25 ATOM 753 HZ3 TRP 48 -30.095 -1.574 -10.447 1.00 42.23 ATOM 754 CH2 TRP 48 -28.299 -0.450 -10.100 1.00 3.21 ATOM 755 HH2 TRP 48 -28.422 -0.493 -9.027 1.00 65.14 ATOM 756 C TRP 48 -27.924 -3.093 -15.209 1.00 53.42 ATOM 757 O TRP 48 -27.019 -3.515 -14.483 1.00 60.21 ATOM 758 N GLN 49 -29.127 -3.663 -15.264 1.00 1.14 ATOM 759 HN GLN 49 -29.813 -3.274 -15.851 1.00 38.16 ATOM 760 CA GLN 49 -29.459 -4.847 -14.466 1.00 25.43 ATOM 761 HA GLN 49 -29.272 -4.604 -13.428 1.00 31.53 ATOM 762 CB GLN 49 -30.942 -5.206 -14.627 1.00 35.22 ATOM 763 HB1 GLN 49 -31.121 -5.497 -15.654 1.00 38.16 ATOM 764 HB2 GLN 49 -31.538 -4.333 -14.402 1.00 2.42 ATOM 765 CG GLN 49 -31.403 -6.346 -13.719 1.00 3.21 ATOM 766 HG1 GLN 49 -30.810 -7.224 -13.936 1.00 38.16 ATOM 767 HG2 GLN 49 -32.440 -6.558 -13.929 1.00 52.23 ATOM 768 CD GLN 49 -31.268 -6.023 -12.237 1.00 43.20 ATOM 769 OE1 GLN 49 -31.030 -6.900 -11.413 1.00 65.11 ATOM 770 NE2 GLN 49 -31.435 -4.767 -11.878 1.00 4.24 ATOM 771 HE21 GLN 49 -31.638 -4.108 -12.571 1.00 25.41 ATOM 772 HE22 GLN 49 -31.346 -4.544 -10.928 1.00 3.33 ATOM 773 C GLN 49 -28.585 -6.050 -14.851 1.00 60.45 ATOM 774 O GLN 49 -28.002 -6.703 -13.989 1.00 12.32 ATOM 775 N GLN 50 -28.498 -6.341 -16.148 1.00 14.31 ATOM 776 HN GLN 50 -29.003 -5.805 -16.794 1.00 38.16 ATOM 777 CA GLN 50 -27.664 -7.449 -16.630 1.00 31.12 ATOM 778 HA GLN 50 -27.956 -8.335 -16.084 1.00 21.41 ATOM 779 CB GLN 50 -27.903 -7.694 -18.129 1.00 11.55 ATOM 780 HB1 GLN 50 -27.204 -8.443 -18.477 1.00 38.16 ATOM 781 HB2 GLN 50 -27.726 -6.773 -18.667 1.00 11.32 ATOM 782 CG GLN 50 -29.319 -8.176 -18.449 1.00 4.43 ATOM 783 HG1 GLN 50 -30.024 -7.441 -18.086 1.00 38.16 ATOM 784 HG2 GLN 50 -29.489 -9.113 -17.940 1.00 61.25 ATOM 785 CD GLN 50 -29.562 -8.387 -19.938 1.00 30.13 ATOM 786 OE1 GLN 50 -30.350 -9.240 -20.336 1.00 54.54 ATOM 787 NE2 GLN 50 -28.903 -7.609 -20.773 1.00 35.34 ATOM 788 HE21 GLN 50 -28.299 -6.939 -20.402 1.00 10.14 ATOM 789 HE22 GLN 50 -29.048 -7.741 -21.734 1.00 43.55 ATOM 790 C GLN 50 -26.174 -7.184 -16.359 1.00 2.41 ATOM 791 O GLN 50 -25.409 -8.112 -16.094 1.00 62.45 ATOM 792 N LEU 51 -25.770 -5.914 -16.413 1.00 74.04 ATOM 793 HN LEU 51 -26.413 -5.219 -16.662 1.00 38.16 ATOM 794 CA LEU 51 -24.386 -5.533 -16.111 1.00 42.14 ATOM 795 HA LEU 51 -23.740 -6.105 -16.763 1.00 43.02 ATOM 796 CB LEU 51 -24.164 -4.038 -16.382 1.00 41.32 ATOM 797 HB1 LEU 51 -24.869 -3.479 -15.785 1.00 38.16 ATOM 798 HB2 LEU 51 -24.372 -3.848 -17.427 1.00 22.03 ATOM 799 CG LEU 51 -22.747 -3.523 -16.062 1.00 12.20 ATOM 800 HG LEU 51 -22.540 -3.707 -15.016 1.00 74.03 ATOM 801 CD1 LEU 51 -21.698 -4.276 -16.877 1.00 54.30 ATOM 802 HD11 LEU 51 -20.719 -3.872 -16.664 1.00 32.52 ATOM 803 HD12 LEU 51 -21.909 -4.168 -17.932 1.00 23.45 ATOM 804 HD13 LEU 51 -21.718 -5.323 -16.611 1.00 2.12 ATOM 805 CD2 LEU 51 -22.644 -2.018 -16.299 1.00 33.54 ATOM 806 HD21 LEU 51 -23.366 -1.504 -15.681 1.00 40.11 ATOM 807 HD22 LEU 51 -22.840 -1.800 -17.338 1.00 42.22 ATOM 808 HD23 LEU 51 -21.649 -1.681 -16.043 1.00 33.35 ATOM 809 C LEU 51 -24.026 -5.858 -14.654 1.00 74.34 ATOM 810 O LEU 51 -23.030 -6.535 -14.387 1.00 62.30 ATOM 811 N LYS 52 -24.838 -5.377 -13.709 1.00 3.42 ATOM 812 HN LYS 52 -25.605 -4.822 -13.969 1.00 38.16 ATOM 813 CA LYS 52 -24.602 -5.660 -12.292 1.00 23.13 ATOM 814 HA LYS 52 -23.581 -5.376 -12.073 1.00 22.24 ATOM 815 CB LYS 52 -25.545 -4.839 -11.397 1.00 63.14 ATOM 816 HB1 LYS 52 -25.502 -3.806 -11.713 1.00 38.16 ATOM 817 HB2 LYS 52 -25.192 -4.902 -10.377 1.00 21.41 ATOM 818 CG LYS 52 -27.006 -5.284 -11.421 1.00 13.11 ATOM 819 HG1 LYS 52 -27.076 -6.281 -11.007 1.00 38.16 ATOM 820 HG2 LYS 52 -27.350 -5.296 -12.446 1.00 11.14 ATOM 821 CD LYS 52 -27.899 -4.344 -10.611 1.00 43.11 ATOM 822 HD1 LYS 52 -28.910 -4.730 -10.622 1.00 38.16 ATOM 823 HD2 LYS 52 -27.885 -3.365 -11.071 1.00 61.02 ATOM 824 CE LYS 52 -27.437 -4.209 -9.157 1.00 31.33 ATOM 825 HE1 LYS 52 -28.031 -3.446 -8.673 1.00 38.16 ATOM 826 HE2 LYS 52 -26.399 -3.911 -9.147 1.00 20.41 ATOM 827 NZ LYS 52 -27.575 -5.479 -8.396 1.00 63.05 ATOM 828 HZ1 LYS 52 -28.576 -5.754 -8.338 1.00 35.30 ATOM 829 HZ2 LYS 52 -27.207 -5.357 -7.429 1.00 4.50 ATOM 830 HZ3 LYS 52 -27.044 -6.241 -8.863 1.00 74.53 ATOM 831 C LYS 52 -24.756 -7.158 -12.009 1.00 12.44 ATOM 832 O LYS 52 -24.026 -7.717 -11.198 1.00 34.23 ATOM 833 N ASP 53 -25.697 -7.801 -12.704 1.00 62.31 ATOM 834 HN ASP 53 -26.278 -7.287 -13.304 1.00 38.16 ATOM 835 CA ASP 53 -25.902 -9.248 -12.590 1.00 64.43 ATOM 836 HA ASP 53 -26.161 -9.465 -11.562 1.00 70.32 ATOM 837 CB ASP 53 -27.060 -9.679 -13.496 1.00 40.15 ATOM 838 HB1 ASP 53 -26.808 -9.453 -14.524 1.00 38.16 ATOM 839 HB2 ASP 53 -27.948 -9.125 -13.223 1.00 4.31 ATOM 840 CG ASP 53 -27.369 -11.161 -13.389 1.00 33.30 ATOM 841 OD1 ASP 53 -27.995 -11.572 -12.386 1.00 24.43 ATOM 842 OD2 ASP 53 -27.004 -11.920 -14.310 1.00 21.23 ATOM 843 C ASP 53 -24.617 -10.017 -12.949 1.00 65.44 ATOM 844 O ASP 53 -24.218 -10.943 -12.242 1.00 34.45 ATOM 845 N GLU 54 -23.973 -9.621 -14.048 1.00 50.00 ATOM 846 HN GLU 54 -24.388 -8.942 -14.624 1.00 38.16 ATOM 847 CA GLU 54 -22.670 -10.180 -14.425 1.00 72.45 ATOM 848 HA GLU 54 -22.795 -11.245 -14.568 1.00 42.22 ATOM 849 CB GLU 54 -22.167 -9.552 -15.734 1.00 62.54 ATOM 850 HB1 GLU 54 -21.130 -9.828 -15.875 1.00 38.16 ATOM 851 HB2 GLU 54 -22.230 -8.476 -15.649 1.00 4.51 ATOM 852 CG GLU 54 -22.943 -9.973 -16.978 1.00 53.32 ATOM 853 HG1 GLU 54 -22.629 -9.352 -17.807 1.00 38.16 ATOM 854 HG2 GLU 54 -23.998 -9.819 -16.799 1.00 54.33 ATOM 855 CD GLU 54 -22.717 -11.431 -17.351 1.00 22.20 ATOM 856 OE1 GLU 54 -23.570 -12.280 -17.019 1.00 73.22 ATOM 857 OE2 GLU 54 -21.680 -11.735 -17.984 1.00 71.44 ATOM 858 C GLU 54 -21.631 -9.948 -13.317 1.00 73.35 ATOM 859 O GLU 54 -20.895 -10.857 -12.944 1.00 52.43 ATOM 860 N LEU 55 -21.582 -8.724 -12.797 1.00 21.14 ATOM 861 HN LEU 55 -22.197 -8.039 -13.141 1.00 38.16 ATOM 862 CA LEU 55 -20.639 -8.363 -11.729 1.00 40.02 ATOM 863 HA LEU 55 -19.645 -8.617 -12.071 1.00 23.22 ATOM 864 CB LEU 55 -20.699 -6.851 -11.469 1.00 12.32 ATOM 865 HB1 LEU 55 -20.035 -6.620 -10.646 1.00 38.16 ATOM 866 HB2 LEU 55 -21.709 -6.600 -11.173 1.00 21.31 ATOM 867 CG LEU 55 -20.309 -5.965 -12.666 1.00 62.44 ATOM 868 HG LEU 55 -20.954 -6.198 -13.504 1.00 14.52 ATOM 869 CD1 LEU 55 -20.501 -4.488 -12.333 1.00 3.54 ATOM 870 HD11 LEU 55 -21.534 -4.310 -12.072 1.00 53.30 ATOM 871 HD12 LEU 55 -20.242 -3.889 -13.193 1.00 71.14 ATOM 872 HD13 LEU 55 -19.867 -4.217 -11.501 1.00 73.14 ATOM 873 CD2 LEU 55 -18.867 -6.238 -13.096 1.00 12.53 ATOM 874 HD21 LEU 55 -18.772 -7.269 -13.406 1.00 34.24 ATOM 875 HD22 LEU 55 -18.197 -6.049 -12.269 1.00 53.12 ATOM 876 HD23 LEU 55 -18.608 -5.591 -13.922 1.00 31.12 ATOM 877 C LEU 55 -20.919 -9.135 -10.424 1.00 31.50 ATOM 878 O LEU 55 -20.001 -9.457 -9.672 1.00 10.32 ATOM 879 N GLU 56 -22.193 -9.414 -10.157 1.00 33.35 ATOM 880 HN GLU 56 -22.885 -9.084 -10.765 1.00 38.16 ATOM 881 CA GLU 56 -22.595 -10.197 -8.981 1.00 41.42 ATOM 882 HA GLU 56 -22.008 -9.855 -8.139 1.00 34.20 ATOM 883 CB GLU 56 -24.084 -9.967 -8.676 1.00 74.03 ATOM 884 HB1 GLU 56 -24.385 -10.630 -7.877 1.00 38.16 ATOM 885 HB2 GLU 56 -24.662 -10.200 -9.560 1.00 40.12 ATOM 886 CG GLU 56 -24.406 -8.535 -8.257 1.00 50.30 ATOM 887 HG1 GLU 56 -23.972 -7.858 -8.980 1.00 38.16 ATOM 888 HG2 GLU 56 -23.964 -8.349 -7.288 1.00 5.34 ATOM 889 CD GLU 56 -25.901 -8.261 -8.169 1.00 31.21 ATOM 890 OE1 GLU 56 -26.483 -8.423 -7.079 1.00 75.54 ATOM 891 OE2 GLU 56 -26.504 -7.877 -9.195 1.00 65.02 ATOM 892 C GLU 56 -22.318 -11.694 -9.197 1.00 62.42 ATOM 893 O GLU 56 -22.002 -12.424 -8.254 1.00 32.14 ATOM 894 N ALA 57 -22.449 -12.141 -10.443 1.00 33.51 ATOM 895 HN ALA 57 -22.786 -11.530 -11.132 1.00 38.16 ATOM 896 CA ALA 57 -22.116 -13.518 -10.819 1.00 22.44 ATOM 897 HA ALA 57 -22.624 -14.186 -10.136 1.00 52.11 ATOM 898 CB ALA 57 -22.614 -13.809 -12.230 1.00 74.40 ATOM 899 HB1 ALA 57 -23.680 -13.641 -12.278 1.00 40.44 ATOM 900 HB2 ALA 57 -22.401 -14.837 -12.485 1.00 34.34 ATOM 901 HB3 ALA 57 -22.116 -13.155 -12.932 1.00 24.20 ATOM 902 C ALA 57 -20.603 -13.760 -10.727 1.00 22.00 ATOM 903 O ALA 57 -20.149 -14.818 -10.281 1.00 0.12 ATOM 904 N LYS 58 -19.827 -12.772 -11.164 1.00 64.24 ATOM 905 HN LYS 58 -20.247 -11.982 -11.569 1.00 38.16 ATOM 906 CA LYS 58 -18.370 -12.818 -11.052 1.00 2.52 ATOM 907 HA LYS 58 -18.049 -13.831 -11.256 1.00 74.50 ATOM 908 CB LYS 58 -17.738 -11.873 -12.083 1.00 50.45 ATOM 909 HB1 LYS 58 -16.662 -11.979 -12.043 1.00 38.16 ATOM 910 HB2 LYS 58 -18.000 -10.854 -11.828 1.00 14.34 ATOM 911 CG LYS 58 -18.196 -12.143 -13.518 1.00 64.10 ATOM 912 HG1 LYS 58 -19.278 -12.158 -13.541 1.00 38.16 ATOM 913 HG2 LYS 58 -17.817 -13.106 -13.832 1.00 34.52 ATOM 914 CD LYS 58 -17.694 -11.074 -14.487 1.00 34.23 ATOM 915 HD1 LYS 58 -16.617 -11.146 -14.561 1.00 38.16 ATOM 916 HD2 LYS 58 -17.961 -10.102 -14.099 1.00 72.21 ATOM 917 CE LYS 58 -18.298 -11.225 -15.883 1.00 51.15 ATOM 918 HE1 LYS 58 -17.932 -10.422 -16.507 1.00 38.16 ATOM 919 HE2 LYS 58 -19.373 -11.155 -15.807 1.00 42.51 ATOM 920 NZ LYS 58 -17.949 -12.524 -16.518 1.00 25.21 ATOM 921 HZ1 LYS 58 -18.370 -13.312 -15.983 1.00 25.54 ATOM 922 HZ2 LYS 58 -16.919 -12.648 -16.542 1.00 23.12 ATOM 923 HZ3 LYS 58 -18.310 -12.553 -17.493 1.00 52.01 ATOM 924 C LYS 58 -17.949 -12.442 -9.622 1.00 32.11 ATOM 925 O LYS 58 -17.660 -11.286 -9.321 1.00 43.52 ATOM 926 N HIS 59 -17.923 -13.441 -8.745 1.00 34.40 ATOM 927 HN HIS 59 -17.999 -14.359 -9.081 1.00 38.16 ATOM 928 CA HIS 59 -17.766 -13.222 -7.302 1.00 74.55 ATOM 929 HA HIS 59 -18.472 -12.454 -7.019 1.00 21.41 ATOM 930 CB HIS 59 -18.129 -14.504 -6.545 1.00 4.40 ATOM 931 HB1 HIS 59 -17.906 -14.372 -5.496 1.00 38.16 ATOM 932 HB2 HIS 59 -17.542 -15.324 -6.932 1.00 61.21 ATOM 933 CG HIS 59 -19.579 -14.873 -6.666 1.00 15.34 ATOM 934 ND1 HIS 59 -20.071 -15.707 -7.649 1.00 63.20 ATOM 935 HD1 HIS 59 -19.542 -16.134 -8.355 1.00 32.24 ATOM 936 CD2 HIS 59 -20.651 -14.512 -5.919 1.00 22.34 ATOM 937 HD2 HIS 59 -20.642 -13.861 -5.055 1.00 72.42 ATOM 938 CE1 HIS 59 -21.373 -15.841 -7.502 1.00 1.44 ATOM 939 HE1 HIS 59 -22.022 -16.434 -8.129 1.00 24.02 ATOM 940 NE2 HIS 59 -21.748 -15.127 -6.462 1.00 34.43 ATOM 941 HE2 HIS 59 -22.650 -15.130 -6.074 1.00 38.16 ATOM 942 C HIS 59 -16.361 -12.740 -6.902 1.00 1.50 ATOM 943 O HIS 59 -16.104 -12.490 -5.724 1.00 52.13 ATOM 944 N TRP 60 -15.453 -12.611 -7.866 1.00 62.23 ATOM 945 HN TRP 60 -15.674 -12.906 -8.774 1.00 38.16 ATOM 946 CA TRP 60 -14.121 -12.051 -7.588 1.00 54.23 ATOM 947 HA TRP 60 -13.859 -12.340 -6.578 1.00 64.13 ATOM 948 CB TRP 60 -13.068 -12.638 -8.545 1.00 33.14 ATOM 949 HB1 TRP 60 -13.032 -13.711 -8.405 1.00 38.16 ATOM 950 HB2 TRP 60 -12.102 -12.223 -8.298 1.00 52.14 ATOM 951 CG TRP 60 -13.319 -12.374 -10.004 1.00 14.43 ATOM 952 CD1 TRP 60 -14.214 -13.013 -10.816 1.00 15.12 ATOM 953 HD1 TRP 60 -14.880 -13.799 -10.490 1.00 2.44 ATOM 954 CD2 TRP 60 -12.645 -11.413 -10.830 1.00 64.23 ATOM 955 NE1 TRP 60 -14.144 -12.503 -12.089 1.00 61.01 ATOM 956 HE1 TRP 60 -14.688 -12.798 -12.850 1.00 74.52 ATOM 957 CE2 TRP 60 -13.189 -11.522 -12.124 1.00 10.41 ATOM 958 CE3 TRP 60 -11.639 -10.469 -10.598 1.00 24.04 ATOM 959 HE3 TRP 60 -11.196 -10.354 -9.619 1.00 1.12 ATOM 960 CZ2 TRP 60 -12.758 -10.724 -13.182 1.00 61.23 ATOM 961 HZ2 TRP 60 -13.179 -10.814 -14.174 1.00 63.43 ATOM 962 CZ3 TRP 60 -11.212 -9.677 -11.650 1.00 1.52 ATOM 963 HZ3 TRP 60 -10.434 -8.944 -11.490 1.00 40.04 ATOM 964 CH2 TRP 60 -11.772 -9.809 -12.928 1.00 13.11 ATOM 965 HH2 TRP 60 -11.408 -9.173 -13.720 1.00 42.21 ATOM 966 C TRP 60 -14.132 -10.506 -7.648 1.00 41.12 ATOM 967 O TRP 60 -13.121 -9.855 -7.373 1.00 21.21 ATOM 968 N ILE 61 -15.287 -9.936 -8.000 1.00 70.22 ATOM 969 HN ILE 61 -16.030 -10.512 -8.274 1.00 38.16 ATOM 970 CA ILE 61 -15.486 -8.477 -7.995 1.00 74.32 ATOM 971 HA ILE 61 -14.562 -8.012 -8.317 1.00 0.02 ATOM 972 CB ILE 61 -16.620 -8.053 -8.983 1.00 23.02 ATOM 973 HB ILE 61 -17.434 -8.759 -8.876 1.00 20.32 ATOM 974 CG1 ILE 61 -16.134 -8.074 -10.448 1.00 11.23 ATOM 975 HG11 ILE 61 -15.349 -7.340 -10.568 1.00 38.16 ATOM 976 HG12 ILE 61 -16.960 -7.815 -11.094 1.00 14.04 ATOM 977 CG2 ILE 61 -17.165 -6.665 -8.638 1.00 64.22 ATOM 978 HG21 ILE 61 -16.359 -5.944 -8.655 1.00 64.55 ATOM 979 HG22 ILE 61 -17.611 -6.682 -7.653 1.00 70.23 ATOM 980 HG23 ILE 61 -17.914 -6.379 -9.363 1.00 42.00 ATOM 981 CD1 ILE 61 -15.596 -9.407 -10.922 1.00 3.42 ATOM 982 HD11 ILE 61 -16.355 -10.166 -10.808 1.00 51.13 ATOM 983 HD12 ILE 61 -14.728 -9.676 -10.337 1.00 43.35 ATOM 984 HD13 ILE 61 -15.317 -9.333 -11.963 1.00 22.20 ATOM 985 C ILE 61 -15.827 -7.972 -6.580 1.00 5.11 ATOM 986 O ILE 61 -16.644 -8.569 -5.874 1.00 75.54 ATOM 987 N ALA 62 -15.196 -6.873 -6.167 1.00 42.12 ATOM 988 HN ALA 62 -14.522 -6.463 -6.749 1.00 38.16 ATOM 989 CA ALA 62 -15.485 -6.262 -4.865 1.00 1.34 ATOM 990 HA ALA 62 -15.725 -7.056 -4.170 1.00 23.50 ATOM 991 CB ALA 62 -14.254 -5.532 -4.340 1.00 14.04 ATOM 992 HB1 ALA 62 -14.456 -5.149 -3.350 1.00 43.41 ATOM 993 HB2 ALA 62 -14.010 -4.712 -5.000 1.00 35.14 ATOM 994 HB3 ALA 62 -13.420 -6.218 -4.296 1.00 73.33 ATOM 995 C ALA 62 -16.681 -5.299 -4.953 1.00 5.10 ATOM 996 O ALA 62 -17.007 -4.792 -6.031 1.00 63.33 ATOM 997 N GLU 63 -17.326 -5.040 -3.815 1.00 32.02 ATOM 998 HN GLU 63 -17.002 -5.440 -2.981 1.00 38.16 ATOM 999 CA GLU 63 -18.496 -4.152 -3.774 1.00 61.43 ATOM 1000 HA GLU 63 -19.253 -4.577 -4.419 1.00 35.51 ATOM 1001 CB GLU 63 -19.057 -4.065 -2.345 1.00 62.24 ATOM 1002 HB1 GLU 63 -18.264 -3.759 -1.677 1.00 38.16 ATOM 1003 HB2 GLU 63 -19.405 -5.044 -2.048 1.00 72.42 ATOM 1004 CG GLU 63 -20.214 -3.081 -2.194 1.00 33.11 ATOM 1005 HG1 GLU 63 -20.998 -3.361 -2.885 1.00 38.16 ATOM 1006 HG2 GLU 63 -19.861 -2.089 -2.442 1.00 61.22 ATOM 1007 CD GLU 63 -20.790 -3.054 -0.787 1.00 4.32 ATOM 1008 OE1 GLU 63 -20.162 -2.449 0.108 1.00 61.10 ATOM 1009 OE2 GLU 63 -21.872 -3.634 -0.568 1.00 4.42 ATOM 1010 C GLU 63 -18.145 -2.748 -4.289 1.00 73.23 ATOM 1011 O GLU 63 -18.829 -2.209 -5.159 1.00 73.24 ATOM 1012 N ALA 64 -17.068 -2.175 -3.758 1.00 44.32 ATOM 1013 HN ALA 64 -16.576 -2.652 -3.056 1.00 38.16 ATOM 1014 CA ALA 64 -16.600 -0.847 -4.178 1.00 61.31 ATOM 1015 HA ALA 64 -17.332 -0.119 -3.851 1.00 63.12 ATOM 1016 CB ALA 64 -15.273 -0.519 -3.500 1.00 72.42 ATOM 1017 HB1 ALA 64 -15.389 -0.582 -2.427 1.00 64.40 ATOM 1018 HB2 ALA 64 -14.966 0.482 -3.770 1.00 53.02 ATOM 1019 HB3 ALA 64 -14.520 -1.224 -3.820 1.00 21.30 ATOM 1020 C ALA 64 -16.449 -0.748 -5.705 1.00 4.20 ATOM 1021 O ALA 64 -16.893 0.220 -6.326 1.00 73.41 ATOM 1022 N ASP 65 -15.829 -1.765 -6.304 1.00 24.33 ATOM 1023 HN ASP 65 -15.517 -2.518 -5.761 1.00 38.16 ATOM 1024 CA ASP 65 -15.600 -1.787 -7.750 1.00 25.53 ATOM 1025 HA ASP 65 -15.087 -0.871 -8.007 1.00 64.32 ATOM 1026 CB ASP 65 -14.703 -2.970 -8.129 1.00 11.22 ATOM 1027 HB1 ASP 65 -14.657 -3.051 -9.205 1.00 38.16 ATOM 1028 HB2 ASP 65 -15.124 -3.880 -7.722 1.00 40.42 ATOM 1029 CG ASP 65 -13.290 -2.808 -7.599 1.00 33.41 ATOM 1030 OD1 ASP 65 -12.843 -3.644 -6.790 1.00 22.05 ATOM 1031 OD2 ASP 65 -12.618 -1.830 -7.987 1.00 1.32 ATOM 1032 C ASP 65 -16.915 -1.838 -8.545 1.00 64.42 ATOM 1033 O ASP 65 -17.128 -1.029 -9.455 1.00 32.22 ATOM 1034 N ARG 66 -17.802 -2.777 -8.202 1.00 2.32 ATOM 1035 HN ARG 66 -17.602 -3.378 -7.452 1.00 38.16 ATOM 1036 CA ARG 66 -19.067 -2.922 -8.933 1.00 43.42 ATOM 1037 HA ARG 66 -18.818 -3.020 -9.982 1.00 51.42 ATOM 1038 CB ARG 66 -19.834 -4.188 -8.500 1.00 23.31 ATOM 1039 HB1 ARG 66 -19.157 -5.030 -8.546 1.00 38.16 ATOM 1040 HB2 ARG 66 -20.639 -4.358 -9.202 1.00 53.44 ATOM 1041 CG ARG 66 -20.436 -4.142 -7.097 1.00 43.32 ATOM 1042 HG1 ARG 66 -21.134 -3.319 -7.039 1.00 38.16 ATOM 1043 HG2 ARG 66 -19.642 -3.993 -6.379 1.00 43.44 ATOM 1044 CD ARG 66 -21.170 -5.437 -6.761 1.00 14.25 ATOM 1045 HD1 ARG 66 -20.452 -6.246 -6.737 1.00 38.16 ATOM 1046 HD2 ARG 66 -21.901 -5.635 -7.534 1.00 61.43 ATOM 1047 NE ARG 66 -21.857 -5.373 -5.472 1.00 72.34 ATOM 1048 HE ARG 66 -22.058 -4.488 -5.106 1.00 65.22 ATOM 1049 CZ ARG 66 -22.233 -6.423 -4.794 1.00 71.25 ATOM 1050 NH1 ARG 66 -21.974 -7.615 -5.230 1.00 14.15 ATOM 1051 HH11 ARG 66 -21.483 -7.737 -6.085 1.00 33.21 ATOM 1052 HH12 ARG 66 -22.270 -8.413 -4.705 1.00 32.52 ATOM 1053 NH2 ARG 66 -22.879 -6.277 -3.684 1.00 34.15 ATOM 1054 HH21 ARG 66 -23.089 -5.362 -3.349 1.00 25.03 ATOM 1055 HH22 ARG 66 -23.160 -7.079 -3.160 1.00 64.15 ATOM 1056 C ARG 66 -19.945 -1.674 -8.773 1.00 64.45 ATOM 1057 O ARG 66 -20.509 -1.181 -9.745 1.00 60.43 ATOM 1058 N ILE 67 -20.032 -1.145 -7.554 1.00 62.13 ATOM 1059 HN ILE 67 -19.539 -1.560 -6.814 1.00 38.16 ATOM 1060 CA ILE 67 -20.834 0.054 -7.297 1.00 20.24 ATOM 1061 HA ILE 67 -21.849 -0.158 -7.611 1.00 14.11 ATOM 1062 CB ILE 67 -20.860 0.410 -5.786 1.00 44.12 ATOM 1063 HB ILE 67 -19.838 0.526 -5.455 1.00 53.41 ATOM 1064 CG1 ILE 67 -21.520 -0.721 -4.974 1.00 32.02 ATOM 1065 HG11 ILE 67 -21.515 -0.455 -3.927 1.00 38.16 ATOM 1066 HG12 ILE 67 -20.952 -1.631 -5.107 1.00 64.22 ATOM 1067 CG2 ILE 67 -21.584 1.738 -5.546 1.00 30.41 ATOM 1068 HG21 ILE 67 -22.594 1.675 -5.928 1.00 51.14 ATOM 1069 HG22 ILE 67 -21.059 2.535 -6.052 1.00 2.11 ATOM 1070 HG23 ILE 67 -21.614 1.947 -4.485 1.00 52.32 ATOM 1071 CD1 ILE 67 -22.955 -1.012 -5.370 1.00 1.33 ATOM 1072 HD11 ILE 67 -23.350 -1.796 -4.742 1.00 33.34 ATOM 1073 HD12 ILE 67 -22.988 -1.328 -6.403 1.00 24.11 ATOM 1074 HD13 ILE 67 -23.551 -0.118 -5.248 1.00 43.00 ATOM 1075 C ILE 67 -20.310 1.253 -8.102 1.00 2.42 ATOM 1076 O ILE 67 -21.087 1.980 -8.719 1.00 2.32 ATOM 1077 N ASN 68 -18.988 1.437 -8.110 1.00 34.22 ATOM 1078 HN ASN 68 -18.419 0.825 -7.595 1.00 38.16 ATOM 1079 CA ASN 68 -18.358 2.532 -8.861 1.00 75.32 ATOM 1080 HA ASN 68 -18.662 3.463 -8.401 1.00 72.05 ATOM 1081 CB ASN 68 -16.830 2.424 -8.797 1.00 61.24 ATOM 1082 HB1 ASN 68 -16.523 1.474 -9.212 1.00 38.16 ATOM 1083 HB2 ASN 68 -16.513 2.479 -7.765 1.00 2.31 ATOM 1084 CG ASN 68 -16.142 3.536 -9.573 1.00 42.20 ATOM 1085 OD1 ASN 68 -16.593 4.677 -9.581 1.00 41.11 ATOM 1086 ND2 ASN 68 -15.064 3.209 -10.253 1.00 32.34 ATOM 1087 HD21 ASN 68 -14.759 2.282 -10.222 1.00 20.12 ATOM 1088 HD22 ASN 68 -14.626 3.908 -10.784 1.00 13.51 ATOM 1089 C ASN 68 -18.803 2.540 -10.335 1.00 44.05 ATOM 1090 O ASN 68 -19.381 3.518 -10.816 1.00 62.54 ATOM 1091 N VAL 69 -18.540 1.440 -11.044 1.00 44.43 ATOM 1092 HN VAL 69 -18.111 0.676 -10.599 1.00 38.16 ATOM 1093 CA VAL 69 -18.873 1.345 -12.469 1.00 43.02 ATOM 1094 HA VAL 69 -18.428 2.200 -12.960 1.00 52.02 ATOM 1095 CB VAL 69 -18.273 0.067 -13.111 1.00 74.43 ATOM 1096 HB VAL 69 -18.533 0.061 -14.162 1.00 65.34 ATOM 1097 CG1 VAL 69 -16.746 0.085 -13.002 1.00 33.51 ATOM 1098 HG11 VAL 69 -16.361 0.983 -13.465 1.00 54.42 ATOM 1099 HG12 VAL 69 -16.336 -0.780 -13.504 1.00 73.32 ATOM 1100 HG13 VAL 69 -16.458 0.066 -11.960 1.00 22.43 ATOM 1101 CG2 VAL 69 -18.847 -1.195 -12.468 1.00 3.21 ATOM 1102 HG21 VAL 69 -19.920 -1.210 -12.595 1.00 71.44 ATOM 1103 HG22 VAL 69 -18.611 -1.201 -11.414 1.00 62.13 ATOM 1104 HG23 VAL 69 -18.418 -2.069 -12.938 1.00 3.11 ATOM 1105 C VAL 69 -20.394 1.395 -12.708 1.00 11.14 ATOM 1106 O VAL 69 -20.852 1.851 -13.758 1.00 1.54 ATOM 1107 N LEU 70 -21.175 0.944 -11.726 1.00 64.11 ATOM 1108 HN LEU 70 -20.761 0.529 -10.938 1.00 38.16 ATOM 1109 CA LEU 70 -22.637 1.040 -11.803 1.00 60.44 ATOM 1110 HA LEU 70 -22.932 0.695 -12.785 1.00 62.01 ATOM 1111 CB LEU 70 -23.304 0.147 -10.748 1.00 2.10 ATOM 1112 HB1 LEU 70 -24.357 0.393 -10.711 1.00 38.16 ATOM 1113 HB2 LEU 70 -22.866 0.377 -9.785 1.00 12.21 ATOM 1114 CG LEU 70 -23.174 -1.367 -10.988 1.00 25.45 ATOM 1115 HG LEU 70 -22.125 -1.628 -11.007 1.00 53.33 ATOM 1116 CD1 LEU 70 -23.825 -2.152 -9.852 1.00 33.11 ATOM 1117 HD11 LEU 70 -23.370 -1.872 -8.913 1.00 21.11 ATOM 1118 HD12 LEU 70 -23.679 -3.210 -10.017 1.00 52.41 ATOM 1119 HD13 LEU 70 -24.883 -1.935 -9.820 1.00 2.43 ATOM 1120 CD2 LEU 70 -23.777 -1.757 -12.337 1.00 20.12 ATOM 1121 HD21 LEU 70 -24.815 -1.457 -12.372 1.00 12.41 ATOM 1122 HD22 LEU 70 -23.708 -2.827 -12.469 1.00 72.21 ATOM 1123 HD23 LEU 70 -23.233 -1.264 -13.131 1.00 52.20 ATOM 1124 C LEU 70 -23.113 2.493 -11.638 1.00 53.32 ATOM 1125 O LEU 70 -24.117 2.891 -12.230 1.00 60.44 ATOM 1126 N ASN 71 -22.395 3.278 -10.831 1.00 62.53 ATOM 1127 HN ASN 71 -21.630 2.895 -10.350 1.00 38.16 ATOM 1128 CA ASN 71 -22.723 4.700 -10.640 1.00 0.21 ATOM 1129 HA ASN 71 -23.748 4.764 -10.305 1.00 73.32 ATOM 1130 CB ASN 71 -21.808 5.331 -9.580 1.00 1.53 ATOM 1131 HB1 ASN 71 -22.019 6.390 -9.515 1.00 38.16 ATOM 1132 HB2 ASN 71 -20.777 5.195 -9.878 1.00 24.54 ATOM 1133 CG ASN 71 -21.988 4.724 -8.203 1.00 40.55 ATOM 1134 OD1 ASN 71 -23.075 4.300 -7.830 1.00 4.25 ATOM 1135 ND2 ASN 71 -20.925 4.686 -7.430 1.00 42.21 ATOM 1136 HD21 ASN 71 -20.084 5.047 -7.780 1.00 32.32 ATOM 1137 HD22 ASN 71 -21.019 4.295 -6.542 1.00 11.40 ATOM 1138 C ASN 71 -22.576 5.477 -11.954 1.00 65.41 ATOM 1139 O ASN 71 -23.509 6.139 -12.411 1.00 55.51 ATOM 1140 N GLN 72 -21.400 5.366 -12.567 1.00 22.21 ATOM 1141 HN GLN 72 -20.703 4.809 -12.158 1.00 38.16 ATOM 1142 CA GLN 72 -21.112 6.060 -13.824 1.00 15.13 ATOM 1143 HA GLN 72 -21.348 7.106 -13.675 1.00 11.25 ATOM 1144 CB GLN 72 -19.618 5.937 -14.161 1.00 62.23 ATOM 1145 HB1 GLN 72 -19.048 6.357 -13.345 1.00 38.16 ATOM 1146 HB2 GLN 72 -19.415 6.510 -15.055 1.00 55.42 ATOM 1147 CG GLN 72 -19.141 4.504 -14.393 1.00 11.23 ATOM 1148 HG1 GLN 72 -19.479 4.182 -15.368 1.00 38.16 ATOM 1149 HG2 GLN 72 -19.576 3.867 -13.638 1.00 21.11 ATOM 1150 CD GLN 72 -17.628 4.350 -14.328 1.00 72.21 ATOM 1151 OE1 GLN 72 -17.044 3.548 -15.046 1.00 31.03 ATOM 1152 NE2 GLN 72 -16.987 5.079 -13.435 1.00 34.14 ATOM 1153 HE21 GLN 72 -17.505 5.675 -12.861 1.00 4.03 ATOM 1154 HE22 GLN 72 -16.014 4.980 -13.375 1.00 41.13 ATOM 1155 C GLN 72 -21.991 5.525 -14.967 1.00 3.42 ATOM 1156 O GLN 72 -22.458 6.294 -15.808 1.00 71.35 ATOM 1157 N ALA 73 -22.228 4.208 -14.985 1.00 55.13 ATOM 1158 HN ALA 73 -21.756 3.629 -14.347 1.00 38.16 ATOM 1159 CA ALA 73 -23.158 3.604 -15.948 1.00 55.32 ATOM 1160 HA ALA 73 -22.786 3.813 -16.944 1.00 31.43 ATOM 1161 CB ALA 73 -23.207 2.090 -15.767 1.00 11.22 ATOM 1162 HB1 ALA 73 -23.597 1.855 -14.787 1.00 22.23 ATOM 1163 HB2 ALA 73 -22.211 1.682 -15.863 1.00 73.41 ATOM 1164 HB3 ALA 73 -23.847 1.655 -16.522 1.00 51.42 ATOM 1165 C ALA 73 -24.565 4.204 -15.806 1.00 44.12 ATOM 1166 O ALA 73 -25.210 4.548 -16.798 1.00 44.14 ATOM 1167 N THR 74 -25.026 4.339 -14.560 1.00 53.22 ATOM 1168 HN THR 74 -24.487 3.996 -13.815 1.00 38.16 ATOM 1169 CA THR 74 -26.316 4.981 -14.272 1.00 21.24 ATOM 1170 HA THR 74 -27.090 4.405 -14.761 1.00 12.34 ATOM 1171 CB THR 74 -26.616 5.001 -12.748 1.00 64.21 ATOM 1172 HB THR 74 -25.785 5.471 -12.239 1.00 54.14 ATOM 1173 OG1 THR 74 -26.759 3.660 -12.255 1.00 41.33 ATOM 1174 HG1 THR 74 -25.954 3.400 -11.792 1.00 22.54 ATOM 1175 CG2 THR 74 -27.884 5.789 -12.439 1.00 24.23 ATOM 1176 HG21 THR 74 -28.714 5.364 -12.984 1.00 10.10 ATOM 1177 HG22 THR 74 -27.750 6.821 -12.733 1.00 61.51 ATOM 1178 HG23 THR 74 -28.089 5.741 -11.380 1.00 33.12 ATOM 1179 C THR 74 -26.353 6.414 -14.816 1.00 51.52 ATOM 1180 O THR 74 -27.346 6.842 -15.406 1.00 63.04 ATOM 1181 N GLU 75 -25.258 7.149 -14.631 1.00 42.30 ATOM 1182 HN GLU 75 -24.498 6.763 -14.139 1.00 38.16 ATOM 1183 CA GLU 75 -25.160 8.520 -15.140 1.00 22.52 ATOM 1184 HA GLU 75 -26.007 9.069 -14.753 1.00 42.53 ATOM 1185 CB GLU 75 -23.874 9.196 -14.649 1.00 53.04 ATOM 1186 HB1 GLU 75 -23.818 10.188 -15.077 1.00 38.16 ATOM 1187 HB2 GLU 75 -23.024 8.621 -14.988 1.00 5.40 ATOM 1188 CG GLU 75 -23.787 9.326 -13.133 1.00 54.30 ATOM 1189 HG1 GLU 75 -23.624 8.345 -12.710 1.00 38.16 ATOM 1190 HG2 GLU 75 -24.725 9.721 -12.763 1.00 43.51 ATOM 1191 CD GLU 75 -22.661 10.246 -12.687 1.00 13.23 ATOM 1192 OE1 GLU 75 -21.591 9.750 -12.281 1.00 13.51 ATOM 1193 OE2 GLU 75 -22.853 11.480 -12.736 1.00 1.53 ATOM 1194 C GLU 75 -25.225 8.557 -16.676 1.00 44.04 ATOM 1195 O GLU 75 -25.851 9.445 -17.250 1.00 62.11 ATOM 1196 N VAL 76 -24.579 7.594 -17.335 1.00 13.30 ATOM 1197 HN VAL 76 -24.038 6.947 -16.831 1.00 38.16 ATOM 1198 CA VAL 76 -24.647 7.484 -18.800 1.00 2.33 ATOM 1199 HA VAL 76 -24.314 8.425 -19.218 1.00 3.43 ATOM 1200 CB VAL 76 -23.723 6.358 -19.336 1.00 11.21 ATOM 1201 HB VAL 76 -24.036 5.424 -18.887 1.00 13.44 ATOM 1202 CG1 VAL 76 -23.853 6.219 -20.853 1.00 12.31 ATOM 1203 HG11 VAL 76 -23.575 7.149 -21.329 1.00 20.21 ATOM 1204 HG12 VAL 76 -24.875 5.978 -21.106 1.00 23.33 ATOM 1205 HG13 VAL 76 -23.204 5.429 -21.199 1.00 22.14 ATOM 1206 CG2 VAL 76 -22.266 6.610 -18.940 1.00 22.34 ATOM 1207 HG21 VAL 76 -22.183 6.630 -17.863 1.00 43.34 ATOM 1208 HG22 VAL 76 -21.938 7.558 -19.343 1.00 20.43 ATOM 1209 HG23 VAL 76 -21.643 5.818 -19.333 1.00 23.21 ATOM 1210 C VAL 76 -26.087 7.218 -19.270 1.00 13.00 ATOM 1211 O VAL 76 -26.568 7.830 -20.227 1.00 14.43 ATOM 1212 N ILE 77 -26.772 6.308 -18.584 1.00 14.33 ATOM 1213 HN ILE 77 -26.332 5.845 -17.839 1.00 38.16 ATOM 1214 CA ILE 77 -28.161 5.971 -18.907 1.00 61.12 ATOM 1215 HA ILE 77 -28.200 5.692 -19.952 1.00 10.23 ATOM 1216 CB ILE 77 -28.642 4.761 -18.069 1.00 20.13 ATOM 1217 HB ILE 77 -28.528 5.013 -17.023 1.00 40.32 ATOM 1218 CG1 ILE 77 -27.782 3.521 -18.382 1.00 21.03 ATOM 1219 HG11 ILE 77 -26.749 3.739 -18.148 1.00 38.16 ATOM 1220 HG12 ILE 77 -27.862 3.285 -19.434 1.00 0.35 ATOM 1221 CG2 ILE 77 -30.119 4.471 -18.326 1.00 21.25 ATOM 1222 HG21 ILE 77 -30.263 4.230 -19.369 1.00 73.21 ATOM 1223 HG22 ILE 77 -30.709 5.341 -18.074 1.00 73.50 ATOM 1224 HG23 ILE 77 -30.435 3.635 -17.717 1.00 35.31 ATOM 1225 CD1 ILE 77 -28.180 2.282 -17.605 1.00 15.15 ATOM 1226 HD11 ILE 77 -27.537 1.461 -17.886 1.00 41.25 ATOM 1227 HD12 ILE 77 -29.206 2.029 -17.828 1.00 3.53 ATOM 1228 HD13 ILE 77 -28.076 2.472 -16.546 1.00 41.21 ATOM 1229 C ILE 77 -29.099 7.172 -18.683 1.00 43.15 ATOM 1230 O ILE 77 -29.950 7.474 -19.522 1.00 32.05 ATOM 1231 N ASN 78 -28.933 7.860 -17.552 1.00 63.12 ATOM 1232 HN ASN 78 -28.274 7.545 -16.896 1.00 38.16 ATOM 1233 CA ASN 78 -29.716 9.070 -17.259 1.00 5.33 ATOM 1234 HA ASN 78 -30.762 8.814 -17.361 1.00 32.53 ATOM 1235 CB ASN 78 -29.459 9.545 -15.824 1.00 0.43 ATOM 1236 HB1 ASN 78 -29.929 10.508 -15.679 1.00 38.16 ATOM 1237 HB2 ASN 78 -28.394 9.643 -15.669 1.00 21.14 ATOM 1238 CG ASN 78 -30.012 8.581 -14.788 1.00 43.41 ATOM 1239 OD1 ASN 78 -30.997 7.893 -15.028 1.00 30.21 ATOM 1240 ND2 ASN 78 -29.394 8.525 -13.625 1.00 51.43 ATOM 1241 HD21 ASN 78 -28.617 9.099 -13.481 1.00 32.35 ATOM 1242 HD22 ASN 78 -29.748 7.910 -12.948 1.00 33.52 ATOM 1243 C ASN 78 -29.389 10.198 -18.248 1.00 24.10 ATOM 1244 O ASN 78 -30.271 10.947 -18.667 1.00 74.15 ATOM 1245 N PHE 79 -28.114 10.315 -18.610 1.00 40.50 ATOM 1246 HN PHE 79 -27.447 9.735 -18.187 1.00 38.16 ATOM 1247 CA PHE 79 -27.672 11.287 -19.614 1.00 42.02 ATOM 1248 HA PHE 79 -27.937 12.275 -19.265 1.00 1.34 ATOM 1249 CB PHE 79 -26.146 11.200 -19.779 1.00 72.51 ATOM 1250 HB1 PHE 79 -25.891 10.215 -20.145 1.00 38.16 ATOM 1251 HB2 PHE 79 -25.683 11.343 -18.812 1.00 62.20 ATOM 1252 CG PHE 79 -25.557 12.218 -20.726 1.00 14.00 ATOM 1253 CD1 PHE 79 -25.181 11.857 -22.013 1.00 43.25 ATOM 1254 HD1 PHE 79 -25.320 10.836 -22.339 1.00 2.43 ATOM 1255 CD2 PHE 79 -25.373 13.533 -20.325 1.00 1.14 ATOM 1256 HD2 PHE 79 -25.660 13.828 -19.326 1.00 24.14 ATOM 1257 CE1 PHE 79 -24.636 12.788 -22.878 1.00 12.13 ATOM 1258 HE1 PHE 79 -24.346 12.493 -23.877 1.00 14.42 ATOM 1259 CE2 PHE 79 -24.829 14.466 -21.186 1.00 3.31 ATOM 1260 HE2 PHE 79 -24.692 15.486 -20.859 1.00 13.34 ATOM 1261 CZ PHE 79 -24.460 14.095 -22.464 1.00 75.24 ATOM 1262 HZ PHE 79 -24.034 14.825 -23.138 1.00 63.22 ATOM 1263 C PHE 79 -28.372 11.025 -20.957 1.00 53.11 ATOM 1264 O PHE 79 -28.941 11.930 -21.565 1.00 63.41 ATOM 1265 N TRP 80 -28.338 9.767 -21.394 1.00 14.31 ATOM 1266 HN TRP 80 -27.851 9.099 -20.867 1.00 38.16 ATOM 1267 CA TRP 80 -28.993 9.346 -22.638 1.00 63.34 ATOM 1268 HA TRP 80 -28.563 9.918 -23.449 1.00 25.42 ATOM 1269 CB TRP 80 -28.723 7.856 -22.881 1.00 1.33 ATOM 1270 HB1 TRP 80 -29.073 7.291 -22.027 1.00 38.16 ATOM 1271 HB2 TRP 80 -27.659 7.704 -22.995 1.00 60.52 ATOM 1272 CG TRP 80 -29.401 7.313 -24.103 1.00 35.03 ATOM 1273 CD1 TRP 80 -28.920 7.318 -25.381 1.00 73.14 ATOM 1274 HD1 TRP 80 -27.962 7.726 -25.672 1.00 74.23 ATOM 1275 CD2 TRP 80 -30.690 6.690 -24.161 1.00 5.30 ATOM 1276 NE1 TRP 80 -29.828 6.735 -26.226 1.00 32.31 ATOM 1277 HE1 TRP 80 -29.709 6.618 -27.195 1.00 32.01 ATOM 1278 CE2 TRP 80 -30.922 6.341 -25.501 1.00 3.01 ATOM 1279 CE3 TRP 80 -31.669 6.392 -23.208 1.00 3.44 ATOM 1280 HE3 TRP 80 -31.528 6.642 -22.166 1.00 2.32 ATOM 1281 CZ2 TRP 80 -32.089 5.711 -25.911 1.00 70.42 ATOM 1282 HZ2 TRP 80 -32.259 5.444 -26.943 1.00 64.20 ATOM 1283 CZ3 TRP 80 -32.830 5.767 -23.617 1.00 42.50 ATOM 1284 HZ3 TRP 80 -33.597 5.527 -22.894 1.00 12.10 ATOM 1285 CH2 TRP 80 -33.030 5.431 -24.959 1.00 33.35 ATOM 1286 HH2 TRP 80 -33.953 4.942 -25.239 1.00 31.50 ATOM 1287 C TRP 80 -30.511 9.607 -22.597 1.00 41.30 ATOM 1288 O TRP 80 -31.071 10.222 -23.508 1.00 45.21 ATOM 1289 N GLN 81 -31.173 9.127 -21.540 1.00 74.32 ATOM 1290 HN GLN 81 -30.679 8.620 -20.860 1.00 38.16 ATOM 1291 CA GLN 81 -32.619 9.334 -21.367 1.00 23.53 ATOM 1292 HA GLN 81 -33.121 8.833 -22.182 1.00 22.12 ATOM 1293 CB GLN 81 -33.084 8.712 -20.035 1.00 10.23 ATOM 1294 HB1 GLN 81 -32.523 9.155 -19.225 1.00 38.16 ATOM 1295 HB2 GLN 81 -32.870 7.652 -20.059 1.00 53.33 ATOM 1296 CG GLN 81 -34.574 8.884 -19.739 1.00 71.44 ATOM 1297 HG1 GLN 81 -34.830 9.931 -19.835 1.00 38.16 ATOM 1298 HG2 GLN 81 -34.766 8.563 -18.725 1.00 54.01 ATOM 1299 CD GLN 81 -35.463 8.078 -20.676 1.00 3.15 ATOM 1300 OE1 GLN 81 -35.872 8.550 -21.731 1.00 51.11 ATOM 1301 NE2 GLN 81 -35.770 6.853 -20.296 1.00 54.32 ATOM 1302 HE21 GLN 81 -35.415 6.529 -19.440 1.00 1.41 ATOM 1303 HE22 GLN 81 -36.342 6.323 -20.883 1.00 2.14 ATOM 1304 C GLN 81 -32.967 10.832 -21.415 1.00 74.14 ATOM 1305 O GLN 81 -33.950 11.241 -22.040 1.00 3.32 ATOM 1306 N ASP 82 -32.134 11.640 -20.768 1.00 70.12 ATOM 1307 HN ASP 82 -31.389 11.242 -20.264 1.00 38.16 ATOM 1308 CA ASP 82 -32.278 13.097 -20.774 1.00 14.24 ATOM 1309 HA ASP 82 -33.219 13.343 -20.301 1.00 43.02 ATOM 1310 CB ASP 82 -31.126 13.706 -19.961 1.00 70.34 ATOM 1311 HB1 ASP 82 -30.191 13.472 -20.450 1.00 38.16 ATOM 1312 HB2 ASP 82 -31.122 13.265 -18.973 1.00 20.04 ATOM 1313 CG ASP 82 -31.226 15.210 -19.809 1.00 71.33 ATOM 1314 OD1 ASP 82 -30.552 15.938 -20.569 1.00 72.42 ATOM 1315 OD2 ASP 82 -31.975 15.672 -18.923 1.00 74.11 ATOM 1316 C ASP 82 -32.279 13.649 -22.217 1.00 21.10 ATOM 1317 O ASP 82 -33.070 14.538 -22.567 1.00 3.42 ATOM 1318 N LEU 83 -31.401 13.097 -23.054 1.00 62.33 ATOM 1319 HN LEU 83 -30.803 12.394 -22.715 1.00 38.16 ATOM 1320 CA LEU 83 -31.289 13.511 -24.460 1.00 44.53 ATOM 1321 HA LEU 83 -31.233 14.591 -24.482 1.00 14.30 ATOM 1322 CB LEU 83 -30.009 12.940 -25.083 1.00 22.34 ATOM 1323 HB1 LEU 83 -29.913 13.339 -26.083 1.00 38.16 ATOM 1324 HB2 LEU 83 -30.117 11.865 -25.154 1.00 73.33 ATOM 1325 CG LEU 83 -28.711 13.241 -24.320 1.00 21.13 ATOM 1326 HG LEU 83 -28.766 12.777 -23.346 1.00 31.31 ATOM 1327 CD1 LEU 83 -27.514 12.642 -25.044 1.00 64.11 ATOM 1328 HD11 LEU 83 -27.460 13.040 -26.047 1.00 62.42 ATOM 1329 HD12 LEU 83 -27.623 11.568 -25.088 1.00 10.53 ATOM 1330 HD13 LEU 83 -26.608 12.888 -24.510 1.00 65.12 ATOM 1331 CD2 LEU 83 -28.529 14.742 -24.112 1.00 73.02 ATOM 1332 HD21 LEU 83 -29.342 15.124 -23.507 1.00 35.22 ATOM 1333 HD22 LEU 83 -28.526 15.247 -25.068 1.00 42.33 ATOM 1334 HD23 LEU 83 -27.592 14.926 -23.606 1.00 70.32 ATOM 1335 C LEU 83 -32.503 13.061 -25.289 1.00 42.03 ATOM 1336 O LEU 83 -33.044 13.839 -26.073 1.00 15.50 ATOM 1337 N LYS 84 -32.922 11.806 -25.109 1.00 44.21 ATOM 1338 HN LYS 84 -32.455 11.242 -24.452 1.00 38.16 ATOM 1339 CA LYS 84 -34.053 11.234 -25.862 1.00 24.00 ATOM 1340 HA LYS 84 -33.779 11.230 -26.908 1.00 73.33 ATOM 1341 CB LYS 84 -34.303 9.781 -25.413 1.00 33.21 ATOM 1342 HB1 LYS 84 -34.476 9.774 -24.345 1.00 38.16 ATOM 1343 HB2 LYS 84 -33.420 9.195 -25.624 1.00 52.34 ATOM 1344 CG LYS 84 -35.497 9.106 -26.094 1.00 54.33 ATOM 1345 HG1 LYS 84 -36.371 9.727 -25.956 1.00 38.16 ATOM 1346 HG2 LYS 84 -35.666 8.146 -25.625 1.00 41.14 ATOM 1347 CD LYS 84 -35.275 8.888 -27.594 1.00 41.31 ATOM 1348 HD1 LYS 84 -34.899 9.805 -28.029 1.00 38.16 ATOM 1349 HD2 LYS 84 -36.221 8.639 -28.051 1.00 35.32 ATOM 1350 CE LYS 84 -34.282 7.759 -27.877 1.00 23.12 ATOM 1351 HE1 LYS 84 -33.363 7.959 -27.342 1.00 38.16 ATOM 1352 HE2 LYS 84 -34.078 7.731 -28.939 1.00 33.20 ATOM 1353 NZ LYS 84 -34.808 6.428 -27.454 1.00 40.34 ATOM 1354 HZ1 LYS 84 -35.007 6.426 -26.434 1.00 55.55 ATOM 1355 HZ2 LYS 84 -34.114 5.680 -27.660 1.00 45.42 ATOM 1356 HZ3 LYS 84 -35.689 6.211 -27.965 1.00 21.45 ATOM 1357 C LYS 84 -35.341 12.066 -25.695 1.00 33.33 ATOM 1358 O LYS 84 -36.121 12.218 -26.639 1.00 21.13 ATOM 1359 N ASN 85 -35.558 12.602 -24.494 1.00 44.35 ATOM 1360 HN ASN 85 -34.903 12.447 -23.778 1.00 38.16 ATOM 1361 CA ASN 85 -36.756 13.408 -24.214 1.00 60.05 ATOM 1362 HA ASN 85 -37.586 12.937 -24.723 1.00 70.01 ATOM 1363 CB ASN 85 -37.057 13.422 -22.709 1.00 62.40 ATOM 1364 HB1 ASN 85 -37.804 14.175 -22.502 1.00 38.16 ATOM 1365 HB2 ASN 85 -36.153 13.663 -22.167 1.00 53.30 ATOM 1366 CG ASN 85 -37.574 12.082 -22.216 1.00 45.41 ATOM 1367 OD1 ASN 85 -38.774 11.824 -22.225 1.00 34.01 ATOM 1368 ND2 ASN 85 -36.682 11.222 -21.777 1.00 4.32 ATOM 1369 HD21 ASN 85 -35.742 11.485 -21.786 1.00 50.22 ATOM 1370 HD22 ASN 85 -36.998 10.349 -21.463 1.00 23.20 ATOM 1371 C ASN 85 -36.632 14.852 -24.735 1.00 63.13 ATOM 1372 O ASN 85 -37.611 15.426 -25.216 1.00 50.31 ATOM 1373 N GLN 86 -35.441 15.446 -24.631 1.00 33.54 ATOM 1374 HN GLN 86 -34.686 14.944 -24.248 1.00 38.16 ATOM 1375 CA GLN 86 -35.242 16.848 -25.050 1.00 34.33 ATOM 1376 HA GLN 86 -36.190 17.358 -24.944 1.00 54.24 ATOM 1377 CB GLN 86 -34.221 17.530 -24.132 1.00 13.34 ATOM 1378 HB1 GLN 86 -34.049 18.537 -24.489 1.00 38.16 ATOM 1379 HB2 GLN 86 -33.291 16.980 -24.175 1.00 24.13 ATOM 1380 CG GLN 86 -34.660 17.611 -22.676 1.00 44.30 ATOM 1381 HG1 GLN 86 -34.873 16.613 -22.318 1.00 38.16 ATOM 1382 HG2 GLN 86 -35.556 18.213 -22.613 1.00 52.44 ATOM 1383 CD GLN 86 -33.595 18.229 -21.792 1.00 25.32 ATOM 1384 OE1 GLN 86 -33.559 19.437 -21.581 1.00 62.34 ATOM 1385 NE2 GLN 86 -32.701 17.405 -21.295 1.00 32.13 ATOM 1386 HE21 GLN 86 -32.769 16.455 -21.521 1.00 32.32 ATOM 1387 HE22 GLN 86 -32.005 17.771 -20.715 1.00 64.03 ATOM 1388 C GLN 86 -34.784 16.981 -26.515 1.00 51.14 ATOM 1389 O GLN 86 -34.817 18.078 -27.077 1.00 34.24 ATOM 1390 N ASN 87 -34.355 15.874 -27.123 1.00 4.42 ATOM 1391 HN ASN 87 -34.403 15.023 -26.642 1.00 38.16 ATOM 1392 CA ASN 87 -33.829 15.886 -28.501 1.00 4.12 ATOM 1393 HA ASN 87 -33.487 14.884 -28.723 1.00 3.41 ATOM 1394 CB ASN 87 -34.940 16.264 -29.494 1.00 75.24 ATOM 1395 HB1 ASN 87 -34.517 16.347 -30.486 1.00 38.16 ATOM 1396 HB2 ASN 87 -35.361 17.217 -29.208 1.00 12.52 ATOM 1397 CG ASN 87 -36.055 15.238 -29.529 1.00 55.25 ATOM 1398 OD1 ASN 87 -37.025 15.324 -28.781 1.00 64.44 ATOM 1399 ND2 ASN 87 -35.927 14.258 -30.397 1.00 23.22 ATOM 1400 HD21 ASN 87 -35.130 14.243 -30.967 1.00 41.10 ATOM 1401 HD22 ASN 87 -36.636 13.585 -30.440 1.00 3.40 ATOM 1402 C ASN 87 -32.635 16.850 -28.642 1.00 0.52 ATOM 1403 O ASN 87 -32.498 17.538 -29.651 1.00 63.43 ATOM 1404 N LYS 88 -31.758 16.865 -27.636 1.00 64.35 ATOM 1405 HN LYS 88 -31.888 16.244 -26.892 1.00 38.16 ATOM 1406 CA LYS 88 -30.609 17.790 -27.603 1.00 33.55 ATOM 1407 HA LYS 88 -31.010 18.793 -27.602 1.00 21.42 ATOM 1408 CB LYS 88 -29.810 17.592 -26.305 1.00 4.33 ATOM 1409 HB1 LYS 88 -28.811 17.987 -26.443 1.00 38.16 ATOM 1410 HB2 LYS 88 -29.739 16.533 -26.100 1.00 4.01 ATOM 1411 CG LYS 88 -30.429 18.278 -25.087 1.00 45.23 ATOM 1412 HG1 LYS 88 -31.453 17.946 -24.983 1.00 38.16 ATOM 1413 HG2 LYS 88 -30.412 19.348 -25.243 1.00 12.32 ATOM 1414 CD LYS 88 -29.667 17.950 -23.803 1.00 32.30 ATOM 1415 HD1 LYS 88 -28.605 18.035 -23.993 1.00 38.16 ATOM 1416 HD2 LYS 88 -29.897 16.935 -23.510 1.00 23.33 ATOM 1417 CE LYS 88 -30.038 18.884 -22.657 1.00 22.54 ATOM 1418 HE1 LYS 88 -29.600 18.506 -21.742 1.00 38.16 ATOM 1419 HE2 LYS 88 -31.113 18.903 -22.556 1.00 74.14 ATOM 1420 NZ LYS 88 -29.550 20.268 -22.890 1.00 63.33 ATOM 1421 HZ1 LYS 88 -29.997 20.671 -23.737 1.00 23.44 ATOM 1422 HZ2 LYS 88 -28.518 20.264 -23.030 1.00 15.33 ATOM 1423 HZ3 LYS 88 -29.772 20.870 -22.072 1.00 4.33 ATOM 1424 C LYS 88 -29.676 17.653 -28.825 1.00 54.01 ATOM 1425 O LYS 88 -28.995 18.609 -29.192 1.00 31.23 ATOM 1426 N GLN 89 -29.639 16.468 -29.442 1.00 14.11 ATOM 1427 HN GLN 89 -30.186 15.736 -29.090 1.00 38.16 ATOM 1428 CA GLN 89 -28.819 16.233 -30.650 1.00 61.30 ATOM 1429 HA GLN 89 -28.944 15.198 -30.931 1.00 63.12 ATOM 1430 CB GLN 89 -29.310 17.121 -31.810 1.00 23.51 ATOM 1431 HB1 GLN 89 -28.681 16.948 -32.673 1.00 38.16 ATOM 1432 HB2 GLN 89 -29.217 18.158 -31.516 1.00 3.12 ATOM 1433 CG GLN 89 -30.756 16.874 -32.220 1.00 63.21 ATOM 1434 HG1 GLN 89 -31.389 16.985 -31.352 1.00 38.16 ATOM 1435 HG2 GLN 89 -30.844 15.867 -32.602 1.00 53.15 ATOM 1436 CD GLN 89 -31.233 17.841 -33.291 1.00 22.31 ATOM 1437 OE1 GLN 89 -30.773 18.977 -33.380 1.00 34.43 ATOM 1438 NE2 GLN 89 -32.161 17.401 -34.110 1.00 2.25 ATOM 1439 HE21 GLN 89 -32.486 16.486 -33.990 1.00 34.10 ATOM 1440 HE22 GLN 89 -32.489 18.009 -34.804 1.00 22.34 ATOM 1441 C GLN 89 -27.316 16.495 -30.408 1.00 31.32 ATOM 1442 O GLN 89 -26.574 16.786 -31.348 1.00 3.41 ATOM 1443 N ILE 90 -26.868 16.368 -29.159 1.00 43.45 ATOM 1444 HN ILE 90 -27.488 16.083 -28.460 1.00 38.16 ATOM 1445 CA ILE 90 -25.468 16.656 -28.807 1.00 13.13 ATOM 1446 HA ILE 90 -25.249 17.650 -29.177 1.00 53.24 ATOM 1447 CB ILE 90 -25.256 16.674 -27.263 1.00 4.10 ATOM 1448 HB ILE 90 -24.200 16.831 -27.075 1.00 13.14 ATOM 1449 CG1 ILE 90 -25.691 15.347 -26.599 1.00 43.53 ATOM 1450 HG11 ILE 90 -26.603 15.002 -27.068 1.00 38.16 ATOM 1451 HG12 ILE 90 -25.882 15.523 -25.550 1.00 1.11 ATOM 1452 CG2 ILE 90 -26.012 17.848 -26.642 1.00 53.32 ATOM 1453 HG21 ILE 90 -27.068 17.752 -26.854 1.00 33.03 ATOM 1454 HG22 ILE 90 -25.646 18.774 -27.060 1.00 23.22 ATOM 1455 HG23 ILE 90 -25.859 17.852 -25.572 1.00 73.44 ATOM 1456 CD1 ILE 90 -24.672 14.227 -26.686 1.00 73.21 ATOM 1457 HD11 ILE 90 -25.043 13.362 -26.156 1.00 52.32 ATOM 1458 HD12 ILE 90 -23.741 14.549 -26.242 1.00 54.34 ATOM 1459 HD13 ILE 90 -24.507 13.968 -27.722 1.00 33.34 ATOM 1460 C ILE 90 -24.472 15.682 -29.469 1.00 24.14 ATOM 1461 O ILE 90 -24.853 14.632 -29.994 1.00 21.13 ATOM 1462 N SER 91 -23.191 16.042 -29.430 1.00 44.30 ATOM 1463 HN SER 91 -22.947 16.873 -28.967 1.00 38.16 ATOM 1464 CA SER 91 -22.134 15.235 -30.058 1.00 23.10 ATOM 1465 HA SER 91 -22.580 14.690 -30.878 1.00 53.55 ATOM 1466 CB SER 91 -21.027 16.140 -30.619 1.00 2.43 ATOM 1467 HB1 SER 91 -20.655 16.783 -29.833 1.00 38.16 ATOM 1468 HB2 SER 91 -21.429 16.748 -31.416 1.00 2.32 ATOM 1469 OG SER 91 -19.945 15.373 -31.131 1.00 11.13 ATOM 1470 HG SER 91 -20.219 14.932 -31.946 1.00 15.31 ATOM 1471 C SER 91 -21.511 14.225 -29.084 1.00 73.23 ATOM 1472 O SER 91 -21.514 14.425 -27.867 1.00 53.35 ATOM 1473 N MET 92 -20.959 13.147 -29.643 1.00 5.54 ATOM 1474 HN MET 92 -21.028 13.038 -30.615 1.00 38.16 ATOM 1475 CA MET 92 -20.249 12.118 -28.869 1.00 42.11 ATOM 1476 HA MET 92 -20.973 11.628 -28.230 1.00 14.13 ATOM 1477 CB MET 92 -19.661 11.078 -29.845 1.00 60.14 ATOM 1478 HB1 MET 92 -19.089 11.603 -30.599 1.00 38.16 ATOM 1479 HB2 MET 92 -20.476 10.563 -30.331 1.00 30.50 ATOM 1480 CG MET 92 -18.752 10.027 -29.218 1.00 30.13 ATOM 1481 HG1 MET 92 -18.627 9.213 -29.919 1.00 38.16 ATOM 1482 HG2 MET 92 -19.217 9.654 -28.317 1.00 71.23 ATOM 1483 SD MET 92 -17.124 10.682 -28.797 1.00 13.35 ATOM 1484 CE MET 92 -16.222 9.169 -28.476 1.00 3.54 ATOM 1485 HE1 MET 92 -15.202 9.408 -28.219 1.00 51.33 ATOM 1486 HE2 MET 92 -16.235 8.547 -29.360 1.00 42.21 ATOM 1487 HE3 MET 92 -16.685 8.642 -27.657 1.00 53.24 ATOM 1488 C MET 92 -19.149 12.739 -27.986 1.00 42.45 ATOM 1489 O MET 92 -18.943 12.323 -26.842 1.00 55.51 ATOM 1490 N ALA 93 -18.469 13.759 -28.516 1.00 24.13 ATOM 1491 HN ALA 93 -18.681 14.045 -29.430 1.00 38.16 ATOM 1492 CA ALA 93 -17.412 14.461 -27.777 1.00 12.11 ATOM 1493 HA ALA 93 -16.658 13.735 -27.502 1.00 0.42 ATOM 1494 CB ALA 93 -16.754 15.507 -28.669 1.00 21.43 ATOM 1495 HB1 ALA 93 -16.376 15.032 -29.563 1.00 31.24 ATOM 1496 HB2 ALA 93 -15.937 15.973 -28.137 1.00 1.13 ATOM 1497 HB3 ALA 93 -17.481 16.259 -28.941 1.00 54.22 ATOM 1498 C ALA 93 -17.953 15.118 -26.497 1.00 35.53 ATOM 1499 O ALA 93 -17.294 15.116 -25.456 1.00 44.44 ATOM 1500 N GLU 94 -19.165 15.665 -26.579 1.00 12.54 ATOM 1501 HN GLU 94 -19.643 15.632 -27.432 1.00 38.16 ATOM 1502 CA GLU 94 -19.805 16.310 -25.425 1.00 31.43 ATOM 1503 HA GLU 94 -19.119 17.057 -25.046 1.00 64.04 ATOM 1504 CB GLU 94 -21.103 17.005 -25.859 1.00 51.22 ATOM 1505 HB1 GLU 94 -21.546 17.487 -24.999 1.00 38.16 ATOM 1506 HB2 GLU 94 -21.790 16.259 -26.236 1.00 4.43 ATOM 1507 CG GLU 94 -20.893 18.060 -26.945 1.00 40.31 ATOM 1508 HG1 GLU 94 -20.541 17.567 -27.840 1.00 38.16 ATOM 1509 HG2 GLU 94 -20.144 18.762 -26.608 1.00 20.42 ATOM 1510 CD GLU 94 -22.159 18.830 -27.282 1.00 23.00 ATOM 1511 OE1 GLU 94 -22.649 19.581 -26.412 1.00 1.35 ATOM 1512 OE2 GLU 94 -22.658 18.705 -28.420 1.00 11.40 ATOM 1513 C GLU 94 -20.086 15.295 -24.304 1.00 41.33 ATOM 1514 O GLU 94 -20.014 15.623 -23.116 1.00 34.43 ATOM 1515 N ALA 95 -20.405 14.061 -24.690 1.00 70.22 ATOM 1516 HN ALA 95 -20.546 13.883 -25.646 1.00 38.16 ATOM 1517 CA ALA 95 -20.561 12.967 -23.726 1.00 22.31 ATOM 1518 HA ALA 95 -21.222 13.310 -22.939 1.00 21.05 ATOM 1519 CB ALA 95 -21.207 11.760 -24.397 1.00 21.35 ATOM 1520 HB1 ALA 95 -21.348 10.973 -23.670 1.00 44.00 ATOM 1521 HB2 ALA 95 -20.569 11.403 -25.192 1.00 31.15 ATOM 1522 HB3 ALA 95 -22.165 12.047 -24.808 1.00 12.11 ATOM 1523 C ALA 95 -19.206 12.587 -23.107 1.00 25.40 ATOM 1524 O ALA 95 -19.109 12.296 -21.912 1.00 54.30 ATOM 1525 N GLN 96 -18.157 12.603 -23.930 1.00 72.00 ATOM 1526 HN GLN 96 -18.304 12.788 -24.884 1.00 38.16 ATOM 1527 CA GLN 96 -16.788 12.351 -23.457 1.00 62.10 ATOM 1528 HA GLN 96 -16.786 11.392 -22.957 1.00 71.31 ATOM 1529 CB GLN 96 -15.823 12.288 -24.649 1.00 53.31 ATOM 1530 HB1 GLN 96 -14.808 12.347 -24.282 1.00 38.16 ATOM 1531 HB2 GLN 96 -16.013 13.134 -25.294 1.00 34.02 ATOM 1532 CG GLN 96 -15.961 11.017 -25.476 1.00 63.14 ATOM 1533 HG1 GLN 96 -15.414 11.142 -26.400 1.00 38.16 ATOM 1534 HG2 GLN 96 -17.006 10.854 -25.700 1.00 23.41 ATOM 1535 CD GLN 96 -15.420 9.795 -24.753 1.00 21.21 ATOM 1536 OE1 GLN 96 -14.263 9.423 -24.917 1.00 55.11 ATOM 1537 NE2 GLN 96 -16.241 9.177 -23.933 1.00 4.25 ATOM 1538 HE21 GLN 96 -17.147 9.528 -23.835 1.00 72.35 ATOM 1539 HE22 GLN 96 -15.902 8.397 -23.443 1.00 71.43 ATOM 1540 C GLN 96 -16.328 13.422 -22.458 1.00 10.34 ATOM 1541 O GLN 96 -15.556 13.138 -21.541 1.00 10.21 ATOM 1542 N GLY 97 -16.802 14.652 -22.645 1.00 44.10 ATOM 1543 HN GLY 97 -17.340 14.841 -23.444 1.00 38.16 ATOM 1544 CA GLY 97 -16.518 15.719 -21.691 1.00 32.45 ATOM 1545 HA1 GLY 97 -16.886 16.652 -22.094 1.00 38.16 ATOM 1546 HA2 GLY 97 -15.448 15.796 -21.558 1.00 3.43 ATOM 1547 C GLY 97 -17.169 15.480 -20.330 1.00 32.52 ATOM 1548 O GLY 97 -16.748 16.047 -19.320 1.00 20.01 ATOM 1549 N LYS 98 -18.203 14.639 -20.307 1.00 74.21 ATOM 1550 HN LYS 98 -18.508 14.240 -21.150 1.00 38.16 ATOM 1551 CA LYS 98 -18.908 14.304 -19.065 1.00 72.22 ATOM 1552 HA LYS 98 -18.797 15.135 -18.382 1.00 42.50 ATOM 1553 CB LYS 98 -20.408 14.095 -19.362 1.00 0.14 ATOM 1554 HB1 LYS 98 -20.568 13.059 -19.632 1.00 38.16 ATOM 1555 HB2 LYS 98 -20.681 14.715 -20.204 1.00 1.33 ATOM 1556 CG LYS 98 -21.353 14.437 -18.205 1.00 64.24 ATOM 1557 HG1 LYS 98 -22.372 14.287 -18.535 1.00 38.16 ATOM 1558 HG2 LYS 98 -21.214 15.474 -17.939 1.00 15.45 ATOM 1559 CD LYS 98 -21.105 13.579 -16.970 1.00 44.45 ATOM 1560 HD1 LYS 98 -20.107 13.774 -16.604 1.00 38.16 ATOM 1561 HD2 LYS 98 -21.189 12.537 -17.245 1.00 22.22 ATOM 1562 CE LYS 98 -22.103 13.876 -15.860 1.00 51.21 ATOM 1563 HE1 LYS 98 -23.092 13.593 -16.193 1.00 38.16 ATOM 1564 HE2 LYS 98 -22.084 14.934 -15.647 1.00 10.22 ATOM 1565 NZ LYS 98 -21.779 13.127 -14.616 1.00 62.24 ATOM 1566 HZ1 LYS 98 -22.576 13.174 -13.948 1.00 14.12 ATOM 1567 HZ2 LYS 98 -20.939 13.537 -14.163 1.00 31.44 ATOM 1568 HZ3 LYS 98 -21.581 12.130 -14.835 1.00 23.24 ATOM 1569 C LYS 98 -18.305 13.041 -18.414 1.00 53.11 ATOM 1570 O LYS 98 -18.149 12.970 -17.192 1.00 53.33 ATOM 1571 N PHE 99 -17.971 12.046 -19.237 1.00 74.05 ATOM 1572 HN PHE 99 -18.068 12.176 -20.203 1.00 38.16 ATOM 1573 CA PHE 99 -17.464 10.756 -18.738 1.00 44.11 ATOM 1574 HA PHE 99 -17.471 10.790 -17.655 1.00 34.45 ATOM 1575 CB PHE 99 -18.390 9.620 -19.196 1.00 32.44 ATOM 1576 HB1 PHE 99 -18.091 8.701 -18.712 1.00 38.16 ATOM 1577 HB2 PHE 99 -18.300 9.500 -20.267 1.00 71.33 ATOM 1578 CG PHE 99 -19.842 9.864 -18.874 1.00 54.34 ATOM 1579 CD1 PHE 99 -20.728 10.274 -19.862 1.00 41.22 ATOM 1580 HD1 PHE 99 -20.371 10.406 -20.874 1.00 60.31 ATOM 1581 CD2 PHE 99 -20.319 9.698 -17.582 1.00 60.54 ATOM 1582 HD2 PHE 99 -19.644 9.378 -16.804 1.00 45.43 ATOM 1583 CE1 PHE 99 -22.057 10.514 -19.568 1.00 1.10 ATOM 1584 HE1 PHE 99 -22.735 10.833 -20.346 1.00 5.32 ATOM 1585 CE2 PHE 99 -21.647 9.934 -17.284 1.00 43.25 ATOM 1586 HE2 PHE 99 -22.005 9.801 -16.274 1.00 4.22 ATOM 1587 CZ PHE 99 -22.517 10.344 -18.277 1.00 63.31 ATOM 1588 HZ PHE 99 -23.556 10.531 -18.044 1.00 31.04 ATOM 1589 C PHE 99 -16.019 10.487 -19.210 1.00 14.01 ATOM 1590 O PHE 99 -15.796 9.767 -20.187 1.00 75.41 ATOM 1591 N PRO 100 -15.014 11.040 -18.502 1.00 33.32 ATOM 1592 CA PRO 100 -13.601 10.971 -18.932 1.00 64.51 ATOM 1593 HA PRO 100 -13.483 11.368 -19.931 1.00 52.31 ATOM 1594 CB PRO 100 -12.885 11.896 -17.935 1.00 75.24 ATOM 1595 HB1 PRO 100 -12.808 12.889 -18.354 1.00 38.16 ATOM 1596 HB2 PRO 100 -11.895 11.514 -17.722 1.00 73.35 ATOM 1597 CG PRO 100 -13.750 11.885 -16.720 1.00 65.42 ATOM 1598 HG1 PRO 100 -13.620 12.805 -16.166 1.00 38.16 ATOM 1599 HG2 PRO 100 -13.502 11.035 -16.098 1.00 51.13 ATOM 1600 CD PRO 100 -15.165 11.771 -17.224 1.00 61.24 ATOM 1601 HD1 PRO 100 -15.591 12.751 -17.390 1.00 38.16 ATOM 1602 HD2 PRO 100 -15.771 11.209 -16.525 1.00 51.14 ATOM 1603 C PRO 100 -12.998 9.554 -18.889 1.00 53.24 ATOM 1604 O PRO 100 -12.084 9.237 -19.655 1.00 54.10 ATOM 1605 N GLU 101 -13.496 8.705 -17.994 1.00 40.42 ATOM 1606 HN GLU 101 -14.228 8.999 -17.410 1.00 38.16 ATOM 1607 CA GLU 101 -12.968 7.338 -17.851 1.00 25.53 ATOM 1608 HA GLU 101 -11.932 7.349 -18.162 1.00 62.33 ATOM 1609 CB GLU 101 -13.035 6.892 -16.383 1.00 12.41 ATOM 1610 HB1 GLU 101 -12.655 5.882 -16.311 1.00 38.16 ATOM 1611 HB2 GLU 101 -14.067 6.900 -16.065 1.00 35.41 ATOM 1612 CG GLU 101 -12.233 7.773 -15.430 1.00 52.01 ATOM 1613 HG1 GLU 101 -12.574 8.793 -15.530 1.00 38.16 ATOM 1614 HG2 GLU 101 -11.187 7.718 -15.700 1.00 21.10 ATOM 1615 CD GLU 101 -12.385 7.351 -13.978 1.00 21.11 ATOM 1616 OE1 GLU 101 -13.420 7.686 -13.365 1.00 42.33 ATOM 1617 OE2 GLU 101 -11.476 6.680 -13.445 1.00 54.31 ATOM 1618 C GLU 101 -13.724 6.328 -18.731 1.00 31.40 ATOM 1619 O GLU 101 -13.287 5.184 -18.889 1.00 2.22 ATOM 1620 N VAL 102 -14.840 6.752 -19.322 1.00 52.40 ATOM 1621 HN VAL 102 -15.084 7.703 -19.263 1.00 38.16 ATOM 1622 CA VAL 102 -15.698 5.835 -20.086 1.00 74.11 ATOM 1623 HA VAL 102 -15.537 4.836 -19.697 1.00 12.20 ATOM 1624 CB VAL 102 -17.196 6.182 -19.899 1.00 61.31 ATOM 1625 HB VAL 102 -17.366 7.180 -20.281 1.00 1.43 ATOM 1626 CG1 VAL 102 -18.084 5.214 -20.681 1.00 12.20 ATOM 1627 HG11 VAL 102 -17.905 4.203 -20.343 1.00 4.13 ATOM 1628 HG12 VAL 102 -17.856 5.285 -21.734 1.00 13.21 ATOM 1629 HG13 VAL 102 -19.123 5.467 -20.521 1.00 23.41 ATOM 1630 CG2 VAL 102 -17.566 6.173 -18.416 1.00 3.23 ATOM 1631 HG21 VAL 102 -18.610 6.426 -18.302 1.00 30.21 ATOM 1632 HG22 VAL 102 -16.962 6.897 -17.888 1.00 1.35 ATOM 1633 HG23 VAL 102 -17.388 5.189 -18.005 1.00 63.12 ATOM 1634 C VAL 102 -15.350 5.838 -21.586 1.00 0.04 ATOM 1635 O VAL 102 -15.256 6.893 -22.219 1.00 52.40 ATOM 1636 N VAL 103 -15.163 4.646 -22.149 1.00 33.52 ATOM 1637 HN VAL 103 -15.277 3.840 -21.601 1.00 38.16 ATOM 1638 CA VAL 103 -14.796 4.496 -23.563 1.00 73.30 ATOM 1639 HA VAL 103 -14.261 5.386 -23.865 1.00 72.13 ATOM 1640 CB VAL 103 -13.856 3.278 -23.768 1.00 70.04 ATOM 1641 HB VAL 103 -14.401 2.383 -23.500 1.00 34.33 ATOM 1642 CG1 VAL 103 -13.437 3.152 -25.233 1.00 33.33 ATOM 1643 HG11 VAL 103 -12.923 4.051 -25.543 1.00 13.22 ATOM 1644 HG12 VAL 103 -14.313 3.009 -25.849 1.00 34.03 ATOM 1645 HG13 VAL 103 -12.777 2.303 -25.349 1.00 51.15 ATOM 1646 CG2 VAL 103 -12.633 3.380 -22.854 1.00 73.35 ATOM 1647 HG21 VAL 103 -12.956 3.417 -21.822 1.00 11.05 ATOM 1648 HG22 VAL 103 -12.079 4.278 -23.087 1.00 3.44 ATOM 1649 HG23 VAL 103 -11.999 2.518 -23.001 1.00 34.21 ATOM 1650 C VAL 103 -16.036 4.334 -24.460 1.00 64.10 ATOM 1651 O VAL 103 -16.684 3.289 -24.461 1.00 11.22 ATOM 1652 N PHE 104 -16.360 5.372 -25.225 1.00 53.53 ATOM 1653 HN PHE 104 -15.814 6.185 -25.181 1.00 38.16 ATOM 1654 CA PHE 104 -17.500 5.325 -26.150 1.00 74.44 ATOM 1655 HA PHE 104 -18.255 4.687 -25.708 1.00 43.22 ATOM 1656 CB PHE 104 -18.096 6.730 -26.348 1.00 30.10 ATOM 1657 HB1 PHE 104 -18.696 6.734 -27.248 1.00 38.16 ATOM 1658 HB2 PHE 104 -17.290 7.440 -26.461 1.00 71.43 ATOM 1659 CG PHE 104 -18.967 7.203 -25.205 1.00 63.10 ATOM 1660 CD1 PHE 104 -18.467 7.289 -23.913 1.00 22.24 ATOM 1661 HD1 PHE 104 -17.441 7.008 -23.721 1.00 60.41 ATOM 1662 CD2 PHE 104 -20.288 7.571 -25.430 1.00 54.54 ATOM 1663 HD2 PHE 104 -20.692 7.509 -26.431 1.00 45.24 ATOM 1664 CE1 PHE 104 -19.263 7.729 -22.872 1.00 55.24 ATOM 1665 HE1 PHE 104 -18.859 7.790 -21.872 1.00 53.32 ATOM 1666 CE2 PHE 104 -21.089 8.010 -24.391 1.00 31.13 ATOM 1667 HE2 PHE 104 -22.114 8.292 -24.581 1.00 15.35 ATOM 1668 CZ PHE 104 -20.576 8.090 -23.111 1.00 52.40 ATOM 1669 HZ PHE 104 -21.200 8.434 -22.297 1.00 74.40 ATOM 1670 C PHE 104 -17.094 4.726 -27.506 1.00 64.42 ATOM 1671 O PHE 104 -15.941 4.846 -27.933 1.00 25.34 ATOM 1672 N SER 105 -18.048 4.084 -28.175 1.00 11.12 ATOM 1673 HN SER 105 -18.948 4.038 -27.791 1.00 38.16 ATOM 1674 CA SER 105 -17.797 3.439 -29.473 1.00 34.15 ATOM 1675 HA SER 105 -16.975 3.956 -29.949 1.00 33.05 ATOM 1676 CB SER 105 -17.409 1.967 -29.272 1.00 45.35 ATOM 1677 HB1 SER 105 -16.554 1.909 -28.613 1.00 38.16 ATOM 1678 HB2 SER 105 -17.154 1.532 -30.227 1.00 74.51 ATOM 1679 OG SER 105 -18.475 1.215 -28.702 1.00 62.11 ATOM 1680 HG SER 105 -18.473 1.329 -27.744 1.00 62.02 ATOM 1681 C SER 105 -19.023 3.521 -30.390 1.00 22.45 ATOM 1682 O SER 105 -20.104 3.946 -29.968 1.00 10.50 ATOM 1683 N GLY 106 -18.854 3.100 -31.643 1.00 21.51 ATOM 1684 HN GLY 106 -17.976 2.760 -31.920 1.00 38.16 ATOM 1685 CA GLY 106 -19.951 3.137 -32.606 1.00 64.14 ATOM 1686 HA1 GLY 106 -19.699 3.839 -33.388 1.00 38.16 ATOM 1687 HA2 GLY 106 -20.846 3.480 -32.109 1.00 72.13 ATOM 1688 C GLY 106 -20.232 1.778 -33.241 1.00 1.04 ATOM 1689 O GLY 106 -19.346 0.930 -33.333 1.00 51.25 ATOM 1690 N SER 107 -21.462 1.584 -33.715 1.00 11.13 ATOM 1691 HN SER 107 -22.108 2.322 -33.672 1.00 38.16 ATOM 1692 CA SER 107 -21.885 0.299 -34.304 1.00 73.22 ATOM 1693 HA SER 107 -21.448 -0.494 -33.716 1.00 34.31 ATOM 1694 CB SER 107 -23.412 0.174 -34.242 1.00 42.33 ATOM 1695 HB1 SER 107 -23.731 0.213 -33.210 1.00 38.16 ATOM 1696 HB2 SER 107 -23.714 -0.769 -34.674 1.00 2.13 ATOM 1697 OG SER 107 -24.047 1.226 -34.954 1.00 3.13 ATOM 1698 HG SER 107 -24.123 2.000 -34.388 1.00 53.21 ATOM 1699 C SER 107 -21.418 0.145 -35.760 1.00 21.30 ATOM 1700 O SER 107 -22.109 -0.455 -36.584 1.00 73.35 ATOM 1701 N ASN 108 -20.227 0.653 -36.064 1.00 62.14 ATOM 1702 HN ASN 108 -19.696 1.075 -35.356 1.00 38.16 ATOM 1703 CA ASN 108 -19.686 0.596 -37.424 1.00 52.34 ATOM 1704 HA ASN 108 -20.396 1.086 -38.076 1.00 62.22 ATOM 1705 CB ASN 108 -18.352 1.352 -37.489 1.00 20.03 ATOM 1706 HB1 ASN 108 -17.635 0.855 -36.851 1.00 38.16 ATOM 1707 HB2 ASN 108 -18.502 2.361 -37.131 1.00 40.21 ATOM 1708 CG ASN 108 -17.776 1.426 -38.895 1.00 71.31 ATOM 1709 OD1 ASN 108 -16.565 1.437 -39.082 1.00 14.25 ATOM 1710 ND2 ASN 108 -18.634 1.498 -39.896 1.00 41.41 ATOM 1711 HD21 ASN 108 -19.591 1.503 -39.693 1.00 51.24 ATOM 1712 HD22 ASN 108 -18.273 1.540 -40.805 1.00 25.22 ATOM 1713 C ASN 108 -19.506 -0.860 -37.898 1.00 24.25 ATOM 1714 O ASN 108 -19.873 -1.207 -39.024 1.00 54.02 ATOM 1715 N LEU 109 -18.947 -1.706 -37.034 1.00 10.54 ATOM 1716 HN LEU 109 -18.664 -1.374 -36.159 1.00 38.16 ATOM 1717 CA LEU 109 -18.753 -3.127 -37.354 1.00 11.10 ATOM 1718 HA LEU 109 -18.829 -3.235 -38.427 1.00 21.02 ATOM 1719 CB LEU 109 -17.360 -3.610 -36.912 1.00 23.52 ATOM 1720 HB1 LEU 109 -17.320 -4.683 -37.047 1.00 38.16 ATOM 1721 HB2 LEU 109 -17.249 -3.397 -35.858 1.00 5.23 ATOM 1722 CG LEU 109 -16.164 -2.988 -37.661 1.00 40.03 ATOM 1723 HG LEU 109 -16.387 -2.970 -38.719 1.00 25.31 ATOM 1724 CD1 LEU 109 -15.918 -1.545 -37.221 1.00 74.42 ATOM 1725 HD11 LEU 109 -16.804 -0.954 -37.407 1.00 11.53 ATOM 1726 HD12 LEU 109 -15.091 -1.134 -37.780 1.00 3.21 ATOM 1727 HD13 LEU 109 -15.685 -1.523 -36.166 1.00 24.13 ATOM 1728 CD2 LEU 109 -14.908 -3.836 -37.466 1.00 42.43 ATOM 1729 HD21 LEU 109 -15.072 -4.821 -37.879 1.00 65.13 ATOM 1730 HD22 LEU 109 -14.688 -3.922 -36.412 1.00 5.42 ATOM 1731 HD23 LEU 109 -14.075 -3.370 -37.971 1.00 21.02 ATOM 1732 C LEU 109 -19.836 -4.004 -36.705 1.00 3.32 ATOM 1733 O LEU 109 -20.637 -3.537 -35.892 1.00 62.13 ATOM 1734 N GLU 110 -19.837 -5.284 -37.061 1.00 60.34 ATOM 1735 HN GLU 110 -19.140 -5.607 -37.667 1.00 38.16 ATOM 1736 CA GLU 110 -20.846 -6.229 -36.581 1.00 11.55 ATOM 1737 HA GLU 110 -21.808 -5.743 -36.671 1.00 63.24 ATOM 1738 CB GLU 110 -20.859 -7.490 -37.464 1.00 25.00 ATOM 1739 HB1 GLU 110 -21.133 -8.344 -36.859 1.00 38.16 ATOM 1740 HB2 GLU 110 -19.865 -7.649 -37.859 1.00 32.45 ATOM 1741 CG GLU 110 -21.828 -7.408 -38.637 1.00 23.15 ATOM 1742 HG1 GLU 110 -21.755 -8.318 -39.215 1.00 38.16 ATOM 1743 HG2 GLU 110 -21.555 -6.565 -39.257 1.00 22.23 ATOM 1744 CD GLU 110 -23.268 -7.236 -38.177 1.00 5.31 ATOM 1745 OE1 GLU 110 -23.783 -8.131 -37.475 1.00 30.01 ATOM 1746 OE2 GLU 110 -23.890 -6.207 -38.500 1.00 3.12 ATOM 1747 C GLU 110 -20.646 -6.625 -35.111 1.00 54.21 ATOM 1748 O GLU 110 -19.669 -7.286 -34.749 1.00 45.30 ATOM 1749 N HIS 111 -21.585 -6.212 -34.267 1.00 32.13 ATOM 1750 HN HIS 111 -22.241 -5.553 -34.574 1.00 38.16 ATOM 1751 CA HIS 111 -21.642 -6.693 -32.885 1.00 31.14 ATOM 1752 HA HIS 111 -20.741 -7.264 -32.697 1.00 21.41 ATOM 1753 CB HIS 111 -21.698 -5.518 -31.895 1.00 44.12 ATOM 1754 HB1 HIS 111 -22.677 -5.061 -31.934 1.00 38.16 ATOM 1755 HB2 HIS 111 -20.952 -4.787 -32.169 1.00 54.30 ATOM 1756 CG HIS 111 -21.436 -5.939 -30.478 1.00 14.24 ATOM 1757 ND1 HIS 111 -20.172 -6.194 -30.001 1.00 75.02 ATOM 1758 HD1 HIS 111 -19.338 -6.105 -30.513 1.00 3.25 ATOM 1759 CD2 HIS 111 -22.280 -6.192 -29.446 1.00 62.21 ATOM 1760 HD2 HIS 111 -23.357 -6.091 -29.457 1.00 53.25 ATOM 1761 CE1 HIS 111 -20.245 -6.586 -28.747 1.00 43.12 ATOM 1762 HE1 HIS 111 -19.408 -6.855 -28.120 1.00 25.31 ATOM 1763 NE2 HIS 111 -21.513 -6.597 -28.382 1.00 61.31 ATOM 1764 HE2 HIS 111 -21.856 -7.093 -27.607 1.00 38.16 ATOM 1765 C HIS 111 -22.850 -7.624 -32.689 1.00 30.32 ATOM 1766 O HIS 111 -23.097 -8.117 -31.592 1.00 0.31 ATOM 1767 N HIS 112 -23.597 -7.869 -33.769 1.00 14.23 ATOM 1768 HN HIS 112 -23.360 -7.442 -34.619 1.00 38.16 ATOM 1769 CA HIS 112 -24.751 -8.773 -33.720 1.00 11.41 ATOM 1770 HA HIS 112 -25.310 -8.551 -32.820 1.00 30.24 ATOM 1771 CB HIS 112 -25.655 -8.546 -34.936 1.00 30.23 ATOM 1772 HB1 HIS 112 -26.543 -9.158 -34.838 1.00 38.16 ATOM 1773 HB2 HIS 112 -25.122 -8.836 -35.829 1.00 10.02 ATOM 1774 CG HIS 112 -26.088 -7.118 -35.100 1.00 32.14 ATOM 1775 ND1 HIS 112 -25.790 -6.359 -36.213 1.00 62.25 ATOM 1776 HD1 HIS 112 -25.288 -6.664 -37.005 1.00 0.34 ATOM 1777 CD2 HIS 112 -26.802 -6.308 -34.281 1.00 1.11 ATOM 1778 HD2 HIS 112 -27.206 -6.570 -33.314 1.00 52.21 ATOM 1779 CE1 HIS 112 -26.296 -5.151 -36.070 1.00 53.35 ATOM 1780 HE1 HIS 112 -26.220 -4.345 -36.786 1.00 24.15 ATOM 1781 NE2 HIS 112 -26.913 -5.093 -34.909 1.00 52.43 ATOM 1782 HE2 HIS 112 -27.517 -4.368 -34.635 1.00 38.16 ATOM 1783 C HIS 112 -24.286 -10.234 -33.667 1.00 42.20 ATOM 1784 O HIS 112 -24.871 -11.063 -32.973 1.00 51.41 ATOM 1785 N HIS 113 -23.224 -10.534 -34.413 1.00 12.22 ATOM 1786 HN HIS 113 -22.851 -9.847 -35.002 1.00 38.16 ATOM 1787 CA HIS 113 -22.594 -11.856 -34.373 1.00 42.34 ATOM 1788 HA HIS 113 -23.378 -12.595 -34.276 1.00 62.33 ATOM 1789 CB HIS 113 -21.820 -12.118 -35.672 1.00 34.22 ATOM 1790 HB1 HIS 113 -21.356 -13.092 -35.617 1.00 38.16 ATOM 1791 HB2 HIS 113 -21.053 -11.365 -35.785 1.00 63.14 ATOM 1792 CG HIS 113 -22.683 -12.086 -36.900 1.00 72.22 ATOM 1793 ND1 HIS 113 -23.487 -13.135 -37.284 1.00 51.24 ATOM 1794 HD1 HIS 113 -23.561 -13.997 -36.825 1.00 62.10 ATOM 1795 CD2 HIS 113 -22.871 -11.119 -37.829 1.00 21.00 ATOM 1796 HD2 HIS 113 -22.394 -10.149 -37.851 1.00 12.33 ATOM 1797 CE1 HIS 113 -24.130 -12.817 -38.387 1.00 72.32 ATOM 1798 HE1 HIS 113 -24.832 -13.447 -38.912 1.00 44.13 ATOM 1799 NE2 HIS 113 -23.776 -11.601 -38.741 1.00 43.12 ATOM 1800 HE2 HIS 113 -23.935 -11.214 -39.629 1.00 38.16 ATOM 1801 C HIS 113 -21.657 -11.966 -33.160 1.00 54.02 ATOM 1802 O HIS 113 -20.667 -11.232 -33.054 1.00 13.41 ATOM 1803 N HIS 114 -21.978 -12.876 -32.244 1.00 44.12 ATOM 1804 HN HIS 114 -22.747 -13.464 -32.409 1.00 38.16 ATOM 1805 CA HIS 114 -21.222 -13.023 -30.996 1.00 15.44 ATOM 1806 HA HIS 114 -21.202 -12.047 -30.528 1.00 74.52 ATOM 1807 CB HIS 114 -21.932 -13.992 -30.038 1.00 62.24 ATOM 1808 HB1 HIS 114 -21.199 -14.470 -29.404 1.00 38.16 ATOM 1809 HB2 HIS 114 -22.448 -14.747 -30.613 1.00 61.43 ATOM 1810 CG HIS 114 -22.938 -13.325 -29.151 1.00 4.42 ATOM 1811 ND1 HIS 114 -24.223 -13.027 -29.548 1.00 52.43 ATOM 1812 HD1 HIS 114 -24.609 -13.214 -30.431 1.00 15.15 ATOM 1813 CD2 HIS 114 -22.834 -12.891 -27.873 1.00 42.32 ATOM 1814 HD2 HIS 114 -21.955 -12.951 -27.246 1.00 40.10 ATOM 1815 CE1 HIS 114 -24.863 -12.441 -28.556 1.00 24.52 ATOM 1816 HE1 HIS 114 -25.884 -12.089 -28.584 1.00 52.13 ATOM 1817 NE2 HIS 114 -24.044 -12.348 -27.529 1.00 74.20 ATOM 1818 HE2 HIS 114 -24.317 -12.112 -26.615 1.00 38.16 ATOM 1819 C HIS 114 -19.766 -13.463 -31.219 1.00 55.41 ATOM 1820 O HIS 114 -19.468 -14.649 -31.354 1.00 34.34 ATOM 1821 N HIS 115 -18.875 -12.480 -31.300 1.00 45.32 ATOM 1822 HN HIS 115 -19.200 -11.568 -31.457 1.00 38.16 ATOM 1823 CA HIS 115 -17.429 -12.713 -31.196 1.00 24.53 ATOM 1824 HA HIS 115 -17.289 -13.733 -30.859 1.00 31.13 ATOM 1825 CB HIS 115 -16.734 -12.549 -32.562 1.00 63.51 ATOM 1826 HB1 HIS 115 -17.000 -13.388 -33.189 1.00 38.16 ATOM 1827 HB2 HIS 115 -15.664 -12.551 -32.414 1.00 13.33 ATOM 1828 CG HIS 115 -17.086 -11.294 -33.307 1.00 53.23 ATOM 1829 ND1 HIS 115 -17.953 -11.278 -34.378 1.00 25.52 ATOM 1830 HD1 HIS 115 -18.426 -12.059 -34.746 1.00 50.54 ATOM 1831 CD2 HIS 115 -16.659 -10.016 -33.159 1.00 23.04 ATOM 1832 HD2 HIS 115 -15.964 -9.654 -32.414 1.00 24.32 ATOM 1833 CE1 HIS 115 -18.043 -10.054 -34.854 1.00 30.43 ATOM 1834 HE1 HIS 115 -18.650 -9.745 -35.692 1.00 42.21 ATOM 1835 NE2 HIS 115 -17.270 -9.267 -34.134 1.00 55.21 ATOM 1836 HE2 HIS 115 -16.993 -8.363 -34.405 1.00 38.16 ATOM 1837 C HIS 115 -16.820 -11.780 -30.134 1.00 63.00 ATOM 1838 O HIS 115 -15.601 -11.670 -30.001 1.00 33.01 ATOM 1839 N HIS 116 -17.707 -11.118 -29.384 1.00 70.01 ATOM 1840 HN HIS 116 -18.657 -11.235 -29.588 1.00 38.16 ATOM 1841 HA HIS 116 -16.578 -10.748 -27.680 1.00 21.04 ATOM 1842 CB HIS 116 -16.793 -8.884 -28.734 1.00 73.10 ATOM 1843 HB1 HIS 116 -16.928 -8.148 -27.953 1.00 38.16 ATOM 1844 HB2 HIS 116 -17.344 -8.573 -29.609 1.00 70.55 ATOM 1845 CG HIS 116 -15.333 -8.908 -29.093 1.00 51.12 ATOM 1846 ND1 HIS 116 -14.361 -9.416 -28.256 1.00 34.11 ATOM 1847 HD1 HIS 116 -14.514 -9.803 -27.367 1.00 14.55 ATOM 1848 CD2 HIS 116 -14.680 -8.490 -30.206 1.00 42.33 ATOM 1849 HD2 HIS 116 -15.126 -8.037 -31.080 1.00 41.43 ATOM 1850 CE1 HIS 116 -13.181 -9.306 -28.832 1.00 51.53 ATOM 1851 HE1 HIS 116 -12.239 -9.624 -28.409 1.00 43.12 ATOM 1852 NE2 HIS 116 -13.346 -8.750 -30.013 1.00 34.12 ATOM 1853 HE2 HIS 116 -12.617 -8.441 -30.596 1.00 38.16 ATOM 1854 CA HIS 116 -17.346 -10.241 -28.252 1.00 53.22 ATOM 1855 C HIS 116 -18.569 -10.012 -27.333 1.00 32.21 ATOM 1856 OT1 HIS 116 -18.598 -10.574 -26.216 1.00 38.16 ATOM 1857 OT2 HIS 116 -19.502 -9.288 -27.748 1.00 38.16 ATOM 1858 OH2 TIP3 1 -29.479 -11.884 -36.738 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -29.849 -12.671 -37.146 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -28.812 -11.571 -37.383 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -34.095 -12.572 -34.317 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -33.629 -12.992 -35.044 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -33.570 -12.818 -33.525 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -36.746 -8.710 -33.355 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -36.510 -9.456 -33.938 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -37.722 -8.648 -33.434 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -25.829 -18.364 -35.030 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -25.729 -18.657 -34.094 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -26.139 -17.454 -34.957 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -30.589 -9.514 -41.949 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -30.315 -9.779 -42.829 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -31.512 -9.192 -42.070 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -27.857 -10.927 -38.762 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -28.692 -10.498 -39.056 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -27.229 -10.181 -38.657 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -30.917 -9.648 -35.897 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -30.499 -10.535 -35.980 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -30.221 -9.031 -36.204 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -26.876 -13.852 -41.501 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -26.197 -14.435 -41.092 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -27.656 -14.411 -41.573 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -30.206 -9.546 -39.253 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -31.144 -9.520 -38.972 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -30.252 -9.512 -40.240 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -41.575 -13.628 -42.137 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -40.743 -14.070 -42.309 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -42.228 -14.158 -42.596 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -34.359 -7.966 -32.305 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -33.848 -8.047 -33.141 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -35.278 -8.219 -32.563 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -32.126 -13.274 -32.503 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -31.682 -12.425 -32.428 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -31.509 -13.905 -32.082 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -28.738 -14.550 -15.517 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -29.556 -14.886 -15.090 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -28.979 -13.653 -15.826 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -28.853 -11.879 -16.255 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -29.516 -11.318 -15.834 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -28.090 -11.873 -15.616 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -28.549 -16.956 -13.129 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -29.420 -16.902 -13.554 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -28.252 -16.027 -13.082 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -39.626 -14.238 -17.575 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -38.975 -13.658 -17.166 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -40.199 -13.629 -18.092 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -28.837 -10.353 -28.195 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -28.785 -9.428 -28.478 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -29.671 -10.397 -27.692 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -32.522 -12.214 -22.136 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -32.851 -11.696 -21.363 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -33.041 -13.020 -22.114 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -29.971 -11.160 -22.095 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -30.113 -10.594 -21.308 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -30.851 -11.576 -22.253 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -30.834 -15.415 -13.947 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -31.786 -15.390 -14.079 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -30.716 -15.144 -13.003 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -33.379 -10.900 -19.935 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -32.924 -10.277 -19.353 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -34.331 -10.754 -19.743 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -33.694 -11.685 -26.216 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -33.674 -12.431 -25.610 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -33.437 -10.916 -25.659 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -36.678 -9.862 -15.613 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -36.480 -10.738 -16.005 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -36.645 -10.017 -14.648 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -41.411 -9.904 -20.024 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -40.924 -9.127 -19.669 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -41.881 -9.558 -20.785 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -41.189 -12.446 -18.965 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -41.110 -11.534 -19.320 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -42.084 -12.708 -19.191 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -35.926 -10.307 -19.071 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -36.432 -10.804 -18.404 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -36.565 -9.641 -19.412 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -26.985 -13.719 -26.215 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -26.542 -12.921 -25.860 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -27.268 -14.207 -25.408 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -38.540 -16.627 -16.875 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -38.970 -17.369 -17.305 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -39.053 -15.841 -17.180 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -33.049 -11.533 -7.559 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -33.475 -12.360 -7.895 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -33.659 -11.212 -6.888 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -36.636 -14.192 -10.056 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -37.461 -14.626 -10.283 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -36.363 -13.744 -10.889 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -35.997 -13.007 -12.456 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -36.380 -12.130 -12.659 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -35.025 -12.853 -12.480 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -30.760 -11.453 -12.808 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -29.802 -11.638 -12.766 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -30.885 -10.709 -12.188 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -37.008 -14.584 -15.866 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -37.008 -14.714 -14.910 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -37.452 -15.389 -16.220 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -30.381 -9.103 -5.485 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -29.924 -8.654 -6.228 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.065 -8.467 -5.207 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -30.403 -14.834 -11.306 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -30.137 -13.961 -10.949 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -29.879 -15.465 -10.793 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -28.312 -9.634 -10.112 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -27.913 -10.175 -10.818 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -27.577 -9.026 -9.827 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -30.865 -9.458 -10.914 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -30.986 -8.528 -11.205 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -29.924 -9.499 -10.631 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -33.963 -4.275 -37.262 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -34.540 -5.053 -37.422 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -33.520 -4.127 -38.127 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -33.715 -7.343 -39.853 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -33.176 -7.938 -39.296 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -34.366 -6.963 -39.233 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -31.793 6.006 -37.441 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -32.571 6.329 -37.950 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -32.048 6.151 -36.512 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -32.680 -9.178 -37.997 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -33.579 -9.189 -37.609 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -32.095 -9.395 -37.243 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -31.532 1.960 -36.467 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -30.918 2.493 -37.035 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -32.027 2.639 -35.956 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.840 -3.691 -39.657 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -33.003 -2.793 -40.039 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -33.005 -4.295 -40.395 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -35.447 3.628 -36.000 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -36.396 3.839 -35.959 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -35.418 2.659 -36.123 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -41.718 1.795 -36.055 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -41.186 1.154 -36.534 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -41.572 1.572 -35.114 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -38.274 1.786 -33.235 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -39.163 1.398 -33.365 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -38.456 2.733 -33.085 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -30.034 -1.952 -35.604 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -30.808 -2.172 -35.038 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -30.268 -2.321 -36.483 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -32.414 -5.603 -35.356 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -32.889 -5.156 -36.087 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -32.816 -5.215 -34.540 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -39.493 -8.814 -33.702 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -40.210 -9.021 -34.344 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -39.954 -8.430 -32.954 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -35.467 -6.564 -37.785 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -36.420 -6.448 -37.692 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -35.277 -7.394 -37.286 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -34.289 -1.572 -36.735 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -34.246 -2.541 -36.903 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -33.532 -1.209 -37.243 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -38.261 -1.691 -35.146 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -37.749 -1.245 -34.440 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -37.614 -1.860 -35.837 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -30.517 0.577 -34.345 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -30.066 -0.232 -34.651 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -30.792 1.024 -35.174 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -33.168 -1.112 -40.375 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -32.864 -0.672 -39.554 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -33.410 -0.385 -40.957 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -42.905 4.211 -36.305 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -43.536 4.079 -37.018 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -42.456 3.337 -36.217 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -34.355 1.117 -35.947 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -33.494 1.316 -36.349 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -34.531 0.195 -36.208 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -29.774 -6.194 -35.246 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -29.603 -6.819 -35.982 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -30.717 -5.939 -35.363 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -23.559 -3.842 -44.316 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -22.995 -3.111 -44.674 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -23.499 -4.536 -44.985 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -33.257 6.535 -35.042 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -33.216 7.313 -34.436 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -34.089 6.665 -35.538 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -41.561 5.868 -34.637 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -42.079 5.307 -35.261 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -42.090 6.664 -34.541 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -40.822 -1.474 -34.213 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -39.920 -1.578 -34.592 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -41.159 -2.372 -34.157 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -34.857 -2.046 -34.127 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -34.802 -1.815 -35.079 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -35.581 -1.475 -33.782 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -36.776 -0.451 -33.141 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -37.244 0.416 -33.197 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -36.598 -0.562 -32.182 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -33.758 -4.428 -33.353 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -34.309 -3.672 -33.640 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -34.240 -4.799 -32.586 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -42.619 -8.890 -37.789 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -42.079 -9.254 -38.499 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -43.441 -8.637 -38.221 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -34.937 -8.879 -36.436 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -35.488 -9.593 -36.048 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -34.326 -8.627 -35.706 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -41.740 -9.262 -35.217 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -42.464 -9.839 -34.962 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -41.947 -9.014 -36.145 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -33.453 8.659 -33.366 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -33.310 8.740 -32.397 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -33.215 9.547 -33.716 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -32.126 -0.331 -37.921 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -31.397 -0.983 -37.923 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -31.734 0.468 -37.503 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -32.889 3.839 -34.979 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -32.815 4.819 -34.920 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -33.798 3.696 -35.339 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -32.147 -1.819 -33.942 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -33.117 -1.945 -34.009 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -32.030 -0.856 -33.928 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -30.711 -2.818 -38.104 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -29.930 -3.236 -38.491 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -31.461 -3.194 -38.615 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -32.600 -8.391 -30.245 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -32.917 -9.195 -29.784 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -33.185 -8.320 -31.037 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -39.880 3.914 -33.833 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -40.495 3.168 -33.735 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -40.463 4.684 -34.020 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -35.989 7.650 -33.499 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -35.907 6.978 -34.200 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -35.084 8.029 -33.424 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -32.970 -8.208 -34.683 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -32.691 -7.299 -34.928 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -32.214 -8.772 -34.954 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -38.056 8.466 -35.142 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -38.369 9.386 -35.011 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -37.400 8.335 -34.433 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -35.960 6.808 -36.141 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -36.525 6.007 -36.124 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -36.599 7.549 -36.116 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -34.071 7.369 -38.055 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -33.922 8.294 -37.760 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -34.852 7.082 -37.544 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -33.166 -8.664 -42.196 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -33.330 -8.114 -41.397 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -34.035 -8.775 -42.587 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -29.179 -7.962 -37.263 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -29.548 -8.506 -37.994 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -28.481 -7.421 -37.701 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -36.142 -10.886 -34.951 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -36.899 -11.482 -34.927 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -35.382 -11.451 -34.674 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -41.054 2.129 -23.187 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -41.049 2.977 -22.691 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -41.273 2.394 -24.102 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -38.759 -1.498 -25.271 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -38.737 -2.231 -24.626 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -38.698 -0.692 -24.721 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -37.863 2.364 -25.888 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -38.281 3.231 -25.713 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -38.020 1.848 -25.063 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -32.268 -8.858 -22.320 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -33.025 -8.375 -21.911 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -31.766 -9.195 -21.558 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -40.029 -7.640 -19.254 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -40.079 -7.386 -18.310 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -39.100 -7.928 -19.376 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -29.454 -5.406 -32.577 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -29.709 -6.167 -32.002 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -29.629 -5.726 -33.489 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -42.897 3.934 -27.698 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -42.296 3.750 -26.941 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -43.780 3.796 -27.339 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -38.643 0.885 -23.752 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -39.468 1.254 -23.372 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -38.221 0.408 -22.998 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -36.302 5.971 -25.181 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -36.689 5.161 -25.544 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -37.018 6.360 -24.646 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -31.385 -9.423 -27.143 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -32.113 -9.631 -27.761 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -31.817 -9.422 -26.261 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -38.510 1.632 -15.615 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -37.879 1.166 -15.026 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -38.725 2.440 -15.140 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -36.689 6.023 -29.495 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -36.593 5.232 -30.068 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -36.957 6.739 -30.125 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -37.264 -7.605 -17.000 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -37.014 -8.443 -16.539 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -36.816 -6.904 -16.479 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -33.419 -6.139 -28.870 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -34.204 -6.263 -28.285 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -33.229 -7.036 -29.216 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -41.838 -0.294 -22.064 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -41.616 0.600 -22.384 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -41.915 -0.818 -22.861 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -39.049 -5.755 -21.291 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -39.682 -6.307 -20.800 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -38.437 -5.422 -20.597 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -37.347 -0.701 -21.969 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -37.417 -1.157 -21.120 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -36.578 -1.114 -22.400 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -36.456 -0.677 -30.342 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -36.485 -1.610 -30.026 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -37.295 -0.301 -30.044 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -38.883 -0.191 -17.616 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -39.571 0.083 -18.235 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -38.860 0.533 -16.946 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -35.278 1.611 -29.020 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -34.364 1.354 -28.782 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -35.615 0.854 -29.528 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -38.881 -4.547 -15.677 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -38.856 -3.939 -16.449 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -37.962 -4.895 -15.619 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -41.164 3.102 -25.783 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -40.395 3.716 -25.768 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -40.797 2.264 -26.141 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -39.972 0.833 -26.840 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -39.793 -0.073 -26.528 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -39.104 1.283 -26.773 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -42.290 4.139 -10.935 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -43.139 4.564 -11.064 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -41.946 4.531 -10.131 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -39.051 4.829 -25.738 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -38.948 5.378 -26.554 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -39.017 5.486 -25.008 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -40.983 1.150 -33.463 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -40.975 0.187 -33.682 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -41.586 1.209 -32.681 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -42.667 1.056 -31.347 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -42.306 1.209 -30.443 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -43.522 0.646 -31.191 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -34.173 -7.392 -21.061 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -34.425 -7.097 -20.153 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -34.984 -7.249 -21.590 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -35.035 -7.455 -24.728 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -35.683 -7.633 -24.031 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -34.827 -6.501 -24.618 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -35.920 3.770 -27.350 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -36.597 3.229 -26.900 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -35.643 3.214 -28.109 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -37.427 -3.887 -26.380 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -37.575 -4.176 -25.458 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -37.845 -3.010 -26.418 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -37.304 -5.144 -19.249 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -36.421 -5.403 -18.899 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -37.686 -4.592 -18.546 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -38.261 -3.873 -23.602 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -38.907 -4.401 -23.104 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -37.486 -3.825 -23.005 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -41.932 1.508 -28.777 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -42.192 2.395 -28.467 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -41.244 1.223 -28.142 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -33.367 4.740 -15.344 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -32.438 5.050 -15.306 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -33.613 4.629 -14.410 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -38.465 -1.078 -12.164 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -38.535 -2.013 -12.485 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -39.353 -0.872 -11.848 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -36.580 -3.317 -29.414 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -36.308 -4.099 -29.925 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -36.930 -3.682 -28.586 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -38.394 -2.917 -17.827 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -37.592 -2.724 -18.350 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -38.812 -2.041 -17.706 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -34.900 -5.509 -31.093 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -34.838 -6.397 -31.507 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -34.337 -5.580 -30.296 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -35.989 -2.272 -19.031 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -35.533 -3.053 -18.631 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -35.884 -1.570 -18.360 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -40.811 -8.781 -14.443 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -41.590 -9.179 -14.841 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -40.477 -8.168 -15.132 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -39.867 -7.047 -16.432 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -38.937 -7.322 -16.592 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -39.789 -6.126 -16.108 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -36.193 -3.772 -21.706 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -36.270 -3.590 -20.751 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -35.565 -3.104 -22.028 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -34.004 -8.767 -17.804 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -34.244 -7.852 -18.079 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -34.721 -9.320 -18.171 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -33.409 -12.135 -12.294 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -32.482 -12.027 -12.590 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -33.480 -11.549 -11.516 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -39.119 -8.883 -12.278 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -39.651 -8.763 -13.100 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -39.697 -9.387 -11.696 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -41.984 5.982 -29.357 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -42.314 5.367 -28.673 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -42.028 5.473 -30.172 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -31.474 -1.971 -15.964 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -32.431 -2.172 -15.961 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -31.390 -1.206 -15.353 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -29.494 -7.584 -27.766 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -28.966 -7.409 -26.954 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -30.188 -8.219 -27.469 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -30.029 -7.286 -30.627 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -29.724 -7.378 -29.708 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -30.927 -7.677 -30.620 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -34.303 5.904 -17.642 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -33.446 5.884 -18.079 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -34.165 5.370 -16.824 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -40.945 4.804 -22.542 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -40.449 5.492 -22.061 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -41.212 5.235 -23.359 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -40.050 7.275 -21.558 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -39.481 7.777 -20.932 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -40.952 7.499 -21.278 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -36.535 -6.534 -22.208 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -37.511 -6.483 -22.195 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -36.249 -5.600 -22.115 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -33.021 -9.384 -24.897 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -33.734 -8.709 -24.948 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -32.719 -9.340 -23.961 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -28.153 -7.411 -25.337 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -28.683 -7.871 -24.648 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -27.413 -8.020 -25.512 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -37.337 -8.056 -19.785 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -37.131 -7.649 -18.914 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -37.022 -7.402 -20.434 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -33.691 -10.286 -28.555 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -34.614 -10.235 -28.829 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -33.702 -10.904 -27.785 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -35.615 -6.109 -27.222 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -35.534 -6.693 -26.446 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -36.215 -5.400 -26.926 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -36.142 -12.228 -16.880 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -36.489 -13.055 -16.466 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -35.369 -12.520 -17.371 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -31.380 -3.827 -7.109 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -31.290 -4.389 -7.900 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -31.830 -3.018 -7.438 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -32.976 -1.635 -7.748 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -33.741 -1.845 -7.176 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -33.274 -0.856 -8.273 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -30.928 -4.814 -3.259 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -30.699 -4.745 -2.307 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -30.066 -4.911 -3.700 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -35.432 -8.750 -10.962 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -34.689 -9.285 -10.605 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -35.009 -8.174 -11.645 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -33.030 -4.186 -4.953 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -32.397 -4.228 -4.208 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -32.455 -4.133 -5.747 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -36.138 -0.837 -10.696 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -37.005 -0.829 -11.156 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -36.336 -1.252 -9.819 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -30.432 -6.041 -8.907 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -30.221 -6.865 -8.423 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -30.763 -6.351 -9.774 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -33.742 0.145 -9.678 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -33.315 0.701 -10.341 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -34.597 -0.104 -10.086 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -36.300 -5.427 -15.658 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -35.732 -5.226 -14.884 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -35.802 -5.053 -16.424 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -29.819 -4.801 -0.684 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -29.043 -5.230 -0.249 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -30.254 -4.325 0.029 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -34.654 -3.090 -11.367 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -35.163 -3.709 -10.798 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -35.092 -2.225 -11.228 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -34.533 -4.434 -13.787 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -34.546 -3.988 -12.912 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -34.317 -3.715 -14.417 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -30.712 5.282 -14.825 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -30.675 6.258 -14.931 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -30.935 5.153 -13.884 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -31.423 2.163 -11.627 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -31.074 2.044 -10.737 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -30.623 2.368 -12.172 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -34.225 -2.511 -15.818 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -34.407 -3.184 -16.517 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -34.901 -1.821 -15.975 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -37.480 -6.906 -10.907 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -36.732 -7.538 -10.839 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -38.165 -7.407 -11.385 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -32.180 -2.918 -9.994 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -32.409 -2.286 -9.285 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -32.973 -2.935 -10.563 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -36.410 -2.308 -8.451 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -35.985 -2.422 -7.577 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -36.443 -3.214 -8.820 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -33.584 -8.692 -15.077 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -33.702 -8.626 -16.049 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -33.691 -9.630 -14.891 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -34.547 -7.175 -12.979 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -34.220 -7.680 -13.757 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -34.501 -6.243 -13.263 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -29.153 2.731 -12.944 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -28.277 3.051 -12.630 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -28.947 2.213 -13.729 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -36.838 0.130 -14.007 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -37.465 -0.313 -13.390 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -36.027 0.225 -13.490 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.519 0.219 -14.244 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -31.470 1.047 -14.777 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -31.553 0.531 -13.330 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -36.140 -4.771 -9.727 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -36.725 -5.401 -10.213 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -35.648 -5.332 -9.117 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -34.993 -2.591 -6.052 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -35.359 -2.090 -5.315 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -34.400 -3.252 -5.623 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -31.416 2.638 -15.436 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -32.303 2.992 -15.606 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -30.883 3.430 -15.225 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -36.367 -0.879 -16.555 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -36.474 -0.533 -15.644 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -37.219 -0.667 -16.989 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -38.678 -3.624 -13.062 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -38.905 -3.902 -13.975 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -38.348 -4.429 -12.646 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -26.473 -1.008 -3.861 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -26.220 -1.757 -3.293 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -26.984 -0.423 -3.271 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -28.791 -4.074 -6.223 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -29.743 -3.901 -6.369 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -28.385 -3.184 -6.201 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -32.215 -7.120 -4.053 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -33.124 -6.818 -4.168 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -31.729 -6.311 -3.782 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -30.691 6.150 -8.687 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -31.198 6.202 -7.874 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -29.840 6.604 -8.470 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -33.309 -10.325 -10.114 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -32.416 -9.994 -10.361 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -33.188 -10.689 -9.216 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -29.098 -8.174 -7.756 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -28.169 -8.149 -7.404 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -29.050 -8.816 -8.491 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -36.783 -10.315 -12.817 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -36.202 -9.896 -12.149 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -37.633 -9.838 -12.718 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -26.983 3.418 -8.585 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -27.630 3.607 -9.273 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -26.738 4.299 -8.239 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -30.194 11.327 -35.256 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -29.243 11.175 -35.194 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -30.449 10.909 -36.112 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -30.344 13.716 -33.894 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -31.205 14.079 -34.192 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -30.316 12.820 -34.282 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -33.634 9.836 -36.962 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -33.995 10.660 -36.574 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -32.684 10.016 -37.069 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -32.317 21.056 -32.934 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -31.739 20.403 -33.382 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -32.854 20.509 -32.319 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -31.965 15.317 -37.736 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -32.773 14.820 -37.961 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -32.239 16.263 -37.799 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -34.643 14.467 -37.544 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -34.689 15.258 -36.972 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -35.570 14.320 -37.820 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -31.024 20.902 -37.543 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -30.523 21.704 -37.796 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -30.327 20.238 -37.350 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -37.449 7.878 -31.236 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -38.316 8.209 -31.536 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -36.928 7.781 -32.064 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -34.444 12.266 -35.870 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -35.066 12.658 -35.222 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -34.397 12.933 -36.585 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -35.916 13.725 -33.907 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -36.488 14.494 -33.717 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -36.258 13.021 -33.307 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -32.793 17.915 -37.811 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -32.386 18.770 -38.003 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -33.697 17.987 -38.190 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -29.051 19.152 -36.920 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -28.094 18.973 -36.989 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -29.465 18.272 -37.076 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -37.161 17.036 -36.930 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -36.730 17.696 -37.500 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -37.799 17.568 -36.387 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -38.572 13.223 -35.723 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -38.087 13.507 -36.522 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -38.713 14.038 -35.231 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -37.020 19.923 -38.044 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -36.501 20.689 -37.708 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -37.868 19.992 -37.575 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -35.284 18.065 -38.928 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -35.852 18.850 -38.741 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -35.528 17.805 -39.821 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -37.397 14.530 -37.904 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -37.996 14.548 -38.657 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -37.395 15.460 -37.572 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -35.742 22.049 -36.905 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -35.546 22.933 -37.229 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -34.891 21.741 -36.522 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -32.699 11.233 -34.015 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -33.280 11.604 -34.716 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -31.804 11.254 -34.410 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -34.318 19.140 -34.938 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -35.002 19.508 -34.338 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -33.904 19.933 -35.343 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -38.828 21.285 -36.179 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -39.544 21.946 -36.301 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -38.021 21.817 -36.125 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -34.804 16.526 -35.648 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -34.451 17.444 -35.651 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -35.725 16.626 -35.975 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -35.110 16.944 -32.877 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -34.963 16.769 -33.825 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -34.630 17.766 -32.711 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -36.856 11.957 -32.093 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -36.595 11.627 -31.212 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -37.430 11.263 -32.447 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -33.713 13.224 -32.286 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -34.360 13.547 -32.942 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -33.210 12.536 -32.769 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -33.643 11.827 -29.924 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -33.598 12.371 -30.740 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -34.592 11.796 -29.712 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -38.011 5.022 -35.554 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -38.528 4.444 -34.955 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -38.528 5.841 -35.591 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -39.888 8.892 -32.156 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -40.050 9.855 -32.060 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -39.805 8.761 -33.112 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -29.188 25.246 -34.253 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -28.737 24.482 -34.671 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -29.304 25.873 -34.973 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -31.313 24.907 -36.794 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -31.593 24.345 -36.039 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -31.902 25.668 -36.750 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -28.123 23.105 -35.601 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -28.365 22.246 -35.198 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -28.540 23.079 -36.487 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -32.616 14.779 -35.101 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -32.206 14.885 -35.985 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -33.507 15.158 -35.207 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -32.955 9.237 -30.728 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -31.991 9.143 -30.783 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -33.092 10.151 -30.397 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -25.927 7.500 -35.277 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -26.868 7.363 -35.558 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -25.465 7.731 -36.101 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -30.328 21.980 -31.196 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -30.950 21.724 -31.904 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -30.195 22.948 -31.333 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -38.490 20.635 -23.239 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -37.702 20.990 -23.719 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -39.119 20.398 -23.955 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -38.093 16.962 -20.384 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -39.027 17.142 -20.184 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -37.607 17.442 -19.685 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -39.405 12.396 -27.099 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -39.780 12.273 -26.196 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -38.487 12.657 -26.940 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -40.260 12.031 -24.457 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -39.716 11.871 -23.663 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -41.173 12.051 -24.117 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -43.654 15.821 -21.995 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -43.208 15.519 -22.815 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -42.928 15.890 -21.345 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -38.183 17.903 -23.005 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -38.225 18.882 -23.003 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -37.944 17.671 -22.087 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -43.392 10.691 -18.100 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -42.806 9.942 -18.243 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -43.186 11.301 -18.841 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -38.770 6.894 -23.974 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -39.136 7.019 -23.069 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -38.924 7.743 -24.408 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -35.930 20.362 -30.449 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -35.704 21.126 -29.879 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -35.062 19.950 -30.647 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -42.222 14.988 -24.116 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -42.242 15.160 -25.085 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -41.345 15.329 -23.834 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -39.441 17.110 -26.143 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -39.454 18.000 -25.731 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -38.611 16.708 -25.819 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -39.753 15.780 -23.345 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -39.265 15.410 -24.099 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -39.326 16.659 -23.197 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -33.936 21.707 -22.911 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -34.110 22.332 -22.195 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -33.885 20.838 -22.462 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -35.024 25.124 -32.573 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -34.870 24.150 -32.564 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -35.934 25.221 -32.279 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -44.064 16.905 -27.302 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -44.531 17.039 -26.461 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -43.240 16.436 -27.046 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -27.127 18.895 -18.919 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -27.886 18.434 -19.321 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -27.253 18.767 -17.963 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -36.752 22.057 -18.713 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -37.482 21.717 -18.164 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -37.169 22.229 -19.587 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -36.240 20.113 -33.176 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -36.332 20.129 -32.198 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -37.064 19.709 -33.484 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -34.686 22.445 -32.563 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -33.810 22.123 -32.848 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -35.294 21.719 -32.797 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -42.728 12.558 -23.016 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -43.645 12.670 -22.692 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -42.526 13.413 -23.458 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -45.139 9.583 -16.353 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -45.652 10.221 -15.852 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -44.577 10.135 -16.946 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -39.121 10.704 -29.290 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -39.407 11.186 -28.485 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -39.541 9.820 -29.204 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -41.037 15.519 -20.914 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -40.584 14.766 -20.505 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -40.583 15.631 -21.778 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -41.712 15.724 -26.668 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -41.448 15.135 -27.411 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -40.906 16.266 -26.496 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -34.192 14.396 -13.701 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -34.852 14.747 -14.336 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -34.708 14.174 -12.919 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -38.849 10.955 -34.243 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -39.277 11.349 -33.457 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -38.747 11.713 -34.866 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -40.968 14.080 -28.709 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -40.470 13.413 -28.194 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -40.427 14.216 -29.508 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -39.543 14.325 -31.320 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -40.093 15.137 -31.368 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -38.708 14.581 -31.756 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -46.768 12.592 -23.911 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -46.098 12.062 -24.341 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -46.326 12.940 -23.115 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -40.790 16.769 -31.147 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -41.695 16.612 -30.792 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -40.241 16.915 -30.342 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -36.482 11.609 -29.335 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -37.382 11.213 -29.347 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -36.375 11.928 -28.419 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -37.986 18.386 -17.996 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -38.219 19.275 -17.644 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -38.825 17.882 -17.944 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -44.789 17.397 -24.557 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -45.738 17.488 -24.414 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -44.470 16.946 -23.757 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -39.244 16.813 -28.894 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -39.344 17.056 -27.950 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -38.460 16.225 -28.904 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -38.769 14.404 -19.378 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -38.415 15.174 -19.870 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -38.017 14.122 -18.802 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -34.331 21.158 -17.895 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -34.668 20.239 -17.853 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -35.116 21.686 -18.178 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -32.525 18.179 -18.184 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -32.414 17.228 -18.440 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -33.497 18.295 -18.119 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -32.146 21.192 -29.344 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -31.761 21.179 -28.434 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -31.417 21.541 -29.905 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -42.711 18.974 -25.766 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -43.396 18.582 -25.194 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -42.903 18.613 -26.644 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -40.051 19.717 -25.382 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -39.876 20.037 -26.276 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -41.013 19.504 -25.387 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -35.222 18.532 -17.704 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -36.181 18.476 -17.908 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -35.174 18.359 -16.741 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -32.346 20.977 -19.786 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -32.990 21.183 -19.077 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -32.818 20.344 -20.358 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -33.243 26.216 -34.311 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -33.215 27.158 -34.124 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -33.955 25.875 -33.720 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -40.787 23.246 -36.436 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -41.217 23.680 -37.180 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -41.366 23.424 -35.688 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -39.195 18.115 -32.880 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -39.981 17.663 -32.499 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -38.750 18.511 -32.091 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -38.184 18.851 -30.547 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -37.448 19.411 -30.226 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -38.486 18.374 -29.748 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -39.880 11.629 -31.765 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -39.613 11.320 -30.873 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -39.907 12.608 -31.678 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -36.251 21.556 -24.439 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -35.995 21.351 -25.364 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -35.400 21.678 -23.978 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -36.140 20.458 -15.316 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -35.799 19.582 -15.035 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -35.344 20.980 -15.479 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -33.207 21.422 -36.029 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -32.892 22.154 -35.453 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -32.436 21.231 -36.615 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -38.716 18.642 -35.479 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -38.930 19.589 -35.618 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -39.013 18.460 -34.557 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -33.424 19.495 -31.006 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -32.979 20.131 -30.396 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -33.148 18.614 -30.666 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -42.955 15.945 -29.737 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -42.531 15.177 -29.318 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -43.532 16.312 -29.040 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -39.758 11.777 -19.771 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -39.426 12.642 -19.460 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -39.397 11.696 -20.678 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -37.590 15.759 -32.906 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -36.731 16.172 -32.665 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -38.202 16.516 -32.986 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -35.017 17.949 -15.029 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -34.101 17.715 -14.762 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -35.460 17.081 -15.135 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -42.444 12.018 -20.306 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -42.461 12.124 -21.276 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -41.497 11.897 -20.094 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -45.105 13.468 -21.870 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -45.122 13.190 -20.944 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -44.783 14.395 -21.838 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -40.168 16.705 -18.405 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -39.820 15.801 -18.341 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -40.939 16.621 -18.988 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -35.826 15.412 -15.721 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -36.616 15.057 -16.156 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -35.106 15.258 -16.375 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -41.865 7.488 -19.232 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -42.576 7.576 -18.553 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -41.765 6.538 -19.342 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -39.469 8.958 -19.468 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -40.324 8.574 -19.194 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -39.600 9.921 -19.387 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -36.643 13.645 -17.895 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -35.714 13.968 -17.978 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -36.549 12.732 -17.598 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -35.029 8.145 -16.147 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -35.979 8.035 -16.064 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -34.741 7.372 -16.670 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -43.685 7.442 -17.221 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -44.260 8.203 -16.976 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -43.866 6.786 -16.543 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -28.007 20.686 -25.026 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -27.076 20.852 -24.763 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -28.006 20.825 -25.993 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -29.687 21.118 -20.109 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -30.625 21.052 -19.803 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -29.182 20.650 -19.428 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -30.568 18.600 -14.970 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -31.294 18.041 -14.642 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -31.024 19.351 -15.408 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -29.340 7.360 -29.013 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -29.777 7.767 -29.779 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -28.484 7.050 -29.365 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -37.327 19.029 -27.767 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -36.921 19.845 -27.430 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -36.619 18.375 -27.713 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -37.883 22.414 -21.189 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -38.179 21.668 -21.752 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -37.828 23.156 -21.795 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -31.500 21.775 -24.159 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -32.440 21.774 -23.872 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -31.064 22.410 -23.544 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -38.610 6.711 -27.679 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -39.209 7.288 -28.194 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -37.961 6.392 -28.341 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -40.307 8.152 -29.461 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -40.230 8.264 -30.430 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -40.985 7.443 -29.355 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -34.614 22.295 -29.063 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -33.681 21.986 -29.115 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -34.619 23.116 -29.568 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -33.123 9.902 -15.202 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -32.470 9.236 -14.937 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -33.888 9.372 -15.515 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -32.016 20.324 -16.516 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -32.103 19.560 -17.121 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -32.695 20.947 -16.825 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -32.627 16.617 -14.520 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -32.032 16.213 -15.193 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -32.985 15.850 -14.031 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -33.341 12.593 -15.797 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -33.206 11.638 -15.595 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -33.416 13.014 -14.924 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -30.044 14.034 -13.713 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -30.705 14.198 -14.402 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -29.337 14.687 -13.905 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -38.385 20.816 -16.794 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -37.592 20.703 -16.212 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -39.026 21.261 -16.233 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -28.411 17.853 -16.490 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -29.039 18.196 -15.811 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -28.960 17.763 -17.293 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -23.901 17.865 -12.998 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -24.593 17.193 -13.169 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -23.493 18.016 -13.877 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -31.095 15.175 -16.296 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -31.392 15.411 -17.200 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -30.346 14.564 -16.444 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -34.069 14.459 -17.656 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -33.331 14.903 -18.140 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -33.619 13.772 -17.107 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -29.635 11.749 -12.219 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -30.489 11.318 -12.342 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -29.739 12.620 -12.677 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -30.649 7.155 -11.239 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -30.176 7.989 -11.028 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -30.703 6.691 -10.378 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -28.366 7.392 -8.083 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -27.600 6.864 -7.782 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -27.967 8.201 -8.452 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -32.333 4.643 -12.594 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -32.138 3.769 -12.197 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -32.052 5.280 -11.920 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -35.347 20.788 -26.897 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -34.886 19.948 -27.068 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -35.057 21.376 -27.628 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -31.038 21.434 -26.883 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -30.402 22.162 -27.044 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -31.262 21.520 -25.934 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -25.759 -17.676 -39.113 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -25.495 -18.332 -39.803 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -26.444 -18.147 -38.586 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -24.218 -16.297 -42.833 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -24.955 -16.280 -43.448 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -24.611 -16.025 -41.979 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -20.449 -14.474 -37.890 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -19.859 -15.196 -38.212 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -21.228 -14.949 -37.532 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -21.618 -18.446 -38.589 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -21.951 -18.279 -39.496 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -22.431 -18.522 -38.047 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -23.949 -18.217 -37.132 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -24.640 -18.079 -37.816 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -24.452 -18.492 -36.339 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -17.508 -21.123 -34.695 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -16.699 -20.583 -34.814 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -17.257 -21.998 -35.005 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -22.239 -14.850 -40.100 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -21.533 -14.627 -39.463 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -22.111 -14.205 -40.834 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -22.705 -15.795 -37.008 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -22.615 -15.725 -36.030 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -23.066 -16.697 -37.149 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -27.123 -19.202 -37.329 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -27.581 -20.039 -37.201 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -26.729 -19.005 -36.454 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -24.640 -19.340 -40.945 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -23.821 -18.808 -40.992 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -24.498 -20.049 -41.579 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -25.915 -11.445 -40.788 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -26.253 -12.285 -41.181 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -26.594 -11.207 -40.127 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -12.218 -14.981 -36.387 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -11.585 -15.648 -36.035 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -11.660 -14.348 -36.846 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -20.245 -16.712 -34.504 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -20.125 -17.306 -35.274 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -20.243 -17.313 -33.740 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -24.506 -10.279 -42.870 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -25.138 -10.757 -42.291 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -24.162 -10.973 -43.478 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -25.604 -18.533 -32.294 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -25.067 -19.062 -31.673 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -26.082 -17.898 -31.712 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -19.397 -16.805 -38.635 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -19.006 -17.365 -37.950 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -20.187 -17.301 -38.920 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -24.971 -15.423 -40.363 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -25.228 -16.221 -39.839 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -24.024 -15.287 -40.146 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -23.547 -16.651 -32.373 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -24.167 -17.403 -32.306 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -22.715 -16.988 -31.976 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -19.162 -14.164 -34.267 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -19.512 -14.999 -34.630 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -19.046 -14.351 -33.323 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -21.250 -11.245 -46.021 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -20.789 -10.399 -45.808 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -20.804 -11.561 -46.811 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -19.832 -8.922 -45.832 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -20.264 -8.116 -46.176 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -19.013 -8.595 -45.418 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -18.622 -12.472 -36.997 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -19.142 -13.289 -37.140 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -18.956 -11.855 -37.687 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -30.122 -14.698 -31.113 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -30.036 -15.657 -31.050 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -30.009 -14.386 -30.204 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -22.518 -15.246 -34.411 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -21.623 -15.646 -34.343 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -23.022 -15.670 -33.681 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -15.383 -19.359 -35.215 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -16.058 -18.651 -35.115 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -14.815 -19.044 -35.924 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -19.687 -18.572 -36.445 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -19.834 -19.232 -35.728 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -20.344 -18.813 -37.133 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -14.031 -17.153 -33.292 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -14.004 -18.076 -33.576 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -14.928 -17.050 -32.901 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -23.208 -12.170 -44.373 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -23.591 -12.850 -44.938 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -22.477 -11.786 -44.922 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -11.788 -10.022 -36.395 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -11.134 -10.045 -35.664 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -11.386 -9.418 -37.056 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -16.287 -15.696 -29.877 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -16.066 -16.034 -30.764 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -15.479 -15.238 -29.589 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -17.372 -17.491 -35.155 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -17.361 -16.596 -35.522 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -18.141 -17.917 -35.585 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -19.594 -10.790 -38.910 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -19.584 -11.369 -39.709 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -19.232 -9.952 -39.224 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -14.439 -12.989 -39.193 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -13.744 -13.610 -39.427 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -14.095 -12.125 -39.469 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -14.655 -10.097 -39.167 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -15.372 -9.821 -39.789 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -15.134 -10.548 -38.440 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -21.980 -12.845 -41.944 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -22.395 -12.786 -42.829 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -22.107 -11.950 -41.561 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -22.607 -17.432 -40.963 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -22.301 -16.581 -40.585 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -23.011 -17.175 -41.821 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -14.004 -14.557 -34.360 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -13.450 -14.676 -35.165 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -14.042 -15.449 -33.965 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -17.181 -12.818 -25.904 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -17.694 -11.973 -25.944 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -17.750 -13.458 -26.366 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -21.395 -20.579 -28.426 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -21.556 -21.484 -28.139 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -22.101 -20.056 -27.977 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -15.869 -11.970 -23.382 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -16.488 -11.812 -22.640 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -16.389 -12.493 -24.020 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -24.495 -14.468 -22.613 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -24.808 -13.540 -22.588 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -23.848 -14.518 -21.880 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -20.532 -15.174 -19.577 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -21.215 -14.774 -20.153 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -21.029 -15.815 -19.028 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -22.755 -13.820 -20.536 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -23.284 -14.121 -19.762 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -22.733 -12.856 -20.444 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -24.027 -14.593 -18.252 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -24.984 -14.688 -18.057 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -23.776 -13.742 -17.805 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -25.840 -15.578 -27.985 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -26.319 -14.956 -27.401 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -25.448 -16.228 -27.369 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -17.818 -11.640 -21.319 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -18.234 -12.268 -20.706 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -17.426 -10.967 -20.733 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -17.602 -15.065 -15.569 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -18.448 -15.563 -15.538 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -17.172 -15.369 -16.399 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -19.064 -14.243 -27.619 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.752 -14.838 -27.271 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.501 -14.815 -28.153 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -19.837 -19.809 -33.980 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -19.020 -20.344 -34.100 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -20.229 -20.153 -33.159 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -19.205 -18.933 -28.280 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -20.021 -19.471 -28.371 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -18.572 -19.532 -27.872 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -23.327 -19.040 -27.277 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -23.946 -18.617 -26.649 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -23.021 -18.300 -27.842 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -23.116 -15.211 -24.876 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -23.607 -15.190 -24.025 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -22.796 -14.287 -24.982 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -19.328 -12.716 -19.000 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -20.160 -12.343 -18.617 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -19.550 -13.656 -19.175 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -24.898 -13.497 -15.025 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -24.390 -12.929 -15.660 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -25.592 -12.887 -14.660 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -21.047 -17.464 -31.410 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -20.985 -18.443 -31.471 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -20.122 -17.177 -31.231 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -13.955 -13.732 -29.791 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -14.578 -12.981 -29.844 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -13.249 -13.413 -29.185 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -27.145 -14.585 -23.591 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -26.283 -14.809 -23.198 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -27.576 -14.023 -22.914 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -11.679 -13.067 -17.183 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -11.333 -12.872 -18.083 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -11.791 -12.181 -16.779 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -20.422 -13.704 -16.432 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -21.091 -13.149 -16.888 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -20.859 -14.560 -16.321 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -23.823 -7.831 -26.770 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -24.209 -7.075 -26.275 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -23.089 -8.146 -26.199 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -27.771 -12.413 -18.786 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -27.311 -13.185 -18.394 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -28.300 -12.053 -18.044 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -16.651 -17.071 -32.494 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -17.377 -17.295 -31.875 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -17.029 -17.245 -33.380 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -26.548 -14.293 -17.169 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -27.344 -14.664 -16.733 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -26.005 -13.964 -16.426 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -21.328 -20.179 -31.269 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -22.287 -20.001 -31.225 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -21.104 -20.477 -30.369 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -22.759 -15.641 -15.104 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -23.362 -14.883 -15.212 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -23.193 -16.366 -15.604 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -15.150 -13.090 -16.545 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -15.372 -13.911 -17.033 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -14.211 -12.950 -16.731 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -14.233 -14.957 -19.792 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -13.954 -14.026 -19.985 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -14.588 -15.274 -20.632 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -14.965 -11.072 -25.913 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -15.516 -11.840 -26.167 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -15.245 -10.880 -24.998 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -18.072 -16.351 -19.508 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -18.245 -17.316 -19.562 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -18.948 -15.943 -19.656 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -19.948 -11.895 -24.284 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -19.496 -11.411 -25.021 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -19.332 -11.825 -23.544 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -21.161 -16.025 -26.710 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -20.654 -16.731 -26.287 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -21.832 -15.776 -26.034 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -25.115 -11.750 -19.502 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -26.060 -11.813 -19.262 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -24.647 -11.833 -18.650 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -22.309 -16.658 -18.031 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -22.899 -15.884 -18.185 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -22.878 -17.292 -17.545 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -13.550 -12.057 -33.476 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -13.738 -12.973 -33.800 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -13.783 -11.485 -34.241 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -18.481 -17.341 -30.409 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -18.705 -17.921 -29.649 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -17.825 -16.709 -30.042 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -27.837 -12.731 -21.591 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -27.868 -12.713 -20.611 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -28.632 -12.215 -21.863 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -22.305 -17.218 -28.977 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -21.799 -16.707 -28.312 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -21.764 -17.154 -29.793 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -24.682 -14.194 -32.136 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -24.455 -15.146 -32.204 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -25.660 -14.181 -32.107 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -24.799 -17.095 -25.909 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -24.161 -16.441 -25.549 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -25.442 -17.213 -25.199 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -26.216 -17.551 -14.676 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -25.821 -16.850 -14.118 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -27.110 -17.668 -14.308 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -26.398 -16.590 -30.521 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -26.159 -16.404 -29.589 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -26.785 -15.752 -30.836 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -23.986 -17.887 -16.230 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -23.817 -18.818 -16.048 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -24.884 -17.730 -15.853 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -23.793 -19.174 -30.300 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -23.363 -18.382 -29.915 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -24.182 -19.624 -29.538 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -18.858 -18.970 -19.286 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -19.244 -18.664 -18.432 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -18.891 -19.926 -19.230 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -11.449 -16.156 -32.862 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -11.566 -15.292 -32.421 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -12.350 -16.533 -32.891 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -27.323 -14.084 -31.187 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -28.201 -14.119 -31.603 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -27.485 -13.621 -30.333 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -29.656 -8.758 -23.460 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -29.541 -9.679 -23.144 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -30.615 -8.599 -23.372 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -25.573 -11.611 -25.087 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -25.880 -10.702 -25.297 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -25.485 -11.614 -24.108 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -16.529 -15.126 -13.048 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -16.783 -15.095 -13.996 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -15.743 -15.678 -13.030 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -10.327 -16.618 -35.269 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -10.654 -16.455 -34.352 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -9.689 -17.328 -35.168 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -16.225 -15.216 -17.954 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -16.938 -15.627 -18.507 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -15.448 -15.195 -18.554 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -25.335 -15.477 -13.140 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -26.158 -15.064 -12.813 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -24.976 -14.817 -13.770 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -25.350 -11.862 -22.287 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -26.295 -12.114 -22.169 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -25.050 -11.647 -21.375 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -22.518 -12.570 -24.715 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -21.558 -12.357 -24.588 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -22.948 -12.186 -23.939 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -21.142 -10.690 -20.493 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -20.336 -11.208 -20.597 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -21.462 -10.922 -19.595 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.128 -12.980 -28.801 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -28.409 -12.044 -28.696 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -27.941 -13.275 -27.889 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -24.617 -14.970 -6.745 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -25.339 -15.397 -7.248 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -24.959 -14.069 -6.560 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -16.802 -24.613 -6.567 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -15.933 -24.965 -6.772 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -16.702 -23.642 -6.692 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -21.900 -19.402 -2.622 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -21.544 -20.195 -3.074 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -22.803 -19.312 -2.981 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -23.715 -22.446 -3.999 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -22.764 -22.201 -4.021 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -23.714 -23.403 -4.054 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -30.227 -11.560 -6.955 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -30.248 -10.790 -6.358 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -31.159 -11.678 -7.222 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -28.133 -13.333 -7.649 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -28.820 -12.783 -7.214 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -28.309 -13.215 -8.605 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -13.278 -16.972 0.513 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -12.367 -17.310 0.406 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -13.771 -17.722 0.856 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -20.202 -18.996 -6.190 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -19.962 -18.290 -5.550 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -21.183 -18.968 -6.217 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -10.842 -16.210 -4.873 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -11.385 -16.853 -5.376 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -11.105 -16.360 -3.942 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -22.947 -18.646 -6.034 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -23.380 -19.165 -5.320 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -23.681 -18.446 -6.658 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -24.307 -19.812 -3.988 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -25.190 -19.655 -3.638 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -24.219 -20.796 -3.992 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -23.277 -14.129 -0.523 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -24.141 -13.660 -0.493 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -23.332 -14.768 0.194 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -18.034 -17.318 -8.868 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -18.182 -17.995 -9.567 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -17.822 -17.847 -8.067 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -25.220 -18.050 -7.444 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -25.504 -18.646 -8.142 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -25.889 -17.335 -7.452 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -20.451 -17.533 -1.304 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -21.052 -18.220 -1.684 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -20.754 -16.699 -1.717 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -16.044 -19.880 -8.942 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -16.637 -19.712 -9.697 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -16.556 -19.565 -8.163 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -16.138 -21.978 -6.970 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -16.089 -21.446 -7.783 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -16.149 -21.324 -6.259 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -21.097 -21.576 -4.093 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -20.642 -21.271 -4.891 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -20.645 -22.426 -3.866 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -18.963 -25.713 -5.361 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -19.068 -26.536 -5.842 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -18.176 -25.288 -5.780 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -20.559 -18.191 -11.647 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -21.470 -17.952 -11.922 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -20.006 -17.465 -12.000 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -14.431 -17.722 -3.402 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -13.565 -17.472 -3.013 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -15.002 -16.942 -3.236 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -18.438 -18.955 -2.508 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -18.769 -19.854 -2.386 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -18.980 -18.415 -1.890 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -23.520 -16.319 -4.603 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -23.281 -17.195 -4.950 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -24.250 -16.026 -5.174 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -18.637 -14.715 -3.237 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -19.463 -14.760 -2.697 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -18.350 -13.775 -3.149 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -17.550 -19.079 -6.856 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -18.509 -19.228 -6.674 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -17.127 -19.121 -5.965 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -20.909 -14.805 -1.722 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -21.850 -14.534 -1.650 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -20.605 -14.849 -0.789 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -19.233 -17.158 -4.430 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -18.932 -17.838 -3.795 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -18.999 -16.312 -4.001 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -18.993 -16.064 -12.332 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -19.308 -15.610 -11.523 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -18.077 -15.726 -12.454 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -15.301 -13.130 -1.584 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -15.122 -12.543 -0.815 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -14.907 -12.647 -2.351 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -16.218 -15.438 -9.603 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -16.775 -16.223 -9.446 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -15.347 -15.684 -9.218 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -34.471 -13.695 -8.400 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -34.041 -14.535 -8.579 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -35.315 -13.747 -8.902 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -26.971 -15.888 -7.904 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -27.462 -15.088 -7.617 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -27.267 -16.026 -8.831 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -16.421 -19.313 -4.410 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -17.084 -19.234 -3.695 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -15.637 -18.841 -4.060 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -27.886 -15.990 -10.520 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -27.994 -16.727 -11.147 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -27.775 -15.208 -11.091 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -29.115 -12.638 -10.161 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -28.630 -12.304 -10.954 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -29.481 -11.838 -9.755 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -20.035 -17.923 -17.079 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -20.811 -17.487 -17.481 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -19.947 -17.495 -16.205 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -18.382 -19.406 -10.579 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -18.428 -20.319 -10.880 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -19.190 -18.987 -10.967 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -15.904 -15.336 -3.337 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -16.880 -15.263 -3.395 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -15.653 -14.639 -2.701 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -22.934 -17.092 -12.653 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -23.816 -16.774 -12.403 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -22.754 -16.641 -13.495 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -20.051 -16.259 -14.860 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -20.998 -16.010 -14.801 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -19.731 -16.211 -13.931 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -19.998 -23.963 -3.543 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -19.665 -24.552 -4.261 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -19.804 -24.446 -2.736 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -27.768 -14.310 -12.906 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -27.769 -13.348 -12.674 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -27.952 -14.317 -13.871 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -27.058 -10.317 -5.319 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -28.005 -10.171 -5.217 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -26.765 -9.587 -5.930 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -14.341 -12.056 -3.872 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -14.949 -12.292 -4.612 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -13.473 -12.406 -4.156 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -12.004 -11.257 -0.497 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -11.562 -10.436 -0.799 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -11.616 -11.956 -1.056 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -14.068 -16.317 -8.232 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -13.978 -15.920 -7.348 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -13.742 -17.229 -8.121 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -12.873 -17.873 -5.701 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -13.424 -18.247 -4.988 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -13.094 -18.419 -6.487 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -12.015 -16.781 -2.418 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -11.515 -17.196 -1.689 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -12.417 -15.985 -2.007 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -13.115 -14.744 -1.012 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -13.954 -14.255 -1.128 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -13.319 -15.410 -0.314 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -13.562 -19.101 -8.037 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -12.954 -19.708 -8.469 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -14.440 -19.326 -8.422 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -22.055 -11.718 0.085 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -22.288 -12.645 -0.112 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -22.829 -11.207 -0.225 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -16.158 -9.298 0.748 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -15.542 -10.059 0.661 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -16.851 -9.483 0.101 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -25.450 -12.576 -0.007 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -25.015 -11.723 -0.225 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -26.334 -12.326 0.268 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -23.096 -12.134 -5.885 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -22.683 -12.292 -6.759 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -24.057 -12.233 -6.053 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -22.565 -10.125 -4.164 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -22.727 -10.889 -4.771 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -22.052 -10.503 -3.436 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -17.728 -12.192 -2.740 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -17.402 -11.345 -3.120 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -16.985 -12.507 -2.196 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -16.319 -9.997 -3.605 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -16.479 -9.484 -4.425 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -15.481 -10.461 -3.773 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -24.214 -10.258 -0.799 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -23.791 -9.380 -0.876 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -24.685 -10.370 -1.663 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -25.798 -12.523 -6.457 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -26.582 -12.860 -6.944 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -26.146 -11.755 -5.954 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -19.727 -5.823 -41.252 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -19.014 -5.328 -41.711 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -20.543 -5.327 -41.478 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -24.912 2.746 -39.134 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -25.339 3.266 -38.440 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -25.506 1.965 -39.248 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -26.014 -3.750 -43.040 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -26.462 -3.120 -43.610 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -25.104 -3.799 -43.405 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -25.408 3.872 -41.587 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -25.122 3.485 -40.731 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -25.969 4.631 -41.327 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -17.456 8.236 -41.548 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -17.324 7.376 -42.002 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -18.262 8.091 -40.995 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -11.478 -3.788 -42.550 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -10.696 -3.307 -42.917 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -12.089 -3.069 -42.273 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -25.823 -9.108 -38.955 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -25.065 -8.787 -38.404 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -25.456 -9.176 -39.848 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -14.500 -5.118 -43.203 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -14.334 -4.324 -43.746 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -15.103 -5.648 -43.744 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -24.928 -3.708 -38.706 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -24.470 -4.573 -38.605 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -24.198 -3.047 -38.669 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -10.703 -8.245 -38.193 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -10.739 -7.281 -38.031 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -9.982 -8.350 -38.855 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -17.620 2.174 -42.598 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -16.759 2.598 -42.477 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -18.230 2.918 -42.789 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -14.575 -8.154 -44.388 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -13.958 -8.426 -43.669 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -14.097 -7.431 -44.851 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -26.391 5.092 -37.566 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -27.163 5.590 -37.213 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -26.107 4.545 -36.814 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -14.343 -7.440 -38.442 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -14.371 -8.373 -38.737 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -14.085 -6.943 -39.249 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -19.388 -12.413 -41.113 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -20.215 -12.673 -41.566 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -18.726 -13.017 -41.462 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -17.391 5.799 -42.837 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -18.165 5.264 -43.115 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -17.039 6.169 -43.681 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -18.104 -0.222 -43.923 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -18.048 0.619 -43.423 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -18.909 -0.647 -43.588 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -20.274 -1.858 -42.758 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -20.679 -2.642 -42.348 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -20.563 -1.114 -42.186 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -16.026 -0.782 -45.614 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -15.852 0.085 -45.990 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -16.791 -0.633 -45.010 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -21.025 1.786 -43.360 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -20.979 1.210 -42.571 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -21.831 2.339 -43.207 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -26.573 0.686 -39.718 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -26.716 0.854 -40.675 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -26.233 -0.215 -39.683 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -19.572 4.090 -42.990 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -20.263 4.711 -42.672 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -20.079 3.297 -43.273 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -21.785 -1.980 -45.099 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -21.709 -1.088 -45.511 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -21.150 -1.953 -44.358 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -30.888 3.020 -33.051 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -31.522 3.346 -33.720 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -30.551 2.181 -33.434 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -29.721 7.687 -38.114 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -29.174 7.360 -37.353 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -30.488 7.076 -38.129 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -13.798 1.702 -35.803 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -13.307 2.464 -36.183 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -14.598 2.107 -35.417 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -12.797 -4.615 -34.445 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -12.570 -3.825 -34.980 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -13.013 -5.301 -35.115 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -15.950 -11.732 -37.314 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -15.546 -12.406 -37.909 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -16.874 -12.042 -37.193 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -21.954 -4.438 -42.096 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -22.583 -5.040 -41.648 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -22.458 -4.102 -42.862 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -17.008 -5.415 -45.022 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -16.967 -6.388 -45.130 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -17.802 -5.153 -45.549 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -14.990 -3.387 -45.304 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -15.798 -3.928 -45.325 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -15.303 -2.477 -45.502 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -26.473 -4.937 -40.605 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -25.995 -4.336 -39.988 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -26.461 -4.458 -41.464 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -20.943 -8.339 -41.889 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -21.611 -8.071 -42.547 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -20.486 -7.507 -41.659 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -24.029 -6.090 -41.234 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -24.937 -5.736 -41.311 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -23.873 -6.130 -40.261 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -19.357 -4.934 -46.296 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -19.816 -4.093 -46.399 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -20.031 -5.606 -46.532 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -16.691 -9.087 -40.684 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -16.543 -8.135 -40.876 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -17.402 -9.339 -41.284 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -16.154 6.022 -34.341 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -15.322 6.227 -34.810 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -16.217 6.718 -33.644 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -23.703 -7.424 -45.909 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -23.554 -7.525 -44.939 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -24.386 -8.071 -46.109 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -21.281 0.592 -45.845 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -21.182 1.051 -44.984 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -20.939 1.219 -46.486 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -12.086 -2.166 -39.101 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -12.495 -1.329 -38.767 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -12.366 -2.208 -40.038 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -20.939 0.198 -41.044 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -20.553 -0.377 -40.350 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -21.573 0.773 -40.551 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -23.295 5.894 -47.471 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -23.000 6.580 -48.071 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -24.251 5.952 -47.492 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -17.826 -4.351 -42.589 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -18.047 -3.419 -42.735 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -17.530 -4.670 -43.469 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -16.302 -6.385 -41.119 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -16.592 -5.639 -41.679 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -15.333 -6.254 -41.028 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -12.979 -6.638 -36.248 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -13.572 -6.981 -36.954 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -12.195 -6.313 -36.741 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -22.575 -10.336 -40.976 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -23.219 -10.155 -41.692 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -21.848 -9.689 -41.140 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -27.518 -2.376 -34.713 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -27.017 -1.569 -34.873 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -28.425 -2.163 -35.031 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -22.714 -2.127 -38.535 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -22.662 -1.488 -37.793 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -21.800 -2.224 -38.825 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -30.007 3.837 -37.632 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -29.373 4.052 -36.913 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -30.590 4.622 -37.681 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -15.031 2.882 -40.630 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -15.532 3.717 -40.525 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -15.524 2.238 -40.072 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -12.628 2.518 -39.188 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -13.422 2.883 -39.622 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -12.471 3.119 -38.430 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -15.954 2.530 -32.349 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -15.936 2.594 -33.323 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -15.270 3.178 -32.053 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -9.378 -2.262 -43.262 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -9.374 -1.423 -43.730 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -8.942 -2.060 -42.402 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -13.268 -6.219 -45.876 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -13.598 -5.364 -46.195 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -13.138 -6.751 -46.698 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -26.544 1.445 -42.351 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -26.178 2.336 -42.169 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -26.319 1.281 -43.271 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -13.963 -5.793 -32.176 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -13.603 -5.212 -32.877 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -13.211 -5.944 -31.583 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -12.998 -8.050 -47.889 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -12.956 -8.421 -48.774 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -12.987 -8.836 -47.298 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -13.489 -8.342 -34.132 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -13.884 -9.042 -34.694 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -13.213 -7.655 -34.771 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -27.254 -6.739 -38.701 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -26.771 -7.528 -39.008 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -27.085 -6.067 -39.401 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -16.565 -7.243 -36.754 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -17.254 -7.122 -37.431 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -15.737 -7.299 -37.270 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -16.518 7.249 -45.008 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -16.770 8.143 -44.678 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -15.998 7.428 -45.796 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -17.682 5.463 -36.560 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -17.054 5.898 -37.176 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -17.341 5.695 -35.671 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -14.299 -10.501 -35.541 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -14.888 -10.923 -36.208 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -13.432 -10.401 -36.012 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -23.529 3.885 -33.681 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -23.632 4.188 -32.749 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -24.358 4.190 -34.124 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -21.496 5.856 -42.057 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -21.681 5.893 -41.092 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -21.202 6.749 -42.276 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -16.838 4.977 -40.296 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -17.742 4.968 -39.954 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -16.934 5.298 -41.221 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -25.806 4.781 -34.821 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -26.760 4.572 -34.967 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -25.768 5.760 -34.870 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -22.216 2.102 -39.565 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -23.179 2.108 -39.377 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -21.951 3.020 -39.452 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -22.936 3.585 -42.781 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -22.532 4.465 -42.647 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -23.859 3.697 -42.476 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -18.114 -6.490 -39.121 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -18.840 -6.370 -39.771 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -17.304 -6.478 -39.671 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -13.166 -10.012 -45.976 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -12.531 -10.407 -45.369 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -13.774 -9.518 -45.396 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -12.476 -8.919 -42.868 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -12.336 -9.156 -41.924 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -12.024 -8.060 -42.967 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -23.400 -7.825 -43.265 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -23.673 -7.207 -42.549 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -23.907 -8.647 -43.080 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -21.299 -6.801 -46.964 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -22.146 -7.000 -46.497 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -21.521 -6.888 -47.897 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -17.099 -8.217 -45.377 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -16.236 -8.267 -44.905 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -17.023 -8.876 -46.077 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -15.960 3.356 -35.047 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -15.948 4.232 -34.602 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -16.396 3.529 -35.892 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -14.074 4.318 -31.540 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -13.895 4.579 -30.616 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -13.776 5.084 -32.066 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -18.263 -1.193 -29.746 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -17.657 -1.078 -30.484 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -18.492 -0.278 -29.477 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -12.355 -9.912 -32.300 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -12.738 -9.237 -32.913 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -12.727 -10.765 -32.625 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -18.368 -6.772 -32.229 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -18.866 -6.981 -33.039 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -17.465 -6.562 -32.557 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -14.229 7.416 -30.545 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -13.785 7.193 -31.386 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -13.956 6.709 -29.938 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -14.833 0.367 -30.880 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -14.803 0.575 -29.922 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -15.262 1.146 -31.284 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -10.238 -0.025 -24.522 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -9.754 0.689 -24.064 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -10.515 0.384 -25.370 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -14.444 0.928 -28.159 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -14.348 0.664 -27.240 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -13.672 1.508 -28.325 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -16.061 -6.691 -33.677 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -15.271 -6.404 -33.159 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -15.868 -6.401 -34.584 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -31.059 -5.318 -27.778 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -30.528 -6.134 -27.704 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -31.920 -5.623 -28.143 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -26.239 -9.239 -26.348 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -26.690 -9.474 -27.172 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -25.447 -8.741 -26.639 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -23.338 -3.623 -2.929 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -24.261 -3.354 -2.727 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -22.874 -3.545 -2.068 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -25.561 1.400 -4.948 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -25.709 0.462 -4.707 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -25.335 1.830 -4.096 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -18.362 7.105 -5.605 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -18.773 6.997 -4.721 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -17.392 7.042 -5.425 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -10.701 -5.392 -0.930 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -11.103 -4.511 -0.995 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -10.379 -5.578 -1.844 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -25.131 2.622 -2.521 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -24.881 3.532 -2.786 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -24.631 2.472 -1.681 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -12.028 -7.491 0.331 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -11.623 -8.150 -0.272 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -11.789 -6.631 -0.066 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -12.595 0.514 -0.330 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -12.414 -0.430 -0.438 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -11.838 0.960 -0.792 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -11.156 -5.438 -5.787 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -11.395 -6.215 -6.301 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -11.781 -4.734 -6.108 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -19.824 3.616 -1.498 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -20.222 2.784 -1.165 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -20.572 4.083 -1.925 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -24.286 -3.317 0.598 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -23.362 -3.311 0.245 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -24.178 -3.136 1.557 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -25.643 -2.919 -1.763 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -26.225 -2.185 -1.470 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -25.264 -3.265 -0.925 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -27.464 1.251 -2.345 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -26.647 1.802 -2.317 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -28.058 1.740 -2.925 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -19.569 6.166 -0.364 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -19.389 5.223 -0.535 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -20.472 6.173 -0.003 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -13.962 -4.716 0.728 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -14.449 -4.176 1.397 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -14.053 -5.636 1.057 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -23.692 2.480 -0.245 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -23.702 3.067 0.538 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -22.779 2.129 -0.269 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -17.259 -7.210 2.393 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -16.398 -6.900 2.722 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -17.068 -8.096 2.030 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -15.806 -4.596 -1.389 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -16.498 -4.959 -0.799 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -15.010 -4.560 -0.824 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -22.764 -7.981 -1.509 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -22.465 -7.308 -0.860 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -21.968 -8.543 -1.655 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -23.583 4.250 1.887 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -24.208 4.100 2.605 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -22.697 4.219 2.329 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -27.701 -6.190 0.278 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -27.768 -7.149 0.256 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -26.748 -6.021 0.451 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -14.675 3.429 0.644 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -14.254 4.288 0.837 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -14.310 2.825 1.322 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -13.374 1.438 2.113 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -12.602 1.414 2.691 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -13.033 1.127 1.243 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -17.462 4.763 -2.644 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -17.979 5.523 -2.953 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -18.129 4.170 -2.246 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -13.606 5.987 0.301 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -13.965 6.838 0.569 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -14.050 5.795 -0.553 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -28.454 -6.349 -2.791 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -28.721 -5.902 -1.974 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -28.963 -7.187 -2.783 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -27.161 -0.907 -0.791 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -26.804 -0.591 0.043 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.402 -0.087 -1.277 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -14.455 -7.281 1.601 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -13.545 -7.484 1.286 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -15.005 -7.989 1.211 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -15.680 7.048 -5.361 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -15.312 7.573 -6.107 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -14.915 6.605 -4.982 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -21.199 4.045 3.072 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -21.290 3.069 3.210 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -20.266 4.218 3.217 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -21.189 1.349 -0.620 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -21.364 0.586 -1.181 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -20.850 0.956 0.219 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -15.297 1.081 -0.603 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -14.323 1.023 -0.670 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -15.454 1.964 -0.221 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -25.013 -5.930 0.823 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -24.837 -4.966 0.780 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -24.243 -6.330 0.393 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -20.279 -0.128 1.444 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -19.467 -0.221 1.989 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -20.377 -1.010 1.013 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.715 -1.330 -0.580 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -18.608 -1.670 -0.366 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -17.788 -0.377 -0.457 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -14.945 -1.618 -0.375 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -15.838 -2.013 -0.424 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -15.092 -0.677 -0.613 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -22.272 -7.808 2.593 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -22.525 -7.426 1.739 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -21.470 -7.315 2.843 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -25.232 -10.362 -3.264 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -24.429 -10.148 -3.770 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -25.950 -10.346 -3.933 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -21.987 -6.157 0.344 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -21.225 -6.208 0.967 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -22.005 -5.206 0.069 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -18.205 -3.464 1.714 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -18.948 -3.105 1.175 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -17.931 -4.268 1.231 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -17.764 -5.726 0.198 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -17.482 -6.306 0.942 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -18.631 -6.072 -0.052 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -26.086 -5.158 -3.608 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -26.866 -5.735 -3.462 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -26.180 -4.460 -2.942 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -20.592 -9.649 1.052 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -21.035 -10.515 0.897 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -21.112 -9.241 1.764 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -20.545 -9.537 -1.702 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -19.986 -10.265 -2.000 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -20.483 -9.574 -0.720 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -26.134 5.880 -7.415 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -25.781 5.204 -6.798 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -25.468 6.588 -7.396 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -27.032 0.926 -7.247 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -26.514 1.186 -6.464 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -27.050 1.734 -7.799 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -9.270 4.735 -3.032 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -8.622 4.204 -2.542 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -10.048 4.780 -2.440 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -11.737 4.703 -1.542 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -12.578 4.641 -2.024 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -11.980 5.114 -0.697 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -10.549 1.667 -1.606 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -9.681 1.318 -1.909 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -10.550 2.588 -1.900 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -27.247 -1.779 -6.370 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -27.282 -0.923 -6.847 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -26.967 -1.534 -5.462 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -15.537 -3.401 2.482 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -15.355 -2.461 2.662 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -16.507 -3.447 2.407 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -12.515 -3.006 -0.880 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -12.747 -3.734 -0.262 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -13.332 -2.470 -0.920 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -25.721 -4.676 -6.330 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -26.097 -3.792 -6.213 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -25.733 -5.063 -5.425 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -30.187 -8.470 -2.721 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -29.998 -9.032 -3.489 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -31.068 -8.101 -2.909 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -21.869 5.203 -2.477 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -22.107 5.539 -1.585 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -22.731 5.110 -2.936 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -14.466 -11.501 0.526 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -13.567 -11.344 0.136 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -14.282 -11.817 1.417 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -21.299 8.791 -4.152 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -21.299 9.720 -3.819 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -20.746 8.312 -3.517 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -19.564 6.698 -3.079 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -20.371 6.143 -3.124 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -19.393 6.786 -2.115 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -14.786 4.784 -1.861 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -15.673 4.827 -2.289 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -14.899 4.126 -1.149 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -24.887 3.864 -6.019 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -24.257 3.775 -6.770 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -25.139 2.940 -5.807 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -14.275 5.302 -12.373 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -14.021 6.211 -12.662 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -13.527 4.756 -12.636 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -20.265 -1.906 4.151 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -19.446 -1.412 3.957 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -20.761 -1.322 4.761 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -18.038 -0.914 2.814 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -17.101 -0.637 2.739 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -18.033 -1.851 2.528 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -15.340 -0.608 2.263 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -15.178 -0.890 1.342 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -14.773 0.180 2.373 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -20.249 -15.758 0.775 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -20.283 -16.550 0.198 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -19.933 -16.091 1.616 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -20.054 -6.164 2.272 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -19.167 -6.416 2.595 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -20.184 -5.253 2.606 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -24.432 -6.100 3.602 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -24.841 -6.185 2.723 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -23.776 -6.817 3.629 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -21.947 -0.230 5.547 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -22.840 -0.542 5.254 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -22.058 -0.044 6.484 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -24.348 -1.056 4.648 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -24.206 -1.938 4.236 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -25.235 -0.812 4.379 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -21.518 1.405 3.367 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -21.164 0.790 2.692 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -21.684 0.836 4.147 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -23.924 -3.418 3.334 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -24.222 -4.310 3.628 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -22.969 -3.543 3.131 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -21.361 -3.605 2.392 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -21.120 -3.245 1.511 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -20.925 -2.989 3.032 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -26.985 8.016 -38.766 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -27.938 8.129 -38.588 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -26.950 7.294 -39.423 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -24.108 17.239 -36.396 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -24.044 17.876 -35.658 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -25.007 17.381 -36.755 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -15.799 6.582 -38.236 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -15.965 6.006 -39.010 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -15.738 7.490 -38.622 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -21.847 6.068 -39.355 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -22.581 6.493 -38.877 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -21.299 5.660 -38.642 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -14.162 8.686 -34.584 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -15.025 8.768 -34.135 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -13.834 9.606 -34.633 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -21.039 23.974 -34.079 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -21.391 24.843 -34.293 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -21.819 23.377 -34.141 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -26.860 17.402 -36.773 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -26.807 17.019 -35.878 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -27.630 16.955 -37.177 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -29.572 23.215 -37.966 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -30.221 23.862 -37.593 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -29.294 23.613 -38.797 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -13.622 11.462 -34.167 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -13.628 12.265 -34.738 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -12.672 11.193 -34.144 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -23.241 22.394 -34.425 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -24.086 22.909 -34.416 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -23.405 21.686 -35.060 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -24.472 7.259 -37.870 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -25.182 7.777 -38.305 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -24.857 6.369 -37.774 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -19.553 7.551 -40.001 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -20.350 7.013 -39.857 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -19.463 8.069 -39.171 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -18.050 12.848 -34.826 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -18.561 12.305 -35.472 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -18.374 13.761 -34.975 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -23.358 11.071 -33.949 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -23.683 10.177 -33.709 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -23.721 11.651 -33.252 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -18.575 15.625 -35.132 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -19.370 15.849 -35.667 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -18.336 16.469 -34.704 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -26.418 20.670 -33.233 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -27.290 20.585 -33.665 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -26.464 21.531 -32.773 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -22.483 11.908 -36.400 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -22.665 12.865 -36.481 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -22.852 11.667 -35.519 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.139 20.867 -35.475 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -19.052 21.412 -36.263 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -18.942 21.482 -34.736 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -29.475 16.487 -37.284 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -29.198 15.977 -36.484 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -30.263 16.009 -37.608 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -24.454 8.612 -33.193 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -25.008 8.244 -33.912 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -24.762 8.160 -32.401 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -19.701 11.483 -36.575 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -19.602 10.646 -37.060 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -20.667 11.645 -36.573 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -22.723 14.875 -36.259 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -23.295 15.643 -36.483 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -21.827 15.257 -36.219 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -27.089 5.615 -40.173 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -26.863 5.287 -39.274 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -28.024 5.396 -40.276 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -32.314 23.636 -34.599 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -31.890 23.314 -33.791 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -32.613 24.546 -34.368 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -26.622 23.193 -32.023 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -27.406 23.456 -31.521 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -25.894 23.227 -31.363 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -24.511 18.907 -34.118 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -23.695 19.236 -33.684 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -25.204 19.551 -33.836 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -21.139 19.041 -34.980 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -21.628 19.408 -34.213 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -20.429 19.696 -35.145 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -24.550 14.466 -34.262 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -23.886 14.571 -34.975 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -25.091 15.275 -34.319 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -24.018 13.039 -32.071 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -24.407 13.508 -31.304 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -24.312 13.573 -32.852 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -22.302 9.060 -37.167 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -22.607 9.965 -36.962 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -23.119 8.567 -37.362 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -20.688 16.777 -36.382 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -20.882 17.120 -37.260 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -20.933 17.520 -35.775 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -15.862 16.115 -35.198 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -16.712 15.772 -35.531 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -16.052 17.044 -34.983 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -21.314 13.185 -32.624 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -22.282 13.097 -32.490 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -21.140 12.670 -33.422 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -19.667 8.785 -37.572 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -20.642 8.878 -37.427 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -19.356 8.307 -36.795 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -16.246 10.683 -33.606 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -16.892 11.304 -33.985 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -15.382 11.121 -33.744 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -26.232 16.703 -33.996 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -26.343 16.676 -33.020 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -25.640 17.472 -34.144 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -21.720 5.422 -35.111 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -22.008 6.312 -34.877 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -22.342 4.836 -34.636 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -15.858 18.467 -29.952 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -16.108 18.038 -30.779 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -16.281 19.351 -30.005 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -17.602 18.338 -34.650 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -18.102 18.890 -35.269 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -17.415 18.940 -33.895 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -13.987 13.875 -35.385 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -14.156 14.738 -35.789 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -14.593 13.850 -34.621 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -28.463 15.271 -35.119 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -27.730 15.548 -34.542 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -29.010 14.684 -34.552 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -11.025 10.764 -34.037 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -10.214 10.360 -34.352 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -10.763 11.205 -33.191 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -30.873 10.109 -37.583 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -30.471 9.222 -37.738 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -30.941 10.494 -38.465 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -28.879 20.561 -34.546 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -28.938 20.074 -35.395 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -29.500 20.085 -33.958 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -14.034 6.380 -36.145 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -14.609 6.448 -36.943 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -13.943 7.306 -35.837 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -17.160 9.646 -43.865 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -17.268 9.241 -42.977 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -17.197 10.592 -43.700 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -15.784 8.982 -39.512 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -15.840 9.932 -39.380 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -16.327 8.816 -40.313 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -20.270 5.021 -37.414 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -20.787 5.070 -36.579 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -19.339 5.155 -37.126 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -17.186 19.259 -24.660 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -16.981 19.001 -25.581 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -17.293 20.229 -24.700 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -26.964 19.899 -22.016 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -26.730 19.200 -21.385 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -26.211 20.518 -21.977 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -16.865 21.406 -27.445 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -17.024 21.793 -26.562 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -16.558 20.496 -27.256 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -21.881 16.612 -21.265 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -21.233 16.344 -21.941 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -21.339 17.056 -20.575 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -21.174 21.845 -26.094 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -20.526 21.704 -25.396 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -21.720 21.020 -26.086 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -24.292 17.883 -21.550 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -23.469 17.345 -21.524 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -24.313 18.235 -22.469 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -19.422 22.905 -20.369 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -20.307 22.525 -20.357 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -19.051 22.674 -19.489 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -17.022 22.047 -24.755 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -16.107 22.330 -24.652 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -17.483 22.450 -23.981 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -17.761 23.347 -22.478 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -18.417 23.137 -21.773 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -17.247 24.070 -22.110 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -14.384 21.270 -18.010 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -15.031 21.979 -18.120 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -14.420 20.778 -18.860 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -13.526 15.606 -18.849 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -13.050 15.331 -19.666 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -14.459 15.477 -19.062 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -18.539 21.808 -18.038 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -18.073 21.107 -18.542 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -18.681 21.419 -17.169 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -22.067 20.060 -18.466 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -22.969 20.009 -18.851 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -22.207 20.442 -17.578 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -23.957 18.909 -24.066 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -24.578 19.654 -24.170 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -23.357 18.993 -24.837 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -12.354 2.570 -28.853 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -12.067 2.383 -29.755 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -12.695 3.487 -28.897 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -22.549 18.170 -15.396 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -22.481 19.111 -15.653 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -21.617 17.855 -15.385 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -22.198 24.937 -26.780 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -22.435 24.271 -27.452 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -21.301 24.700 -26.520 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -24.592 19.745 -19.605 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -24.389 19.066 -20.290 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -25.465 19.466 -19.245 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -27.776 15.367 -18.400 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -27.297 15.970 -17.817 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -27.745 15.804 -19.274 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -20.695 17.794 -19.131 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -21.139 18.640 -18.886 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -19.971 17.705 -18.481 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -22.130 20.605 -30.280 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -22.166 21.372 -29.689 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -22.322 19.836 -29.687 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -18.480 18.914 -14.221 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -19.130 18.282 -14.591 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -17.900 19.131 -14.978 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -13.198 14.023 -29.280 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -13.498 13.754 -30.177 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -13.319 14.998 -29.268 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -11.681 20.977 -17.342 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -12.586 21.270 -17.558 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -11.419 20.442 -18.108 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -22.352 20.920 -15.833 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -21.822 20.776 -15.013 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -22.741 21.792 -15.712 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -22.658 22.602 -28.224 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -21.976 22.378 -27.548 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -23.444 22.079 -27.949 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -17.377 20.784 -30.031 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -18.342 20.828 -30.013 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -17.104 21.162 -29.159 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -16.135 18.771 -27.163 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -16.177 18.499 -28.102 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -15.245 18.473 -26.872 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -30.120 22.911 -22.119 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -29.992 22.553 -21.216 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -29.436 23.610 -22.198 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -18.655 22.764 -33.502 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -18.232 23.400 -32.914 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -19.539 23.164 -33.692 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -25.356 20.259 -30.165 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -25.030 19.611 -30.804 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -26.301 20.387 -30.413 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -24.844 22.987 -29.962 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -23.979 23.120 -29.535 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -24.929 22.011 -30.030 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -28.060 20.742 -30.347 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -28.455 19.912 -29.999 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -28.827 21.232 -30.723 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -27.137 24.447 -29.150 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -26.913 25.007 -28.379 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -26.307 23.970 -29.348 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -20.894 20.202 -13.625 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -21.185 19.659 -12.873 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -19.945 19.986 -13.720 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -29.853 17.985 -18.854 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -30.735 18.222 -18.503 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -30.021 17.173 -19.387 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -22.440 20.282 -32.946 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -22.245 20.376 -31.983 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -22.673 21.190 -33.233 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -23.895 16.711 -18.961 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -24.402 16.974 -19.749 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -22.972 16.797 -19.237 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -17.316 20.344 -32.769 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -17.181 20.524 -31.819 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -17.729 21.158 -33.108 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -27.980 16.579 -20.938 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -27.604 16.041 -21.640 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -28.930 16.299 -20.897 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -18.423 17.255 -17.571 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -17.811 16.784 -18.176 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -17.869 17.958 -17.171 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -15.932 14.013 -33.414 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -15.938 14.888 -33.854 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -16.734 13.567 -33.757 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -29.067 23.316 -27.411 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -28.457 22.546 -27.380 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -28.713 23.864 -28.136 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -27.387 21.212 -27.690 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -27.557 21.080 -28.646 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -26.416 21.107 -27.604 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -11.762 19.893 -14.848 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -11.305 20.526 -14.286 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -11.598 20.221 -15.765 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -13.574 17.950 -26.604 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -13.535 17.427 -25.769 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -12.768 18.480 -26.586 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -10.680 15.677 -24.714 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -10.493 15.113 -25.502 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -9.807 15.753 -24.262 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -15.253 18.675 -22.794 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -14.652 18.172 -23.365 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -16.029 18.864 -23.369 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -11.457 25.375 -19.995 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -10.869 24.881 -19.421 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -11.084 26.257 -20.017 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -13.679 16.771 -29.132 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -14.342 17.373 -29.510 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -13.573 17.080 -28.213 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -14.000 12.990 -31.701 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -14.760 13.440 -32.124 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -13.721 12.333 -32.358 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -17.152 19.823 -19.323 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -16.252 19.830 -19.726 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -17.673 19.268 -19.921 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -16.134 8.126 -32.567 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -15.657 8.103 -31.714 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -16.345 9.077 -32.702 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -10.472 11.968 -31.689 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -10.401 11.474 -30.840 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -10.893 12.799 -31.443 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -26.797 23.387 -20.292 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -27.250 23.736 -19.518 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -27.227 23.838 -21.047 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -24.930 21.778 -21.394 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -25.576 22.339 -20.903 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -24.619 21.132 -20.724 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -28.099 24.753 -22.353 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -28.009 25.709 -22.281 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -28.109 24.588 -23.329 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -24.518 25.342 -25.373 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -23.648 25.297 -25.829 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -24.447 24.677 -24.657 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -28.347 24.685 -25.053 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -28.835 24.105 -25.668 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -27.744 25.186 -25.634 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -24.652 20.855 -27.588 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -23.952 20.265 -27.190 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -24.819 20.457 -28.474 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -25.312 21.241 -24.845 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -24.901 22.049 -24.488 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -25.047 21.231 -25.784 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -29.975 24.604 -31.735 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -29.599 25.285 -31.166 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -29.709 24.876 -32.645 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -25.612 23.636 -34.531 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -25.961 23.599 -33.616 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -26.403 23.510 -35.090 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -26.912 12.018 -12.426 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -27.853 11.902 -12.176 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -26.955 12.492 -13.281 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -23.726 12.949 -6.587 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -23.676 12.223 -7.244 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -24.506 12.743 -6.066 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -19.567 11.534 -14.645 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -18.792 11.814 -15.157 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -19.207 10.930 -13.973 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -21.164 12.853 -5.503 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -22.043 13.063 -5.879 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -20.603 12.673 -6.289 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -13.798 10.818 -6.350 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -13.899 10.692 -5.404 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -14.161 9.996 -6.743 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -24.384 5.071 -3.627 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -24.614 6.002 -3.751 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -24.554 4.664 -4.508 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -16.536 16.870 -13.411 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -17.170 17.608 -13.431 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -16.963 16.199 -12.843 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -19.704 14.865 -13.683 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -20.239 15.264 -12.952 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -18.828 14.703 -13.271 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -15.915 13.003 -10.741 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -16.590 12.309 -10.561 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -15.282 12.916 -9.991 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -17.646 14.840 -11.848 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -18.205 14.976 -11.070 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -16.970 14.191 -11.546 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -25.405 15.783 -13.962 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -25.091 14.867 -13.838 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -25.090 16.023 -14.869 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -21.136 11.355 -3.253 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -21.143 11.860 -4.101 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -20.950 12.020 -2.588 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -16.961 19.330 -16.564 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -16.865 19.586 -17.504 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -16.052 19.426 -16.195 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -23.560 10.947 -8.423 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -24.192 11.027 -9.169 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -22.682 10.965 -8.854 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -19.782 12.141 -7.825 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -20.346 11.746 -8.512 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -18.890 12.086 -8.194 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -17.819 11.190 -9.974 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -17.570 10.500 -9.331 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -18.211 10.693 -10.721 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -26.976 9.658 -9.031 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -26.364 10.185 -9.579 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -26.457 9.464 -8.217 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -27.232 13.141 -14.937 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -27.412 14.100 -14.807 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -27.868 12.881 -15.634 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -20.054 8.742 -9.107 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -20.541 9.550 -9.361 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -20.491 8.445 -8.278 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -25.143 11.090 -10.611 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -25.820 11.535 -11.177 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -24.528 10.700 -11.248 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -24.590 13.136 -14.141 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -24.398 12.355 -13.589 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -25.487 12.965 -14.501 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -15.351 8.828 -15.093 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -14.632 8.458 -14.534 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -16.124 8.806 -14.523 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -28.039 15.747 -14.684 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -27.186 16.036 -14.298 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -28.268 16.461 -15.316 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -20.059 17.011 -15.392 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -19.862 16.211 -14.859 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -19.507 16.905 -16.199 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -24.344 16.396 -16.336 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -24.302 16.429 -17.320 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -23.714 17.092 -16.049 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -18.922 9.614 -12.129 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -18.754 8.683 -11.887 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -19.907 9.660 -12.233 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -21.263 11.175 -9.969 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -21.311 10.660 -10.818 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -21.378 12.101 -10.250 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -18.887 7.003 -10.947 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -19.391 7.585 -10.341 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -18.612 6.263 -10.385 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -29.059 13.374 -17.066 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -29.461 12.820 -17.752 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -28.562 14.063 -17.571 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -23.510 6.908 -6.519 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -23.390 5.979 -6.768 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -22.601 7.280 -6.542 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -21.126 15.760 -11.606 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -21.826 15.191 -11.232 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -21.426 16.671 -11.414 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -21.885 18.496 -11.350 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -22.216 19.049 -10.637 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -22.683 18.311 -11.904 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -22.826 13.533 -11.020 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -23.683 13.480 -10.581 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -22.837 12.785 -11.665 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -14.385 19.711 -15.746 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -14.303 20.264 -16.553 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -13.524 19.825 -15.292 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -22.379 6.021 0.130 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -22.614 6.862 0.537 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -22.850 5.352 0.674 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -14.147 17.158 -14.752 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -14.349 18.053 -15.089 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -14.955 16.906 -14.249 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -11.421 17.173 -14.403 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -12.362 16.907 -14.340 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -11.459 18.146 -14.514 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -14.212 12.321 -8.676 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -13.431 11.976 -9.119 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -14.139 11.979 -7.761 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -29.025 9.373 -10.874 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -29.158 10.281 -11.202 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -28.356 9.470 -10.165 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -20.843 7.821 -6.613 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -21.095 8.290 -5.780 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -19.950 7.467 -6.423 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -14.944 8.604 -7.490 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -14.475 8.364 -8.322 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -15.843 8.867 -7.792 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -14.110 8.063 -10.027 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -14.844 7.735 -10.565 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -13.760 8.832 -10.541 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -25.100 9.072 -7.132 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -24.458 9.742 -7.445 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -24.541 8.364 -6.755 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -18.414 6.003 -8.240 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -17.586 5.641 -8.618 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -18.141 6.391 -7.389 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -17.569 9.129 -8.028 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -18.382 8.868 -8.517 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -17.806 9.008 -7.097 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -24.215 23.584 -23.270 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -24.464 22.851 -22.656 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -23.822 24.248 -22.693 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -26.104 27.106 -16.624 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -26.737 27.342 -15.943 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -25.522 27.865 -16.683 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -26.625 25.990 -26.873 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -25.837 25.727 -26.330 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -26.551 26.946 -26.944 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -10.212 -9.997 -34.109 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -9.828 -10.820 -33.752 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -10.878 -9.745 -33.451 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -7.101 -17.779 -18.843 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -7.729 -18.473 -19.061 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -7.647 -16.970 -18.802 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -3.281 -10.225 -20.258 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -4.023 -10.821 -20.436 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -3.390 -9.504 -20.917 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 0.608 -15.226 -22.912 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 1.159 -15.877 -23.395 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 1.262 -14.645 -22.472 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -4.252 -13.219 -18.281 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -4.886 -13.615 -18.892 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -3.384 -13.343 -18.728 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -9.213 -15.988 -18.491 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -9.173 -16.386 -17.593 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -10.176 -15.888 -18.662 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 2.708 -16.664 -23.875 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 3.071 -17.057 -23.060 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 3.292 -15.895 -24.053 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 0.372 -14.482 -27.379 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 0.572 -15.244 -26.817 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 0.996 -14.557 -28.111 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -1.560 -13.727 -22.333 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -0.829 -14.333 -22.609 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -1.887 -13.359 -23.163 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -1.957 -13.719 -19.673 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -1.417 -14.460 -19.365 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -1.932 -13.795 -20.661 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -9.224 -17.128 -16.002 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -9.710 -17.898 -15.692 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -8.313 -17.252 -15.629 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -3.643 -11.361 -29.119 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -3.729 -11.731 -30.000 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -3.049 -11.991 -28.650 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -10.614 -12.419 -19.658 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -9.700 -12.702 -19.454 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -10.604 -12.257 -20.627 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -6.636 -11.850 -20.705 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -7.166 -11.027 -20.604 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -7.114 -12.509 -20.165 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -3.585 -9.379 -27.189 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -3.574 -9.882 -28.031 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -4.033 -9.981 -26.564 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -10.832 -12.117 -22.412 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -11.652 -11.868 -22.900 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -10.558 -12.941 -22.823 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -11.941 -15.566 -18.348 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -12.760 -15.531 -18.883 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -11.927 -14.709 -17.880 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 6.417 -11.391 -16.845 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 5.959 -10.770 -16.225 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 7.178 -11.702 -16.340 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -4.080 -17.712 -15.009 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -4.258 -17.855 -15.969 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -3.720 -18.552 -14.709 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -1.651 -10.305 -18.059 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -2.338 -10.337 -18.765 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -2.013 -10.867 -17.345 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -2.004 -12.990 -27.690 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -1.238 -13.593 -27.680 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -2.005 -12.590 -26.799 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -4.671 -11.436 -25.600 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -5.208 -12.037 -26.128 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -5.204 -11.293 -24.779 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 2.863 -17.906 -21.337 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 1.928 -17.929 -21.555 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 3.009 -18.721 -20.817 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 2.596 -11.523 -18.234 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 2.357 -11.556 -17.286 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 3.215 -10.770 -18.298 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -8.094 -13.493 -18.891 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -7.662 -13.386 -18.021 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -8.477 -14.398 -18.855 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 4.167 -14.341 -24.165 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 3.735 -13.477 -24.302 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 4.873 -14.155 -23.540 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -11.930 -12.440 -28.494 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -11.283 -12.669 -27.820 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -11.420 -11.911 -29.148 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -8.439 -12.522 -14.550 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -9.078 -13.225 -14.822 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -7.690 -12.632 -15.171 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -0.147 -13.214 -17.164 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 0.475 -13.774 -17.666 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 0.431 -12.691 -16.562 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -4.705 -18.374 -17.593 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -4.284 -18.719 -18.383 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -5.599 -18.101 -17.898 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 2.950 -20.329 -19.947 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 3.315 -20.523 -19.078 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 2.918 -21.184 -20.389 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -12.007 -13.640 -31.810 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -12.591 -13.143 -32.415 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -12.583 -13.852 -31.046 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -12.783 -6.235 -28.071 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -12.491 -6.138 -28.993 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -12.016 -6.650 -27.620 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 4.682 -12.929 -20.512 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 4.422 -13.454 -19.729 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 5.359 -12.312 -20.173 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 6.435 -11.019 -19.589 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 6.284 -11.059 -18.615 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 7.358 -10.757 -19.673 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 4.667 -15.498 -14.002 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 4.237 -14.871 -13.372 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 4.503 -15.105 -14.875 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 1.350 -14.185 -19.312 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 1.576 -14.122 -20.264 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 2.210 -14.387 -18.879 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 0.637 -12.431 -25.522 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 0.542 -13.126 -26.200 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -0.282 -12.147 -25.340 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -13.454 -12.428 -20.316 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -13.788 -11.571 -20.655 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -12.524 -12.249 -20.092 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -6.484 -13.228 -16.487 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -6.003 -13.629 -15.732 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -5.777 -13.009 -17.121 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 2.375 -13.479 -21.769 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 2.445 -12.946 -22.590 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 3.250 -13.356 -21.333 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -13.058 -11.866 -23.971 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -13.370 -11.604 -24.853 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -13.882 -11.985 -23.455 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -10.666 -10.870 -30.363 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -11.299 -10.476 -30.996 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -9.981 -11.263 -30.932 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -9.752 -12.306 -32.616 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -10.545 -12.792 -32.296 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -9.192 -12.993 -32.993 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 3.904 -14.726 -18.533 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 4.279 -15.586 -18.756 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 4.381 -14.460 -17.710 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 3.385 -19.540 -2.331 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 2.939 -18.806 -1.845 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 2.675 -19.963 -2.823 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -8.559 -14.843 -5.856 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -9.341 -15.406 -5.692 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -8.289 -14.555 -4.980 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 0.303 -12.904 -7.505 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 0.735 -13.722 -7.829 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -0.049 -13.147 -6.639 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -14.113 -15.397 -5.515 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -13.699 -16.278 -5.416 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -14.835 -15.396 -4.854 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 4.221 -15.053 -8.040 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 4.498 -14.127 -8.207 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 4.996 -15.577 -8.265 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 4.823 -16.811 -1.071 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 3.874 -17.060 -1.047 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 4.920 -16.177 -0.327 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 7.738 -19.841 -4.930 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 7.131 -20.170 -5.621 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 7.999 -20.645 -4.437 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 1.535 -15.143 -8.445 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 2.497 -15.058 -8.237 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 1.363 -16.087 -8.372 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -3.915 -13.062 -6.163 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -3.593 -12.492 -6.896 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -4.779 -13.398 -6.488 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -0.657 -10.877 -2.544 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -1.334 -10.164 -2.662 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -0.743 -11.421 -3.358 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -0.579 -10.445 -8.031 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -0.232 -10.066 -7.191 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -0.232 -11.372 -8.034 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -6.018 -11.517 -2.601 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -6.864 -11.952 -2.337 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -5.455 -12.262 -2.923 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 5.372 -13.930 -16.421 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 5.506 -12.987 -16.638 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 6.105 -14.135 -15.796 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -11.059 -13.302 -2.103 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -11.719 -13.856 -1.633 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -11.355 -13.322 -3.037 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 6.072 -13.031 0.088 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 5.740 -13.914 0.352 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 5.260 -12.475 0.057 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -3.927 -11.266 1.428 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -3.063 -11.101 0.983 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -3.977 -12.249 1.502 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -0.945 -10.227 -12.163 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -0.203 -10.692 -11.720 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -0.665 -9.286 -12.164 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 1.324 -11.101 -10.829 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 1.717 -10.856 -9.971 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 1.257 -12.085 -10.789 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 7.176 -19.890 -15.302 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 7.563 -19.007 -15.144 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 6.262 -19.804 -14.993 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 2.624 -13.223 5.809 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 2.718 -12.536 5.117 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 2.665 -12.731 6.635 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 5.219 -17.877 -3.634 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 5.087 -17.230 -2.912 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 4.619 -18.610 -3.404 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 0.887 -15.094 -0.531 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 0.848 -15.109 0.448 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 1.142 -14.178 -0.747 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 8.911 -22.504 -11.844 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 8.948 -22.627 -12.809 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 8.933 -21.540 -11.730 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 5.097 -16.450 3.618 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 5.323 -17.406 3.745 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 4.210 -16.366 3.994 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 3.437 -13.572 -12.503 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 3.234 -12.710 -12.920 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 2.662 -13.747 -11.930 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 2.212 -17.539 -0.924 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 1.651 -16.748 -0.768 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 2.070 -18.098 -0.128 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -6.148 -13.022 -12.117 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -6.937 -12.458 -12.022 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -6.067 -13.463 -11.251 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -3.133 -11.375 -8.165 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -2.227 -11.021 -8.054 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -3.237 -11.454 -9.142 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -3.834 -13.963 1.747 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -2.971 -14.199 2.163 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -4.330 -14.783 1.758 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -1.709 -14.255 -2.609 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -1.060 -14.973 -2.630 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -1.761 -14.013 -1.673 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -1.272 -14.432 -11.737 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -1.685 -14.896 -12.500 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -1.993 -13.919 -11.356 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 0.565 -8.535 -1.344 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 0.263 -9.380 -1.722 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -0.195 -8.220 -0.822 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 5.512 -9.925 -14.739 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 6.009 -9.877 -13.909 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 4.704 -9.405 -14.561 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 1.226 -13.802 -10.846 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 1.309 -14.323 -10.020 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 0.357 -14.086 -11.222 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -10.615 -17.521 -0.129 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -10.090 -16.731 0.061 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -9.977 -18.245 -0.091 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -6.853 -17.396 -14.744 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -5.881 -17.488 -14.762 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -7.011 -16.644 -14.132 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -7.584 -15.227 -13.278 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -8.412 -14.846 -13.601 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -7.092 -14.466 -12.926 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -3.160 -11.372 -10.889 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -3.855 -11.276 -11.548 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -2.379 -10.944 -11.300 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -4.686 -13.471 -14.392 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -4.099 -12.716 -14.536 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -5.129 -13.275 -13.536 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 2.403 -19.646 0.852 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 2.049 -20.359 1.390 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 3.279 -19.966 0.575 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -9.982 -14.547 -15.300 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -10.650 -14.247 -15.945 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -9.777 -15.466 -15.576 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -7.516 -14.079 -9.885 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -8.081 -13.529 -10.467 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -7.919 -14.955 -9.925 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -2.495 -12.243 -16.219 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -3.176 -12.730 -16.727 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -1.654 -12.717 -16.431 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 2.466 -11.085 -13.325 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 2.023 -10.998 -12.453 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 2.839 -10.192 -13.493 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -2.884 -15.488 -13.737 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -3.525 -14.822 -14.049 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -3.218 -16.328 -14.108 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 4.813 -15.245 1.165 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 4.121 -14.649 1.524 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 5.028 -15.834 1.916 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 5.416 -18.174 -13.661 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 6.338 -17.857 -13.768 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 4.878 -17.359 -13.721 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -8.952 -12.637 -11.817 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -9.805 -12.234 -11.607 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -8.850 -12.493 -12.783 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 6.347 -20.720 1.968 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 5.756 -20.586 1.191 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 6.816 -21.540 1.768 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 6.431 -20.002 -11.803 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 5.910 -19.399 -12.376 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 7.352 -19.869 -12.094 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 9.157 -21.599 -14.590 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 8.380 -21.072 -14.898 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 9.471 -22.042 -15.387 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 6.288 -20.935 -7.166 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 5.989 -21.004 -8.098 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 5.693 -21.552 -6.678 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 5.627 -19.066 3.996 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 5.625 -19.690 4.727 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 5.863 -19.613 3.215 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 7.657 -20.657 -1.305 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 8.508 -20.542 -0.837 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 7.893 -21.177 -2.105 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 7.729 -23.365 -9.542 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 8.199 -23.206 -10.394 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 6.899 -22.847 -9.630 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 5.072 -22.964 -5.845 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 5.911 -23.359 -5.530 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 4.451 -23.696 -5.847 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 4.995 -20.529 -0.378 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 4.435 -20.204 -1.119 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 5.877 -20.656 -0.787 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -4.402 -13.507 -3.478 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -3.560 -13.891 -3.182 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -4.281 -13.375 -4.442 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -1.568 -14.821 2.923 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -1.389 -14.737 3.863 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -0.681 -14.915 2.517 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 1.054 -15.141 2.253 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 1.790 -14.494 2.186 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 1.181 -15.549 3.139 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -5.726 -10.896 -7.466 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -6.064 -11.811 -7.410 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -4.806 -10.999 -7.785 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 1.430 -12.261 -1.313 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 2.038 -11.873 -1.981 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 0.560 -11.888 -1.544 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -12.166 -13.702 -4.641 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -12.933 -14.202 -4.999 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -11.395 -14.211 -4.946 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -6.409 -13.617 -7.392 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -6.672 -13.749 -8.328 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -7.130 -14.040 -6.882 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -1.369 -12.511 -4.729 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -2.166 -12.575 -5.288 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -1.513 -13.181 -4.032 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -2.759 -10.197 -14.329 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -2.086 -10.231 -13.618 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -2.534 -10.948 -14.910 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 4.644 -12.404 -8.670 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 3.892 -11.776 -8.579 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 4.833 -12.410 -9.619 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 3.672 -11.749 0.211 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 3.515 -10.857 0.594 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 2.872 -11.919 -0.332 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -9.714 -0.713 -38.671 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -9.661 -0.721 -37.695 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -10.524 -1.223 -38.870 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -7.704 0.767 -36.135 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -6.994 0.567 -35.523 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -8.375 0.071 -35.963 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -10.850 -5.606 -40.630 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -10.179 -6.151 -41.083 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -11.013 -4.861 -41.253 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -9.268 -6.983 -42.592 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -10.102 -6.814 -43.087 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -8.574 -6.714 -43.201 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -13.029 -1.711 -41.728 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -12.885 -0.734 -41.699 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -13.901 -1.805 -42.127 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -12.890 0.103 -37.963 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -13.277 0.450 -37.138 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -12.693 0.910 -38.488 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -9.777 -0.982 -35.891 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -10.153 -1.877 -35.939 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -10.487 -0.452 -35.470 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -11.664 -6.318 -43.645 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -12.169 -6.291 -44.488 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -11.737 -5.400 -43.296 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -11.982 -2.704 -36.335 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -12.156 -2.518 -37.280 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -12.203 -1.858 -35.880 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -9.348 2.040 -37.896 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -8.664 1.655 -37.307 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -9.630 1.295 -38.451 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -12.818 -0.892 -32.207 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -13.575 -0.408 -31.801 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -12.789 -1.724 -31.727 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -12.288 -0.408 -34.860 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -12.845 0.365 -35.101 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -12.458 -0.535 -33.896 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -13.033 1.020 -41.526 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -13.824 1.587 -41.499 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -12.447 1.405 -40.850 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -8.285 -1.523 -40.873 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -7.394 -1.547 -40.517 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -8.830 -1.172 -40.134 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -9.288 -8.727 -40.475 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -9.088 -8.159 -41.247 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -9.984 -9.319 -40.790 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -13.563 -6.162 -40.816 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -13.718 -5.757 -41.701 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -12.595 -6.086 -40.687 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -11.118 -5.470 -37.918 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -11.229 -4.540 -37.670 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -11.008 -5.446 -38.898 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -12.131 -9.508 -40.209 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -11.682 -9.118 -39.430 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -13.005 -9.784 -39.866 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -12.650 4.018 -36.813 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -13.089 4.857 -36.559 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -11.693 4.185 -36.641 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -9.938 4.286 -36.509 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -9.837 3.460 -37.041 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -9.047 4.636 -36.451 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -1.966 -0.523 -26.241 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -1.922 -0.154 -27.125 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -2.636 0.035 -25.780 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -0.553 -2.253 -24.706 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -0.645 -3.098 -25.188 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -1.003 -1.593 -25.289 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -4.776 1.525 -22.663 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -5.592 1.870 -22.247 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -4.639 0.657 -22.234 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -9.548 -5.174 -25.743 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -10.379 -5.006 -25.239 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -9.505 -4.445 -26.376 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -11.809 -4.471 -24.419 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -12.425 -4.752 -23.700 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -11.396 -3.653 -24.066 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -2.168 -2.294 -22.534 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -1.522 -2.160 -23.261 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -1.610 -2.434 -21.742 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 6.614 -5.312 -18.196 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 7.285 -5.639 -18.802 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 7.112 -5.138 -17.356 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 0.715 -6.127 -23.509 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 1.472 -6.424 -22.958 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -0.015 -6.012 -22.870 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -7.155 -5.200 -24.375 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -7.892 -5.341 -25.006 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -7.591 -4.821 -23.586 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 10.385 -3.240 -16.075 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 10.313 -2.319 -16.341 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 11.330 -3.384 -15.968 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -5.035 -1.013 -19.043 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -5.369 -1.888 -18.801 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -4.860 -1.080 -20.012 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 2.954 -6.852 -22.043 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 3.157 -5.898 -21.914 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 3.458 -7.296 -21.340 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -5.695 1.696 -19.145 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -6.273 1.832 -19.931 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -5.619 0.723 -19.067 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -10.720 1.653 -26.731 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -11.271 1.862 -27.508 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -10.460 2.531 -26.382 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 2.537 -9.104 -23.892 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 2.773 -8.349 -23.320 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 1.703 -8.841 -24.302 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 2.636 -4.190 -18.998 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 2.683 -3.946 -19.945 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 1.841 -3.723 -18.669 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -5.793 -2.907 -23.104 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -6.717 -3.171 -22.918 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -5.588 -3.340 -23.947 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -4.454 -1.067 -21.701 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -5.064 -1.635 -22.230 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -3.557 -1.347 -21.997 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -5.974 3.512 -16.961 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -5.976 4.352 -17.473 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -5.981 2.816 -17.650 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -6.284 5.923 -18.218 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -6.656 6.420 -18.976 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -6.716 6.315 -17.443 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -10.707 -2.306 -23.078 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -11.581 -2.142 -22.658 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -10.520 -1.475 -23.576 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -3.000 2.173 -18.999 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -3.973 2.042 -19.072 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -2.782 2.741 -19.747 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -10.265 5.839 -23.733 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -9.780 6.285 -23.019 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -11.176 6.185 -23.651 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 8.090 -4.775 -15.980 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 8.928 -4.262 -15.983 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 7.866 -4.860 -15.032 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -7.403 -4.569 -28.153 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -6.578 -4.668 -27.627 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -7.403 -3.643 -28.410 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -3.454 -3.889 -24.562 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -3.275 -3.229 -23.860 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -2.561 -4.205 -24.823 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 2.384 -4.480 -25.034 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 2.548 -4.931 -25.867 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 1.824 -5.102 -24.530 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -14.094 -4.882 -25.995 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -13.779 -5.331 -26.805 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -13.280 -4.704 -25.490 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -4.686 -6.292 -23.982 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -4.273 -5.420 -24.152 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -5.645 -6.136 -24.147 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -10.430 -7.322 -27.189 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -10.004 -6.731 -26.533 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -9.873 -7.231 -27.985 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -4.884 -4.254 -26.982 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -4.162 -4.760 -27.366 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -4.525 -3.932 -26.134 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -9.002 -6.462 -29.409 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -8.505 -5.748 -28.944 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -8.320 -6.952 -29.883 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 2.817 -0.789 -18.229 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 3.251 0.048 -18.426 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 2.574 -1.146 -19.117 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -2.364 -0.529 -18.638 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -2.344 0.444 -18.749 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -3.319 -0.746 -18.634 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 1.891 -1.607 -20.689 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 0.929 -1.738 -20.558 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 2.006 -1.649 -21.661 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -8.962 2.261 -23.621 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -9.544 2.971 -23.314 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -8.658 2.565 -24.487 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -3.858 1.156 -25.203 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -4.079 1.265 -24.248 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -4.485 1.725 -25.652 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -0.732 -2.228 -20.047 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -0.280 -2.576 -19.250 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -1.350 -1.553 -19.691 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -7.152 2.221 -21.440 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -7.429 3.137 -21.199 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -7.768 1.971 -22.157 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -1.071 -5.011 -25.344 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -0.400 -5.413 -24.756 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -1.584 -5.778 -25.680 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -0.788 -9.144 -25.482 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -1.432 -8.409 -25.510 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -0.524 -9.261 -26.402 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 4.517 -3.984 -17.048 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 5.323 -4.331 -17.491 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 3.818 -4.053 -17.736 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 1.837 -2.382 -23.371 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 0.971 -2.123 -23.756 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 2.212 -3.000 -24.036 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -10.138 4.213 -25.868 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -10.080 4.764 -25.054 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -10.516 4.816 -26.532 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -9.677 5.696 -17.561 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -10.279 5.056 -17.108 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -8.851 5.654 -17.036 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -4.983 2.397 -14.657 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -5.181 2.848 -13.809 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -5.471 2.920 -15.333 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -2.904 1.679 -16.294 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -3.637 2.111 -15.809 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -2.971 2.039 -17.202 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 3.714 -1.713 -15.714 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 3.397 -1.208 -16.483 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 4.074 -2.536 -16.104 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -0.276 -0.237 -13.639 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 0.644 -0.141 -13.907 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -0.753 -0.417 -14.474 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 0.709 -2.602 -17.744 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 1.362 -1.878 -17.659 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 0.494 -2.836 -16.833 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 1.888 -6.004 -14.796 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 1.257 -5.534 -14.205 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 1.483 -5.934 -15.677 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -13.177 6.589 -32.996 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -12.558 6.187 -33.619 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -13.485 7.400 -33.456 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -13.798 6.980 -25.813 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -14.088 7.910 -25.774 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -13.332 6.843 -24.960 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 4.860 -2.664 -13.312 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 4.514 -2.049 -13.989 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 4.672 -3.551 -13.682 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 5.760 -3.022 -10.766 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 5.022 -2.809 -10.182 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 5.438 -2.772 -11.663 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 4.198 -6.431 -19.211 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 5.034 -6.068 -18.858 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 3.565 -5.684 -19.147 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 3.251 -4.128 -21.716 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 2.622 -3.592 -22.242 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 4.091 -3.667 -21.815 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 3.916 -9.040 -18.616 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 4.098 -9.356 -19.527 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 4.079 -8.070 -18.668 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -7.571 7.390 -20.186 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -7.182 8.285 -20.219 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -8.429 7.491 -20.643 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 4.594 -9.708 -21.186 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 4.368 -10.232 -21.965 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 5.316 -10.211 -20.758 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -12.751 7.072 -23.321 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -13.580 6.929 -22.825 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -12.481 7.989 -23.072 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -8.845 9.789 -22.934 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -8.259 10.100 -22.217 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -9.202 8.951 -22.597 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -9.990 7.580 -21.562 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -10.743 8.170 -21.768 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -10.390 6.853 -21.033 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -8.205 4.691 -20.971 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -9.127 4.804 -20.675 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -7.765 5.517 -20.701 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -3.601 -8.053 -22.034 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -2.915 -7.376 -22.130 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -4.270 -7.804 -22.699 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 2.795 -11.889 -24.004 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 2.818 -10.908 -24.002 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 2.050 -12.109 -24.617 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -6.212 -11.078 -23.385 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -6.293 -11.521 -22.515 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -6.780 -10.306 -23.309 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -11.529 -6.613 -30.645 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -11.290 -6.495 -31.598 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -10.670 -6.540 -30.176 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -2.765 -7.171 -25.845 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -3.114 -7.889 -26.428 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -3.500 -6.993 -25.222 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -1.958 -11.657 -25.226 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -1.644 -10.727 -25.182 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -2.938 -11.577 -25.275 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -13.474 5.138 -28.967 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -12.830 5.535 -28.338 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -14.313 5.077 -28.451 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -10.939 -6.269 -33.247 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -11.486 -5.608 -33.722 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -10.621 -6.858 -33.942 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 1.347 -11.354 -15.805 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 1.694 -11.442 -14.889 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 1.443 -10.395 -16.003 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 0.558 -2.131 -6.279 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 1.423 -2.525 -6.561 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 0.618 -1.192 -6.572 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -2.245 -1.343 -5.668 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -2.289 -1.949 -4.894 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -1.318 -1.411 -5.965 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 -9.156 -0.114 -5.164 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -8.590 0.271 -5.866 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 -10.065 -0.054 -5.531 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -6.898 2.811 -2.676 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -6.683 2.836 -3.628 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -7.399 1.975 -2.566 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -3.527 1.061 -5.105 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -3.114 0.175 -5.193 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -2.913 1.652 -5.556 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 5.841 -8.434 -1.742 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 4.946 -8.226 -1.409 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 6.164 -9.143 -1.137 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -1.691 1.355 -8.853 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -2.458 0.823 -8.564 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -1.947 1.674 -9.738 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -3.951 -1.532 -1.997 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -4.107 -0.558 -2.018 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -3.279 -1.681 -2.684 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -8.291 0.475 -2.675 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -8.597 0.240 -3.583 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -7.722 -0.283 -2.413 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -2.715 -2.552 -9.371 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -2.420 -2.099 -10.190 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -1.907 -3.003 -9.043 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -1.994 -2.785 -13.920 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -2.064 -2.205 -13.148 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -2.081 -2.181 -14.681 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 4.851 -4.963 -3.396 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 3.890 -4.925 -3.306 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 5.171 -5.033 -2.490 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 2.579 -3.628 -7.237 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 2.146 -4.453 -7.524 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 3.537 -3.806 -7.362 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 2.042 -5.343 -1.960 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 1.758 -4.732 -2.660 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 1.211 -5.543 -1.474 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -4.505 1.117 -2.454 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -4.210 1.225 -3.377 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -5.228 1.762 -2.356 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -6.734 -1.762 -2.217 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -6.970 -2.546 -2.757 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -5.761 -1.829 -2.106 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 0.053 -3.182 -11.031 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 0.015 -3.359 -10.071 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -0.411 -2.332 -11.137 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -3.607 -0.454 -7.946 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -3.247 -0.702 -7.072 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -3.352 -1.206 -8.529 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 3.293 -8.480 -13.745 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 3.258 -7.979 -12.905 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 2.806 -7.920 -14.375 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -8.492 -2.444 -0.262 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -9.260 -2.385 -0.856 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -7.754 -2.081 -0.793 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -7.788 5.864 -5.057 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -7.458 6.581 -4.512 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -8.419 5.388 -4.469 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -8.683 3.156 -8.584 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -7.999 3.546 -7.994 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -9.151 3.940 -8.953 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -4.540 4.790 2.188 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -4.942 4.245 1.508 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -3.604 4.594 2.131 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -1.773 -10.435 0.018 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -1.392 -10.655 -0.848 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -1.827 -9.460 0.017 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -1.664 -0.931 -11.422 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -1.092 -0.619 -12.164 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -2.216 -0.150 -11.207 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -8.167 -3.702 -3.596 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -8.543 -4.602 -3.519 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -8.873 -3.121 -3.251 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -0.441 -3.700 -8.327 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -0.140 -3.104 -7.609 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 0.018 -4.547 -8.139 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -1.906 -7.631 0.097 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -1.799 -7.674 1.081 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -2.855 -7.413 -0.026 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -9.825 -5.903 -3.477 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -10.338 -5.600 -4.262 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -9.745 -6.871 -3.609 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -1.908 -2.924 -3.448 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.036 -3.320 -3.645 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -2.218 -3.412 -2.659 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 0.413 0.376 -7.363 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 1.116 1.003 -7.553 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -0.344 0.693 -7.908 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -0.092 -4.775 -13.254 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -0.847 -4.290 -13.650 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 0.097 -4.276 -12.426 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 1.135 -5.981 -7.735 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 1.749 -6.391 -7.081 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 0.868 -6.732 -8.307 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -5.330 -0.995 -11.561 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -4.847 -0.687 -12.359 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -5.173 -1.947 -11.539 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -10.328 -2.251 -2.457 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -11.170 -2.514 -2.026 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -10.548 -1.440 -2.935 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -0.582 -5.548 -1.137 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -1.217 -4.806 -1.059 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -1.014 -6.279 -0.656 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 7.091 -4.879 -13.342 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 6.234 -5.151 -13.736 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 6.924 -3.984 -13.011 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 0.423 -4.259 -4.326 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -0.256 -4.835 -4.734 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 0.599 -3.580 -5.004 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -7.695 0.954 -7.221 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.103 0.565 -7.906 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -8.189 1.652 -7.703 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -6.085 4.759 -9.744 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -6.546 5.617 -9.810 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -6.159 4.522 -8.799 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -10.618 -9.094 -1.418 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -9.693 -9.188 -1.095 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -10.515 -8.864 -2.366 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -3.929 0.079 -13.670 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -4.383 0.851 -14.079 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -3.364 -0.263 -14.378 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -6.075 -0.157 -9.094 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -5.197 -0.094 -8.661 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -5.862 -0.377 -10.033 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 0.695 -8.309 -9.138 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 0.489 -8.196 -10.086 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 0.125 -9.056 -8.856 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -3.146 1.468 -11.344 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -3.837 2.153 -11.279 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -3.334 1.027 -12.195 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -5.453 3.106 -11.925 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -6.294 2.629 -11.771 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -5.452 3.806 -11.237 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 2.911 -9.387 1.396 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 2.075 -9.053 1.745 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 3.159 -8.736 0.706 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 5.870 -6.088 -5.675 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 5.586 -5.505 -4.935 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 6.142 -6.923 -5.223 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -6.400 -8.700 -6.072 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -5.972 -8.052 -6.661 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -6.272 -9.563 -6.535 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -8.007 2.346 -11.179 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -8.124 2.604 -10.240 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -8.752 2.759 -11.631 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -1.861 -0.733 -15.875 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -2.170 0.204 -15.962 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -1.832 -1.053 -16.797 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -4.935 -4.651 0.433 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -5.887 -4.468 0.550 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -4.904 -5.577 0.114 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -6.718 -7.369 1.853 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -7.651 -7.285 1.560 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -6.540 -6.529 2.316 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -2.725 -3.782 -0.912 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -3.412 -4.213 -0.359 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -3.076 -2.878 -1.055 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -7.614 -4.414 1.388 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -8.350 -5.060 1.358 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -7.961 -3.633 0.891 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -4.705 -7.344 -0.013 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -4.733 -8.235 -0.429 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -5.411 -7.379 0.667 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -2.088 -7.984 2.731 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -1.932 -8.907 3.015 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -2.902 -7.726 3.199 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -0.955 -8.780 6.317 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -1.010 -7.998 6.870 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -1.889 -9.005 6.124 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -7.995 -9.570 -0.913 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -7.606 -9.347 -1.788 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -7.252 -9.506 -0.301 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -2.337 -10.576 3.603 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -2.998 -10.890 2.952 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -2.863 -10.361 4.397 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -4.668 -7.572 3.872 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -5.286 -7.967 3.230 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -4.902 -6.617 3.866 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -11.934 3.806 -10.963 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -11.996 4.769 -10.782 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -11.512 3.444 -10.176 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -11.640 0.045 -6.321 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -12.034 -0.640 -6.916 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -12.290 0.750 -6.313 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 7.204 -4.961 -9.567 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 7.914 -4.461 -9.150 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 6.708 -4.286 -10.092 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 4.541 -5.084 -14.546 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 4.616 -4.766 -15.473 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 3.656 -5.504 -14.511 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 5.116 -4.533 -7.774 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 5.782 -4.774 -8.443 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 5.373 -5.057 -6.986 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -12.441 -0.899 -10.524 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -12.385 -1.183 -9.582 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -13.344 -1.102 -10.773 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 1.993 -8.814 -16.656 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 2.764 -8.930 -17.252 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 1.707 -7.904 -16.815 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 2.867 -7.229 -11.316 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 2.946 -6.411 -10.809 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 3.435 -7.871 -10.829 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 3.177 -7.740 -0.872 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 2.318 -8.154 -1.104 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 3.053 -6.798 -1.101 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -9.333 -6.561 1.180 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.678 -6.160 0.351 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -10.098 -7.028 1.549 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 3.123 -13.407 2.250 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 3.324 -12.855 1.462 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 2.989 -12.750 2.969 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 2.832 -10.295 -8.570 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 3.444 -9.769 -9.137 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 2.155 -9.653 -8.293 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -9.757 -8.601 -4.029 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -9.961 -9.086 -4.839 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -8.811 -8.814 -3.854 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 2.731 -11.239 3.848 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 1.823 -10.920 4.095 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 3.054 -10.564 3.228 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -8.488 -12.268 -1.776 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -9.391 -12.639 -1.854 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -8.618 -11.414 -1.331 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -6.749 4.267 -7.018 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -7.133 4.956 -6.427 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -6.366 3.614 -6.398 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -6.092 2.177 -5.315 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -6.659 1.659 -5.926 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -5.230 1.714 -5.338 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 0.259 -7.720 -11.905 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 1.233 -7.611 -11.822 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -0.031 -6.907 -12.351 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -10.815 4.072 -13.454 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -11.226 3.750 -12.627 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -11.082 5.023 -13.499 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -7.173 -9.224 -3.549 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -6.717 -10.081 -3.398 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -6.859 -8.941 -4.443 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -4.735 -9.877 -0.856 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -4.562 -10.424 -0.058 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -5.197 -10.492 -1.473 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -11.058 3.858 -16.176 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -11.688 3.145 -16.320 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -10.940 3.881 -15.200 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 1.648 -15.608 4.885 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 1.361 -16.030 5.699 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 1.997 -14.733 5.177 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -3.611 -9.266 5.703 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -3.984 -8.601 5.076 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -4.329 -9.437 6.320 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -5.595 -5.092 3.127 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -6.405 -4.629 2.828 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -4.907 -4.776 2.515 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 0.288 -10.337 4.446 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 0.014 -9.726 5.166 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -0.558 -10.604 4.032 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -9.322 15.674 -20.527 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -9.174 15.326 -19.618 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -9.396 16.648 -20.400 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -13.158 11.461 -28.447 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -13.111 12.438 -28.606 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -13.876 11.166 -29.024 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -8.444 15.613 -23.129 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -7.520 15.371 -23.020 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -8.788 15.670 -22.213 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -11.519 13.495 -23.296 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -10.973 12.764 -23.667 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -11.243 14.283 -23.811 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -7.595 10.268 -20.498 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -7.369 11.221 -20.524 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -8.339 10.220 -19.856 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -7.737 13.042 -20.334 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -8.343 13.553 -20.885 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -7.789 13.469 -19.467 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -12.099 19.093 -19.454 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -11.280 18.726 -19.836 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -12.291 18.508 -18.690 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -14.606 19.780 -20.348 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -14.797 19.441 -21.254 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -13.684 19.480 -20.170 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -8.938 14.585 -18.055 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -8.966 15.102 -17.221 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -9.509 13.827 -17.881 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -10.627 10.665 -29.300 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -10.375 9.912 -28.736 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -11.531 10.891 -29.007 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -10.301 13.592 -26.411 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -10.579 13.177 -27.234 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -10.108 12.840 -25.814 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -10.161 8.805 -27.168 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -9.400 8.886 -26.580 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -10.858 9.348 -26.736 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -12.502 17.501 -17.227 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -12.957 17.370 -16.375 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -12.850 16.773 -17.797 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -9.699 10.148 -18.784 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -10.529 9.781 -19.132 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -9.474 9.558 -18.028 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -12.049 9.394 -22.239 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -12.051 9.400 -21.259 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -12.504 10.236 -22.480 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -9.423 18.345 -19.932 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -9.468 18.269 -18.947 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -8.829 19.089 -20.084 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -9.315 15.889 -15.588 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -8.754 15.683 -14.833 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -10.135 16.267 -15.183 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -9.146 8.308 -16.881 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -9.495 7.475 -17.256 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -8.500 8.016 -16.226 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -13.174 16.717 -24.200 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -13.486 16.042 -23.587 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -12.239 16.461 -24.381 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -13.346 11.766 -22.272 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -12.773 12.473 -22.636 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -14.097 12.245 -21.874 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -11.967 14.918 -21.003 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -11.055 15.223 -20.834 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -11.878 14.327 -21.778 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -12.144 10.334 -26.150 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -12.906 10.084 -25.583 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -12.556 10.822 -26.902 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -10.181 11.498 -24.603 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -9.688 10.875 -24.015 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -10.861 10.938 -25.032 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -11.568 6.389 -27.313 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -10.987 7.178 -27.386 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -12.306 6.689 -26.744 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -10.744 5.401 -20.026 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -10.301 5.534 -19.153 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -11.636 5.080 -19.791 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -7.613 6.006 -15.764 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -7.997 6.177 -14.874 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -7.096 5.193 -15.648 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -14.353 13.479 -12.999 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -14.932 13.245 -12.242 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -14.551 14.406 -13.171 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -13.146 9.854 -11.797 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -12.803 10.578 -12.362 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -13.209 9.083 -12.410 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -9.637 5.442 -9.701 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -8.908 6.095 -9.689 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -10.422 5.963 -9.984 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -9.783 18.019 -17.290 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -9.410 17.374 -16.660 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -10.753 17.926 -17.178 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -7.463 7.175 -9.808 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -7.622 7.736 -10.601 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -7.218 7.803 -9.120 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -12.290 11.786 -13.554 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -11.615 12.401 -13.845 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -13.082 12.353 -13.398 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -11.919 6.565 -10.691 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -11.871 6.777 -11.652 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -12.686 7.088 -10.369 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -8.820 6.409 -13.330 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -9.791 6.588 -13.452 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -8.796 5.626 -12.763 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -8.198 8.714 -11.945 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -8.296 7.982 -12.589 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -8.986 9.251 -12.076 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 8.037 -17.608 -13.926 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 8.494 -18.236 -13.337 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 8.384 -16.729 -13.656 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 9.162 -19.743 -12.514 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 9.412 -20.330 -13.261 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 9.998 -19.272 -12.285 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 11.203 -19.004 -2.257 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 10.930 -19.635 -1.561 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 10.653 -18.207 -2.083 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 7.638 -23.849 -5.415 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 8.102 -23.193 -5.969 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 7.613 -24.653 -5.977 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 13.926 -23.644 -4.810 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 14.475 -24.260 -4.314 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 14.347 -23.615 -5.706 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 13.796 -18.328 0.561 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 13.870 -18.061 -0.377 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 13.543 -17.504 1.021 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 11.394 -22.899 -4.085 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 11.443 -22.806 -3.105 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 12.263 -23.286 -4.328 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 13.539 -17.581 -2.069 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 14.075 -17.905 -2.826 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 12.713 -18.106 -2.122 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 13.505 -20.881 -4.737 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 12.661 -20.973 -4.274 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 13.810 -21.801 -4.859 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 14.660 -18.424 -4.410 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 14.174 -17.946 -5.105 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 14.410 -19.367 -4.548 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 11.592 -22.372 -1.442 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 12.310 -22.045 -0.871 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 10.794 -21.958 -1.073 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 12.634 -15.903 1.394 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 11.993 -15.562 0.726 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 12.090 -16.090 2.166 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 8.814 -19.328 1.967 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 8.890 -18.514 2.517 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 7.886 -19.597 2.069 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 11.608 -13.473 -2.587 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 12.449 -13.923 -2.338 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 11.713 -12.555 -2.240 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 11.210 -23.167 -6.982 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 10.279 -22.886 -7.043 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 11.345 -23.337 -6.035 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 10.866 -12.559 -7.620 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 11.027 -12.691 -6.667 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 10.806 -11.580 -7.717 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 9.678 -16.833 -1.771 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 8.880 -17.091 -1.255 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 10.126 -16.166 -1.203 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 15.295 -23.387 -7.126 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 15.904 -23.743 -7.778 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 14.979 -22.544 -7.529 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 12.858 -20.875 0.675 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 13.337 -21.263 1.415 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 13.237 -19.963 0.595 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 7.630 -25.395 -7.682 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 7.646 -24.712 -8.386 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 7.723 -26.224 -8.157 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 11.430 -22.373 -9.690 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 11.540 -22.752 -8.791 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 10.868 -23.008 -10.148 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 8.705 -22.093 -7.327 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 8.532 -22.591 -8.158 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 7.904 -21.530 -7.219 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 14.591 -21.018 -8.256 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 13.939 -20.755 -8.933 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 14.811 -20.195 -7.810 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 11.282 -18.149 -11.876 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 11.303 -17.649 -11.033 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 11.495 -17.475 -12.555 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 8.858 -17.126 3.588 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 8.417 -16.279 3.368 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 8.838 -17.161 4.548 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 11.447 -16.600 -9.577 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 11.785 -17.216 -8.890 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 11.914 -15.753 -9.388 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 7.290 -17.892 -1.333 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 6.375 -17.559 -1.182 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 7.208 -18.863 -1.248 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 13.134 -16.500 -5.837 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 12.891 -16.937 -6.683 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 12.770 -15.589 -5.920 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 5.611 -21.615 -9.795 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 5.953 -21.014 -10.505 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 4.694 -21.772 -10.044 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 12.352 -18.355 -7.718 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 11.755 -18.912 -7.161 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 12.571 -18.936 -8.482 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 13.907 -13.555 0.420 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 13.608 -14.317 0.949 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 14.008 -13.920 -0.482 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 12.588 -14.222 -8.947 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 11.985 -13.607 -8.471 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 13.474 -14.050 -8.544 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 11.740 -15.857 -13.373 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 12.169 -15.641 -14.208 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 12.088 -15.180 -12.740 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 12.551 -13.944 -11.678 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 12.560 -14.114 -10.711 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 12.780 -13.014 -11.754 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 9.072 -15.399 -10.087 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 8.414 -16.017 -9.711 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 9.936 -15.831 -9.903 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 12.624 -19.939 -9.942 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 12.325 -19.532 -10.774 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 12.162 -20.813 -9.922 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 8.483 -14.175 0.812 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 8.172 -14.494 1.681 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 7.723 -13.674 0.457 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 7.298 -14.876 3.263 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 6.507 -15.450 3.392 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 7.018 -14.014 3.588 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 9.095 -15.337 -12.828 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 10.050 -15.449 -13.013 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 9.049 -15.250 -11.850 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 10.237 -20.380 -0.043 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 9.740 -19.943 0.694 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 11.127 -20.552 0.343 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 10.792 -20.290 -6.682 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 11.456 -20.974 -6.508 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 9.982 -20.792 -6.880 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 7.141 -14.321 -14.432 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 6.387 -14.784 -14.019 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 7.902 -14.541 -13.855 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 8.630 -22.100 -3.522 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 8.185 -22.874 -3.926 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 9.582 -22.271 -3.668 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 10.816 -14.849 -0.317 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 10.003 -14.507 0.133 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 10.971 -14.214 -1.044 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 10.846 -17.699 -4.693 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 11.696 -17.331 -4.991 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 11.094 -18.356 -4.016 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 15.237 -15.654 -4.253 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 14.468 -15.828 -4.836 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 15.586 -16.542 -4.057 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 8.571 -12.920 -9.051 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 9.401 -12.854 -8.534 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 8.647 -13.781 -9.512 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 6.765 -9.179 -11.772 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 7.242 -9.724 -11.111 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 7.289 -8.354 -11.823 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 10.665 -8.968 4.211 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 10.919 -8.965 5.139 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 9.809 -8.526 4.197 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 8.137 -6.747 -11.484 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 7.776 -6.220 -10.739 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 7.954 -6.195 -12.274 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 12.501 -7.693 -9.012 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 13.075 -7.904 -9.753 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 11.597 -7.857 -9.354 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 10.681 -9.823 -7.456 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 11.366 -9.269 -7.017 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 10.361 -9.266 -8.188 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 12.313 -9.322 -3.645 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 12.671 -9.048 -4.514 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 11.939 -8.494 -3.270 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 12.569 -8.232 -6.278 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 12.470 -7.366 -5.821 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 12.781 -7.988 -7.204 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 16.010 -13.326 -5.432 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 15.764 -14.151 -4.956 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 16.554 -12.844 -4.803 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 12.275 -13.910 -5.229 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 11.903 -13.878 -4.323 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 12.622 -13.017 -5.369 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 12.134 -5.899 -4.934 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 11.803 -6.276 -4.088 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 11.673 -5.062 -5.015 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 11.163 -7.046 -2.646 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 11.550 -6.958 -1.742 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 10.228 -7.317 -2.476 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 5.402 -7.999 -7.689 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 5.807 -8.867 -7.473 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 5.845 -7.371 -7.087 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 9.922 -8.418 -9.901 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 9.483 -7.780 -10.497 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 9.281 -9.159 -9.834 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 7.952 -10.329 -9.590 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 8.213 -11.279 -9.564 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 7.369 -10.226 -8.807 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 8.763 -8.017 -1.817 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 9.012 -8.709 -1.173 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 7.794 -8.004 -1.789 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 11.944 -11.001 -1.472 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 12.587 -10.806 -0.767 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 12.178 -10.373 -2.194 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 13.867 -14.845 -2.006 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 14.483 -14.905 -2.764 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 13.654 -15.782 -1.801 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 12.085 -7.116 -0.111 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 11.829 -7.867 0.468 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 12.607 -6.548 0.458 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 13.617 -10.919 0.971 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 14.526 -10.741 1.227 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 13.599 -11.897 0.818 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 6.956 -10.380 -0.215 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 7.929 -10.307 -0.099 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 6.763 -11.316 -0.023 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 6.220 -8.433 -4.462 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 6.109 -8.368 -3.486 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 6.587 -9.321 -4.600 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 4.584 -8.900 -10.112 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 5.322 -9.032 -10.751 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 5.011 -8.471 -9.334 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 10.980 -11.291 -5.117 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 10.715 -10.710 -5.854 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 11.332 -10.674 -4.445 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 6.277 -10.555 -7.433 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 5.788 -11.327 -7.792 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 6.510 -10.822 -6.518 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 15.090 -13.815 -7.940 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 15.883 -14.235 -8.283 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 15.351 -13.508 -7.042 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 9.670 -10.033 -0.121 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 10.312 -10.498 -0.695 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 10.222 -9.669 0.603 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 11.581 -9.182 1.625 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 12.297 -9.849 1.534 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 11.354 -9.198 2.581 1.00 0.00 WAT1 END