REMARK FILENAME="/farm/data/gliu/projects/OR16/cns/calc12a/refinedPDB_w/resa_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1470.28, 78.5494, 119.956, 48.3885, 552.126, -514.201, -1758.69, 3.17339, 0.412936 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.477666E-03,0.480516,1.21329,41.7743,3.788498E-03,0.208443 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 50, 13 REMARK =============================================================== REMARK DATE:14-Oct-2009 20:57:38 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.231 -0.468 -3.664 1.00 64.42 ATOM 2 CB MET 1 2.304 1.612 -4.214 1.00 44.42 ATOM 3 HB1 MET 1 2.837 2.490 -3.872 1.00 38.81 ATOM 4 HB2 MET 1 1.247 1.836 -4.245 1.00 70.52 ATOM 5 CG MET 1 2.761 1.296 -5.629 1.00 61.31 ATOM 6 HG1 MET 1 3.814 1.047 -5.610 1.00 38.81 ATOM 7 HG2 MET 1 2.607 2.167 -6.251 1.00 72.25 ATOM 8 SD MET 1 1.853 -0.094 -6.333 1.00 64.41 ATOM 9 CE MET 1 2.534 -0.153 -7.986 1.00 63.23 ATOM 10 HE1 MET 1 3.597 -0.336 -7.931 1.00 13.13 ATOM 11 HE2 MET 1 2.357 0.790 -8.484 1.00 30.52 ATOM 12 HE3 MET 1 2.061 -0.947 -8.543 1.00 24.24 ATOM 13 C MET 1 4.031 0.380 -2.849 1.00 63.11 ATOM 14 O MET 1 4.567 1.289 -2.217 1.00 42.44 ATOM 15 N MET 1 1.716 0.690 -1.996 1.00 34.23 ATOM 16 HT1 MET 1 1.792 -0.128 -1.356 1.00 38.81 ATOM 17 HT2 MET 1 0.717 0.818 -2.255 1.00 38.81 ATOM 18 HT3 MET 1 2.039 1.540 -1.492 1.00 38.81 ATOM 19 CA MET 1 2.539 0.467 -3.216 1.00 72.14 ATOM 20 N LEU 2 4.702 -0.706 -3.241 1.00 62.40 ATOM 21 HN LEU 2 4.240 -1.392 -3.773 1.00 38.81 ATOM 22 CA LEU 2 6.126 -0.891 -2.911 1.00 63.00 ATOM 23 HA LEU 2 6.280 -0.518 -1.907 1.00 13.02 ATOM 24 CB LEU 2 6.527 -2.381 -2.951 1.00 72.21 ATOM 25 HB1 LEU 2 7.592 -2.443 -2.772 1.00 38.81 ATOM 26 HB2 LEU 2 6.331 -2.752 -3.948 1.00 14.23 ATOM 27 CG LEU 2 5.816 -3.312 -1.943 1.00 12.04 ATOM 28 HG LEU 2 5.713 -2.794 -1.002 1.00 70.00 ATOM 29 CD1 LEU 2 4.414 -3.678 -2.416 1.00 33.41 ATOM 30 HD11 LEU 2 3.827 -2.780 -2.534 1.00 74.10 ATOM 31 HD12 LEU 2 3.942 -4.322 -1.687 1.00 13.20 ATOM 32 HD13 LEU 2 4.474 -4.195 -3.365 1.00 25.42 ATOM 33 CD2 LEU 2 6.644 -4.574 -1.691 1.00 4.12 ATOM 34 HD21 LEU 2 7.619 -4.297 -1.314 1.00 14.20 ATOM 35 HD22 LEU 2 6.758 -5.125 -2.614 1.00 75.54 ATOM 36 HD23 LEU 2 6.142 -5.194 -0.962 1.00 41.02 ATOM 37 C LEU 2 7.030 -0.096 -3.871 1.00 60.24 ATOM 38 O LEU 2 6.992 -0.299 -5.085 1.00 0.41 ATOM 39 N LEU 3 7.844 0.805 -3.321 1.00 23.04 ATOM 40 HN LEU 3 7.821 0.935 -2.350 1.00 38.81 ATOM 41 CA LEU 3 8.770 1.617 -4.127 1.00 3.42 ATOM 42 HA LEU 3 8.637 1.342 -5.166 1.00 31.35 ATOM 43 CB LEU 3 8.440 3.110 -3.964 1.00 32.44 ATOM 44 HB1 LEU 3 9.150 3.681 -4.545 1.00 38.81 ATOM 45 HB2 LEU 3 8.566 3.370 -2.921 1.00 15.02 ATOM 46 CG LEU 3 7.020 3.527 -4.397 1.00 22.43 ATOM 47 HG LEU 3 6.297 2.960 -3.825 1.00 14.53 ATOM 48 CD1 LEU 3 6.781 5.007 -4.114 1.00 71.24 ATOM 49 HD11 LEU 3 7.494 5.603 -4.668 1.00 70.03 ATOM 50 HD12 LEU 3 6.900 5.195 -3.057 1.00 43.11 ATOM 51 HD13 LEU 3 5.777 5.274 -4.414 1.00 44.45 ATOM 52 CD2 LEU 3 6.792 3.219 -5.875 1.00 65.34 ATOM 53 HD21 LEU 3 5.802 3.542 -6.163 1.00 72.45 ATOM 54 HD22 LEU 3 6.882 2.155 -6.042 1.00 73.44 ATOM 55 HD23 LEU 3 7.529 3.739 -6.471 1.00 53.32 ATOM 56 C LEU 3 10.234 1.343 -3.731 1.00 53.24 ATOM 57 O LEU 3 10.653 1.637 -2.610 1.00 12.20 ATOM 58 N TYR 4 11.004 0.772 -4.659 1.00 31.43 ATOM 59 HN TYR 4 10.626 0.609 -5.550 1.00 38.81 ATOM 60 CA TYR 4 12.399 0.386 -4.400 1.00 41.40 ATOM 61 HA TYR 4 12.641 0.679 -3.388 1.00 23.35 ATOM 62 CB TYR 4 12.557 -1.138 -4.521 1.00 0.13 ATOM 63 HB1 TYR 4 13.600 -1.375 -4.673 1.00 38.81 ATOM 64 HB2 TYR 4 11.989 -1.486 -5.373 1.00 44.14 ATOM 65 CG TYR 4 12.076 -1.903 -3.302 1.00 64.44 ATOM 66 CD1 TYR 4 10.735 -1.894 -2.923 1.00 52.43 ATOM 67 HD1 TYR 4 10.024 -1.329 -3.511 1.00 32.11 ATOM 68 CD2 TYR 4 12.967 -2.638 -2.530 1.00 13.43 ATOM 69 HD2 TYR 4 14.011 -2.660 -2.809 1.00 63.11 ATOM 70 CE1 TYR 4 10.304 -2.587 -1.807 1.00 1.35 ATOM 71 HE1 TYR 4 9.259 -2.568 -1.529 1.00 4.12 ATOM 72 CE2 TYR 4 12.541 -3.334 -1.419 1.00 31.03 ATOM 73 HE2 TYR 4 13.250 -3.901 -0.835 1.00 10.13 ATOM 74 CZ TYR 4 11.212 -3.308 -1.061 1.00 52.12 ATOM 75 OH TYR 4 10.796 -4.000 0.054 1.00 50.13 ATOM 76 HH TYR 4 11.494 -3.963 0.724 1.00 63.41 ATOM 77 C TYR 4 13.379 1.089 -5.352 1.00 60.23 ATOM 78 O TYR 4 13.001 1.555 -6.428 1.00 5.24 ATOM 79 N VAL 5 14.647 1.153 -4.945 1.00 35.45 ATOM 80 HN VAL 5 14.886 0.758 -4.079 1.00 38.81 ATOM 81 CA VAL 5 15.698 1.801 -5.742 1.00 51.44 ATOM 82 HA VAL 5 15.302 1.991 -6.732 1.00 35.12 ATOM 83 CB VAL 5 16.110 3.161 -5.113 1.00 23.01 ATOM 84 HB VAL 5 16.480 2.972 -4.114 1.00 32.21 ATOM 85 CG1 VAL 5 17.233 3.823 -5.913 1.00 12.41 ATOM 86 HG11 VAL 5 18.098 3.175 -5.927 1.00 75.32 ATOM 87 HG12 VAL 5 17.499 4.764 -5.453 1.00 53.25 ATOM 88 HG13 VAL 5 16.900 4.002 -6.927 1.00 11.55 ATOM 89 CG2 VAL 5 14.905 4.097 -5.002 1.00 24.11 ATOM 90 HG21 VAL 5 14.489 4.269 -5.984 1.00 52.01 ATOM 91 HG22 VAL 5 15.216 5.038 -4.575 1.00 31.44 ATOM 92 HG23 VAL 5 14.155 3.646 -4.367 1.00 33.31 ATOM 93 C VAL 5 16.947 0.907 -5.868 1.00 72.31 ATOM 94 O VAL 5 17.468 0.412 -4.870 1.00 61.11 ATOM 95 N LEU 6 17.416 0.701 -7.098 1.00 54.50 ATOM 96 HN LEU 6 16.909 1.054 -7.859 1.00 38.81 ATOM 97 CA LEU 6 18.664 -0.036 -7.359 1.00 31.35 ATOM 98 HA LEU 6 18.970 -0.518 -6.440 1.00 11.54 ATOM 99 CB LEU 6 18.446 -1.109 -8.439 1.00 55.13 ATOM 100 HB1 LEU 6 19.415 -1.459 -8.769 1.00 38.81 ATOM 101 HB2 LEU 6 17.949 -0.643 -9.280 1.00 64.40 ATOM 102 CG LEU 6 17.618 -2.330 -8.009 1.00 52.14 ATOM 103 HG LEU 6 16.646 -1.999 -7.671 1.00 62.41 ATOM 104 CD1 LEU 6 17.408 -3.282 -9.189 1.00 72.22 ATOM 105 HD11 LEU 6 18.363 -3.662 -9.524 1.00 1.33 ATOM 106 HD12 LEU 6 16.930 -2.751 -10.002 1.00 22.53 ATOM 107 HD13 LEU 6 16.780 -4.105 -8.884 1.00 61.42 ATOM 108 CD2 LEU 6 18.301 -3.053 -6.850 1.00 20.02 ATOM 109 HD21 LEU 6 18.398 -2.380 -6.010 1.00 23.13 ATOM 110 HD22 LEU 6 19.283 -3.383 -7.159 1.00 61.14 ATOM 111 HD23 LEU 6 17.711 -3.910 -6.557 1.00 45.35 ATOM 112 C LEU 6 19.775 0.923 -7.809 1.00 30.20 ATOM 113 O LEU 6 19.715 1.487 -8.901 1.00 11.43 ATOM 114 N ILE 7 20.789 1.108 -6.971 1.00 50.41 ATOM 115 HN ILE 7 20.806 0.613 -6.123 1.00 38.81 ATOM 116 CA ILE 7 21.883 2.034 -7.283 1.00 62.30 ATOM 117 HA ILE 7 21.567 2.648 -8.117 1.00 14.40 ATOM 118 CB ILE 7 22.171 2.976 -6.084 1.00 53.35 ATOM 119 HB ILE 7 21.275 3.552 -5.895 1.00 14.33 ATOM 120 CG1 ILE 7 23.319 3.944 -6.415 1.00 53.13 ATOM 121 HG11 ILE 7 23.047 4.533 -7.280 1.00 38.81 ATOM 122 HG12 ILE 7 24.209 3.375 -6.642 1.00 5.13 ATOM 123 CG2 ILE 7 22.484 2.173 -4.820 1.00 42.33 ATOM 124 HG21 ILE 7 21.651 1.525 -4.587 1.00 14.22 ATOM 125 HG22 ILE 7 22.653 2.850 -3.994 1.00 61.24 ATOM 126 HG23 ILE 7 23.370 1.575 -4.981 1.00 11.54 ATOM 127 CD1 ILE 7 23.656 4.900 -5.289 1.00 54.21 ATOM 128 HD11 ILE 7 24.480 5.530 -5.587 1.00 54.14 ATOM 129 HD12 ILE 7 23.934 4.338 -4.409 1.00 24.44 ATOM 130 HD13 ILE 7 22.797 5.515 -5.068 1.00 54.53 ATOM 131 C ILE 7 23.169 1.290 -7.687 1.00 32.22 ATOM 132 O ILE 7 23.631 0.388 -6.984 1.00 52.44 ATOM 133 N ILE 8 23.733 1.669 -8.835 1.00 35.12 ATOM 134 HN ILE 8 23.279 2.347 -9.382 1.00 38.81 ATOM 135 CA ILE 8 24.999 1.101 -9.319 1.00 31.44 ATOM 136 HA ILE 8 25.345 0.370 -8.598 1.00 34.25 ATOM 137 CB ILE 8 24.805 0.391 -10.686 1.00 50.15 ATOM 138 HB ILE 8 24.516 1.137 -11.414 1.00 31.13 ATOM 139 CG1 ILE 8 23.691 -0.665 -10.585 1.00 15.41 ATOM 140 HG11 ILE 8 22.793 -0.198 -10.202 1.00 38.81 ATOM 141 HG12 ILE 8 24.002 -1.442 -9.904 1.00 1.52 ATOM 142 CG2 ILE 8 26.118 -0.246 -11.155 1.00 32.51 ATOM 143 HG21 ILE 8 25.964 -0.738 -12.105 1.00 2.54 ATOM 144 HG22 ILE 8 26.451 -0.972 -10.426 1.00 71.42 ATOM 145 HG23 ILE 8 26.874 0.520 -11.266 1.00 41.30 ATOM 146 CD1 ILE 8 23.344 -1.322 -11.904 1.00 61.42 ATOM 147 HD11 ILE 8 22.585 -2.072 -11.743 1.00 20.13 ATOM 148 HD12 ILE 8 24.225 -1.785 -12.323 1.00 33.20 ATOM 149 HD13 ILE 8 22.969 -0.576 -12.587 1.00 61.33 ATOM 150 C ILE 8 26.063 2.202 -9.472 1.00 4.40 ATOM 151 O ILE 8 26.020 2.991 -10.422 1.00 14.25 ATOM 152 N SER 9 27.023 2.252 -8.546 1.00 34.30 ATOM 153 HN SER 9 27.049 1.565 -7.837 1.00 38.81 ATOM 154 CA SER 9 28.049 3.311 -8.567 1.00 63.35 ATOM 155 HA SER 9 28.280 3.523 -9.602 1.00 23.03 ATOM 156 CB SER 9 27.514 4.595 -7.916 1.00 64.43 ATOM 157 HB1 SER 9 27.293 4.405 -6.875 1.00 38.81 ATOM 158 HB2 SER 9 26.611 4.906 -8.421 1.00 4.31 ATOM 159 OG SER 9 28.466 5.649 -7.998 1.00 72.54 ATOM 160 HG SER 9 28.009 6.480 -8.164 1.00 34.24 ATOM 161 C SER 9 29.344 2.888 -7.861 1.00 0.14 ATOM 162 O SER 9 29.409 1.843 -7.211 1.00 65.33 ATOM 163 N ASN 10 30.375 3.722 -7.997 1.00 3.32 ATOM 164 HN ASN 10 30.252 4.535 -8.532 1.00 38.81 ATOM 165 CA ASN 10 31.679 3.469 -7.370 1.00 51.13 ATOM 166 HA ASN 10 31.651 2.479 -6.937 1.00 31.53 ATOM 167 CB ASN 10 32.790 3.512 -8.431 1.00 64.40 ATOM 168 HB1 ASN 10 32.782 4.482 -8.910 1.00 38.81 ATOM 169 HB2 ASN 10 32.599 2.750 -9.173 1.00 14.42 ATOM 170 CG ASN 10 34.173 3.274 -7.842 1.00 34.04 ATOM 171 OD1 ASN 10 34.596 2.139 -7.655 1.00 30.42 ATOM 172 ND2 ASN 10 34.897 4.341 -7.565 1.00 35.13 ATOM 173 HD21 ASN 10 34.516 5.224 -7.757 1.00 65.11 ATOM 174 HD22 ASN 10 35.782 4.208 -7.170 1.00 55.34 ATOM 175 C ASN 10 31.966 4.483 -6.247 1.00 30.32 ATOM 176 O ASN 10 32.606 4.150 -5.247 1.00 40.13 ATOM 177 N ASP 11 31.488 5.716 -6.414 1.00 3.12 ATOM 178 HN ASP 11 30.981 5.925 -7.225 1.00 38.81 ATOM 179 CA ASP 11 31.691 6.769 -5.414 1.00 42.13 ATOM 180 HA ASP 11 32.700 6.677 -5.039 1.00 53.41 ATOM 181 CB ASP 11 31.526 8.158 -6.049 1.00 44.21 ATOM 182 HB1 ASP 11 31.501 8.904 -5.266 1.00 38.81 ATOM 183 HB2 ASP 11 30.594 8.188 -6.593 1.00 51.44 ATOM 184 CG ASP 11 32.648 8.508 -7.006 1.00 72.34 ATOM 185 OD1 ASP 11 33.621 9.165 -6.576 1.00 45.22 ATOM 186 OD2 ASP 11 32.561 8.133 -8.193 1.00 35.20 ATOM 187 C ASP 11 30.714 6.639 -4.236 1.00 23.11 ATOM 188 O ASP 11 29.500 6.802 -4.400 1.00 1.11 ATOM 189 N LYS 12 31.250 6.370 -3.044 1.00 41.22 ATOM 190 HN LYS 12 32.207 6.150 -2.991 1.00 38.81 ATOM 191 CA LYS 12 30.449 6.384 -1.813 1.00 30.34 ATOM 192 HA LYS 12 29.705 5.604 -1.891 1.00 62.11 ATOM 193 CB LYS 12 31.343 6.109 -0.595 1.00 14.21 ATOM 194 HB1 LYS 12 30.788 6.341 0.305 1.00 38.81 ATOM 195 HB2 LYS 12 32.208 6.756 -0.646 1.00 53.00 ATOM 196 CG LYS 12 31.835 4.668 -0.495 1.00 24.31 ATOM 197 HG1 LYS 12 32.625 4.618 0.240 1.00 38.81 ATOM 198 HG2 LYS 12 32.222 4.362 -1.458 1.00 35.42 ATOM 199 CD LYS 12 30.717 3.709 -0.086 1.00 52.43 ATOM 200 HD1 LYS 12 31.107 2.701 -0.080 1.00 38.81 ATOM 201 HD2 LYS 12 29.912 3.779 -0.804 1.00 2.22 ATOM 202 CE LYS 12 30.170 4.037 1.301 1.00 3.31 ATOM 203 HE1 LYS 12 29.383 3.336 1.539 1.00 38.81 ATOM 204 HE2 LYS 12 29.764 5.039 1.289 1.00 22.02 ATOM 205 NZ LYS 12 31.222 3.956 2.351 1.00 52.41 ATOM 206 HZ1 LYS 12 32.041 4.538 2.088 1.00 53.14 ATOM 207 HZ2 LYS 12 31.536 2.973 2.469 1.00 73.52 ATOM 208 HZ3 LYS 12 30.848 4.298 3.261 1.00 73.01 ATOM 209 C LYS 12 29.734 7.733 -1.642 1.00 65.13 ATOM 210 O LYS 12 28.703 7.823 -0.983 1.00 22.14 ATOM 211 N LYS 13 30.287 8.766 -2.272 1.00 2.02 ATOM 212 HN LYS 13 31.085 8.606 -2.800 1.00 38.81 ATOM 213 CA LYS 13 29.727 10.122 -2.220 1.00 61.42 ATOM 214 HA LYS 13 29.746 10.457 -1.192 1.00 21.42 ATOM 215 CB LYS 13 30.552 11.094 -3.091 1.00 32.52 ATOM 216 HB1 LYS 13 30.104 12.076 -3.021 1.00 38.81 ATOM 217 HB2 LYS 13 30.492 10.765 -4.119 1.00 43.52 ATOM 218 CG LYS 13 32.039 11.228 -2.731 1.00 52.14 ATOM 219 HG1 LYS 13 32.122 11.449 -1.675 1.00 38.81 ATOM 220 HG2 LYS 13 32.459 12.048 -3.298 1.00 20.32 ATOM 221 CD LYS 13 32.840 9.958 -3.035 1.00 60.43 ATOM 222 HD1 LYS 13 32.453 9.506 -3.939 1.00 38.81 ATOM 223 HD2 LYS 13 32.725 9.268 -2.211 1.00 21.02 ATOM 224 CE LYS 13 34.323 10.239 -3.225 1.00 62.53 ATOM 225 HE1 LYS 13 34.857 9.299 -3.230 1.00 38.81 ATOM 226 HE2 LYS 13 34.673 10.845 -2.402 1.00 65.14 ATOM 227 NZ LYS 13 34.592 10.953 -4.500 1.00 53.54 ATOM 228 HZ1 LYS 13 34.149 11.894 -4.486 1.00 32.51 ATOM 229 HZ2 LYS 13 34.207 10.413 -5.303 1.00 43.13 ATOM 230 HZ3 LYS 13 35.616 11.068 -4.638 1.00 34.22 ATOM 231 C LYS 13 28.276 10.119 -2.726 1.00 72.43 ATOM 232 O LYS 13 27.360 10.601 -2.059 1.00 74.44 ATOM 233 N LEU 14 28.089 9.540 -3.912 1.00 22.14 ATOM 234 HN LEU 14 28.861 9.151 -4.371 1.00 38.81 ATOM 235 CA LEU 14 26.773 9.459 -4.550 1.00 64.45 ATOM 236 HA LEU 14 26.326 10.443 -4.516 1.00 44.11 ATOM 237 CB LEU 14 26.951 9.041 -6.029 1.00 62.10 ATOM 238 HB1 LEU 14 27.326 8.027 -6.046 1.00 38.81 ATOM 239 HB2 LEU 14 27.704 9.684 -6.464 1.00 63.41 ATOM 240 CG LEU 14 25.692 9.106 -6.929 1.00 72.11 ATOM 241 HG LEU 14 25.112 9.979 -6.665 1.00 34.44 ATOM 242 CD1 LEU 14 26.092 9.239 -8.399 1.00 53.35 ATOM 243 HD11 LEU 14 26.699 8.392 -8.687 1.00 43.42 ATOM 244 HD12 LEU 14 26.657 10.150 -8.540 1.00 44.20 ATOM 245 HD13 LEU 14 25.203 9.270 -9.014 1.00 34.14 ATOM 246 CD2 LEU 14 24.807 7.875 -6.744 1.00 24.23 ATOM 247 HD21 LEU 14 24.482 7.815 -5.715 1.00 10.42 ATOM 248 HD22 LEU 14 25.366 6.985 -6.997 1.00 34.23 ATOM 249 HD23 LEU 14 23.942 7.951 -7.389 1.00 32.13 ATOM 250 C LEU 14 25.866 8.476 -3.795 1.00 23.25 ATOM 251 O LEU 14 24.675 8.730 -3.607 1.00 23.12 ATOM 252 N ILE 15 26.445 7.360 -3.355 1.00 63.33 ATOM 253 HN ILE 15 27.401 7.222 -3.529 1.00 38.81 ATOM 254 CA ILE 15 25.696 6.329 -2.625 1.00 44.23 ATOM 255 HA ILE 15 24.885 6.001 -3.260 1.00 33.31 ATOM 256 CB ILE 15 26.593 5.099 -2.317 1.00 23.52 ATOM 257 HB ILE 15 27.407 5.429 -1.685 1.00 22.52 ATOM 258 CG1 ILE 15 27.176 4.519 -3.622 1.00 0.22 ATOM 259 HG11 ILE 15 27.715 5.296 -4.146 1.00 38.81 ATOM 260 HG12 ILE 15 26.368 4.168 -4.247 1.00 34.23 ATOM 261 CG2 ILE 15 25.806 4.028 -1.554 1.00 54.42 ATOM 262 HG21 ILE 15 24.960 3.710 -2.146 1.00 64.30 ATOM 263 HG22 ILE 15 25.456 4.435 -0.616 1.00 42.21 ATOM 264 HG23 ILE 15 26.447 3.180 -1.359 1.00 54.05 ATOM 265 CD1 ILE 15 28.130 3.358 -3.407 1.00 61.01 ATOM 266 HD11 ILE 15 28.970 3.687 -2.812 1.00 63.34 ATOM 267 HD12 ILE 15 28.484 3.002 -4.365 1.00 31.04 ATOM 268 HD13 ILE 15 27.616 2.558 -2.894 1.00 25.45 ATOM 269 C ILE 15 25.101 6.868 -1.309 1.00 23.14 ATOM 270 O ILE 15 23.925 6.648 -1.015 1.00 32.42 ATOM 271 N GLU 16 25.914 7.574 -0.522 1.00 51.23 ATOM 272 HN GLU 16 26.834 7.742 -0.815 1.00 38.81 ATOM 273 CA GLU 16 25.466 8.112 0.771 1.00 34.30 ATOM 274 HA GLU 16 25.025 7.293 1.323 1.00 41.22 ATOM 275 CB GLU 16 26.661 8.652 1.573 1.00 54.12 ATOM 276 HB1 GLU 16 26.299 9.057 2.508 1.00 38.81 ATOM 277 HB2 GLU 16 27.130 9.443 1.008 1.00 14.03 ATOM 278 CG GLU 16 27.716 7.593 1.887 1.00 14.11 ATOM 279 HG1 GLU 16 28.091 7.188 0.957 1.00 38.81 ATOM 280 HG2 GLU 16 27.250 6.800 2.456 1.00 4.32 ATOM 281 CD GLU 16 28.888 8.139 2.688 1.00 74.51 ATOM 282 OE1 GLU 16 28.875 8.013 3.932 1.00 41.24 ATOM 283 OE2 GLU 16 29.834 8.686 2.081 1.00 13.33 ATOM 284 C GLU 16 24.396 9.205 0.594 1.00 13.15 ATOM 285 O GLU 16 23.393 9.219 1.310 1.00 44.53 ATOM 286 N GLU 17 24.604 10.115 -0.363 1.00 61.21 ATOM 287 HN GLU 17 25.444 10.093 -0.872 1.00 38.81 ATOM 288 CA GLU 17 23.602 11.151 -0.669 1.00 71.14 ATOM 289 HA GLU 17 23.413 11.700 0.243 1.00 25.13 ATOM 290 CB GLU 17 24.128 12.127 -1.735 1.00 23.24 ATOM 291 HB1 GLU 17 23.309 12.744 -2.078 1.00 38.81 ATOM 292 HB2 GLU 17 24.506 11.556 -2.573 1.00 5.22 ATOM 293 CG GLU 17 25.244 13.047 -1.244 1.00 62.35 ATOM 294 HG1 GLU 17 25.542 13.694 -2.058 1.00 38.81 ATOM 295 HG2 GLU 17 26.087 12.438 -0.949 1.00 24.14 ATOM 296 CD GLU 17 24.830 13.914 -0.060 1.00 75.23 ATOM 297 OE1 GLU 17 23.764 14.568 -0.129 1.00 55.53 ATOM 298 OE2 GLU 17 25.572 13.957 0.943 1.00 64.25 ATOM 299 C GLU 17 22.281 10.525 -1.141 1.00 65.42 ATOM 300 O GLU 17 21.196 10.965 -0.748 1.00 21.23 ATOM 301 N ALA 18 22.383 9.496 -1.984 1.00 60.52 ATOM 302 HN ALA 18 23.271 9.235 -2.311 1.00 38.81 ATOM 303 CA ALA 18 21.210 8.747 -2.443 1.00 11.22 ATOM 304 HA ALA 18 20.541 9.442 -2.932 1.00 52.11 ATOM 305 CB ALA 18 21.625 7.691 -3.462 1.00 70.34 ATOM 306 HB1 ALA 18 20.749 7.179 -3.831 1.00 11.31 ATOM 307 HB2 ALA 18 22.289 6.978 -2.994 1.00 34.44 ATOM 308 HB3 ALA 18 22.136 8.169 -4.286 1.00 13.25 ATOM 309 C ALA 18 20.476 8.096 -1.261 1.00 62.23 ATOM 310 O ALA 18 19.247 8.131 -1.183 1.00 73.33 ATOM 311 N ARG 19 21.240 7.509 -0.338 1.00 70.54 ATOM 312 HN ARG 19 22.208 7.452 -0.491 1.00 38.81 ATOM 313 CA ARG 19 20.673 6.944 0.893 1.00 44.05 ATOM 314 HA ARG 19 19.980 6.164 0.609 1.00 34.14 ATOM 315 CB ARG 19 21.778 6.333 1.767 1.00 41.24 ATOM 316 HB1 ARG 19 21.358 6.084 2.734 1.00 38.81 ATOM 317 HB2 ARG 19 22.557 7.070 1.906 1.00 64.25 ATOM 318 CG ARG 19 22.414 5.073 1.184 1.00 24.12 ATOM 319 HG1 ARG 19 22.870 5.318 0.236 1.00 38.81 ATOM 320 HG2 ARG 19 21.647 4.328 1.033 1.00 71.14 ATOM 321 CD ARG 19 23.481 4.507 2.115 1.00 40.53 ATOM 322 HD1 ARG 19 24.290 5.221 2.192 1.00 38.81 ATOM 323 HD2 ARG 19 23.855 3.583 1.696 1.00 53.24 ATOM 324 NE ARG 19 22.952 4.243 3.452 1.00 10.43 ATOM 325 HE ARG 19 22.049 4.558 3.648 1.00 41.30 ATOM 326 CZ ARG 19 23.607 3.622 4.396 1.00 61.12 ATOM 327 NH1 ARG 19 24.813 3.189 4.197 1.00 1.32 ATOM 328 HH11 ARG 19 25.256 3.328 3.316 1.00 32.31 ATOM 329 HH12 ARG 19 25.296 2.715 4.933 1.00 13.30 ATOM 330 NH2 ARG 19 23.056 3.436 5.547 1.00 24.24 ATOM 331 HH21 ARG 19 22.130 3.770 5.718 1.00 5.12 ATOM 332 HH22 ARG 19 23.557 2.958 6.266 1.00 43.35 ATOM 333 C ARG 19 19.913 8.012 1.694 1.00 51.12 ATOM 334 O ARG 19 18.759 7.812 2.072 1.00 65.32 ATOM 335 N LYS 20 20.571 9.146 1.940 1.00 2.00 ATOM 336 HN LYS 20 21.503 9.226 1.641 1.00 38.81 ATOM 337 CA LYS 20 19.950 10.278 2.642 1.00 24.34 ATOM 338 HA LYS 20 19.804 9.986 3.673 1.00 64.31 ATOM 339 CB LYS 20 20.890 11.494 2.595 1.00 64.41 ATOM 340 HB1 LYS 20 20.368 12.355 2.991 1.00 38.81 ATOM 341 HB2 LYS 20 21.154 11.691 1.564 1.00 33.14 ATOM 342 CG LYS 20 22.177 11.302 3.395 1.00 24.11 ATOM 343 HG1 LYS 20 22.597 10.335 3.149 1.00 38.81 ATOM 344 HG2 LYS 20 21.935 11.325 4.447 1.00 4.23 ATOM 345 CD LYS 20 23.228 12.383 3.112 1.00 14.10 ATOM 346 HD1 LYS 20 23.551 12.289 2.084 1.00 38.81 ATOM 347 HD2 LYS 20 24.073 12.219 3.764 1.00 23.41 ATOM 348 CE LYS 20 22.707 13.804 3.339 1.00 22.32 ATOM 349 HE1 LYS 20 23.543 14.441 3.592 1.00 38.81 ATOM 350 HE2 LYS 20 22.007 13.793 4.161 1.00 12.23 ATOM 351 NZ LYS 20 22.026 14.361 2.136 1.00 13.03 ATOM 352 HZ1 LYS 20 21.723 15.339 2.319 1.00 21.21 ATOM 353 HZ2 LYS 20 21.189 13.795 1.895 1.00 70.40 ATOM 354 HZ3 LYS 20 22.676 14.361 1.322 1.00 75.41 ATOM 355 C LYS 20 18.583 10.634 2.033 1.00 43.22 ATOM 356 O LYS 20 17.596 10.811 2.749 1.00 24.23 ATOM 357 N MET 21 18.532 10.720 0.707 1.00 42.42 ATOM 358 HN MET 21 19.360 10.601 0.190 1.00 38.81 ATOM 359 CA MET 21 17.279 10.987 -0.005 1.00 42.33 ATOM 360 HA MET 21 16.863 11.903 0.393 1.00 22.44 ATOM 361 CB MET 21 17.553 11.180 -1.498 1.00 44.52 ATOM 362 HB1 MET 21 16.612 11.184 -2.033 1.00 38.81 ATOM 363 HB2 MET 21 18.156 10.356 -1.854 1.00 5.31 ATOM 364 CG MET 21 18.282 12.473 -1.807 1.00 2.23 ATOM 365 HG1 MET 21 18.384 12.570 -2.876 1.00 38.81 ATOM 366 HG2 MET 21 19.262 12.438 -1.355 1.00 42.44 ATOM 367 SD MET 21 17.402 13.915 -1.175 1.00 61.20 ATOM 368 CE MET 21 15.797 13.693 -1.945 1.00 72.22 ATOM 369 HE1 MET 21 15.904 13.719 -3.020 1.00 2.33 ATOM 370 HE2 MET 21 15.135 14.486 -1.630 1.00 13.13 ATOM 371 HE3 MET 21 15.384 12.737 -1.647 1.00 35.30 ATOM 372 C MET 21 16.260 9.860 0.197 1.00 0.21 ATOM 373 O MET 21 15.087 10.112 0.482 1.00 1.33 ATOM 374 N ALA 22 16.716 8.620 0.056 1.00 41.23 ATOM 375 HN ALA 22 17.661 8.484 -0.165 1.00 38.81 ATOM 376 CA ALA 22 15.848 7.455 0.223 1.00 22.31 ATOM 377 HA ALA 22 15.081 7.507 -0.538 1.00 54.22 ATOM 378 CB ALA 22 16.644 6.171 0.008 1.00 50.11 ATOM 379 HB1 ALA 22 17.086 6.181 -0.977 1.00 4.14 ATOM 380 HB2 ALA 22 15.986 5.319 0.098 1.00 24.04 ATOM 381 HB3 ALA 22 17.425 6.102 0.751 1.00 44.21 ATOM 382 C ALA 22 15.177 7.450 1.606 1.00 74.25 ATOM 383 O ALA 22 14.018 7.061 1.743 1.00 65.13 ATOM 384 N GLU 23 15.910 7.894 2.625 1.00 34.54 ATOM 385 HN GLU 23 16.844 8.148 2.462 1.00 38.81 ATOM 386 CA GLU 23 15.368 8.001 3.985 1.00 13.21 ATOM 387 HA GLU 23 14.953 7.037 4.248 1.00 52.51 ATOM 388 CB GLU 23 16.485 8.346 4.984 1.00 30.23 ATOM 389 HB1 GLU 23 16.069 8.357 5.981 1.00 38.81 ATOM 390 HB2 GLU 23 16.867 9.332 4.754 1.00 22.23 ATOM 391 CG GLU 23 17.658 7.365 4.967 1.00 31.44 ATOM 392 HG1 GLU 23 18.380 7.676 5.709 1.00 38.81 ATOM 393 HG2 GLU 23 18.119 7.396 3.990 1.00 64.13 ATOM 394 CD GLU 23 17.241 5.931 5.262 1.00 54.05 ATOM 395 OE1 GLU 23 17.027 5.151 4.306 1.00 44.12 ATOM 396 OE2 GLU 23 17.125 5.576 6.456 1.00 44.10 ATOM 397 C GLU 23 14.246 9.053 4.059 1.00 15.54 ATOM 398 O GLU 23 13.189 8.807 4.642 1.00 15.20 ATOM 399 N LYS 24 14.477 10.221 3.457 1.00 15.25 ATOM 400 HN LYS 24 15.349 10.370 3.029 1.00 38.81 ATOM 401 CA LYS 24 13.465 11.291 3.415 1.00 50.44 ATOM 402 HA LYS 24 13.155 11.486 4.433 1.00 75.41 ATOM 403 CB LYS 24 14.067 12.583 2.824 1.00 13.14 ATOM 404 HB1 LYS 24 13.269 13.178 2.401 1.00 38.81 ATOM 405 HB2 LYS 24 14.755 12.315 2.034 1.00 41.02 ATOM 406 CG LYS 24 14.820 13.451 3.837 1.00 34.44 ATOM 407 HG1 LYS 24 14.118 13.801 4.582 1.00 38.81 ATOM 408 HG2 LYS 24 15.244 14.301 3.320 1.00 62.02 ATOM 409 CD LYS 24 15.944 12.692 4.535 1.00 44.22 ATOM 410 HD1 LYS 24 16.657 12.361 3.793 1.00 38.81 ATOM 411 HD2 LYS 24 15.526 11.831 5.038 1.00 4.15 ATOM 412 CE LYS 24 16.665 13.558 5.562 1.00 41.23 ATOM 413 HE1 LYS 24 17.137 14.384 5.051 1.00 38.81 ATOM 414 HE2 LYS 24 17.422 12.961 6.053 1.00 52.31 ATOM 415 NZ LYS 24 15.735 14.093 6.589 1.00 15.24 ATOM 416 HZ1 LYS 24 15.092 14.790 6.165 1.00 13.03 ATOM 417 HZ2 LYS 24 16.270 14.555 7.350 1.00 73.33 ATOM 418 HZ3 LYS 24 15.168 13.321 6.998 1.00 45.23 ATOM 419 C LYS 24 12.228 10.867 2.605 1.00 31.15 ATOM 420 O LYS 24 11.114 11.317 2.875 1.00 33.13 ATOM 421 N ALA 25 12.435 10.001 1.614 1.00 20.32 ATOM 422 HN ALA 25 13.351 9.697 1.435 1.00 38.81 ATOM 423 CA ALA 25 11.340 9.503 0.771 1.00 3.43 ATOM 424 HA ALA 25 10.546 10.237 0.786 1.00 64.33 ATOM 425 CB ALA 25 11.827 9.368 -0.668 1.00 1.44 ATOM 426 HB1 ALA 25 12.204 10.320 -1.013 1.00 53.32 ATOM 427 HB2 ALA 25 11.008 9.058 -1.299 1.00 41.55 ATOM 428 HB3 ALA 25 12.615 8.631 -0.715 1.00 65.31 ATOM 429 C ALA 25 10.780 8.160 1.279 1.00 74.32 ATOM 430 O ALA 25 9.819 7.625 0.719 1.00 51.23 ATOM 431 N ASN 26 11.393 7.620 2.339 1.00 12.03 ATOM 432 HN ASN 26 12.141 8.107 2.745 1.00 38.81 ATOM 433 CA ASN 26 10.989 6.328 2.927 1.00 2.32 ATOM 434 HA ASN 26 11.654 6.133 3.757 1.00 53.14 ATOM 435 CB ASN 26 9.546 6.406 3.460 1.00 14.21 ATOM 436 HB1 ASN 26 8.862 6.446 2.623 1.00 38.81 ATOM 437 HB2 ASN 26 9.436 7.307 4.047 1.00 3.23 ATOM 438 CG ASN 26 9.164 5.217 4.334 1.00 34.34 ATOM 439 OD1 ASN 26 8.019 4.773 4.334 1.00 50.35 ATOM 440 ND2 ASN 26 10.106 4.709 5.111 1.00 24.42 ATOM 441 HD21 ASN 26 10.996 5.114 5.091 1.00 10.41 ATOM 442 HD22 ASN 26 9.869 3.950 5.683 1.00 41.12 ATOM 443 C ASN 26 11.134 5.173 1.911 1.00 3.32 ATOM 444 O ASN 26 10.449 4.151 1.999 1.00 51.24 ATOM 445 N LEU 27 12.046 5.335 0.954 1.00 34.30 ATOM 446 HN LEU 27 12.564 6.166 0.931 1.00 38.81 ATOM 447 CA LEU 27 12.303 4.306 -0.060 1.00 71.41 ATOM 448 HA LEU 27 11.407 3.709 -0.167 1.00 3.14 ATOM 449 CB LEU 27 12.630 4.959 -1.413 1.00 12.15 ATOM 450 HB1 LEU 27 12.743 4.174 -2.148 1.00 38.81 ATOM 451 HB2 LEU 27 13.577 5.474 -1.318 1.00 62.50 ATOM 452 CG LEU 27 11.586 5.962 -1.938 1.00 53.41 ATOM 453 HG LEU 27 11.569 6.821 -1.281 1.00 3.14 ATOM 454 CD1 LEU 27 11.965 6.459 -3.332 1.00 51.24 ATOM 455 HD11 LEU 27 11.218 7.158 -3.682 1.00 4.51 ATOM 456 HD12 LEU 27 12.021 5.622 -4.013 1.00 5.22 ATOM 457 HD13 LEU 27 12.924 6.953 -3.290 1.00 1.24 ATOM 458 CD2 LEU 27 10.187 5.347 -1.937 1.00 24.31 ATOM 459 HD21 LEU 27 9.480 6.058 -2.341 1.00 0.42 ATOM 460 HD22 LEU 27 9.902 5.098 -0.925 1.00 15.43 ATOM 461 HD23 LEU 27 10.183 4.451 -2.542 1.00 63.42 ATOM 462 C LEU 27 13.462 3.390 0.368 1.00 54.04 ATOM 463 O LEU 27 14.499 3.863 0.838 1.00 61.23 ATOM 464 N GLU 28 13.281 2.082 0.210 1.00 14.22 ATOM 465 HN GLU 28 12.424 1.755 -0.140 1.00 38.81 ATOM 466 CA GLU 28 14.325 1.114 0.562 1.00 61.34 ATOM 467 HA GLU 28 14.821 1.480 1.453 1.00 3.52 ATOM 468 CB GLU 28 13.698 -0.251 0.879 1.00 61.40 ATOM 469 HB1 GLU 28 13.255 -0.650 -0.024 1.00 38.81 ATOM 470 HB2 GLU 28 12.918 -0.111 1.616 1.00 23.42 ATOM 471 CG GLU 28 14.689 -1.278 1.422 1.00 43.44 ATOM 472 HG1 GLU 28 15.309 -0.802 2.170 1.00 38.81 ATOM 473 HG2 GLU 28 15.313 -1.621 0.609 1.00 75.34 ATOM 474 CD GLU 28 14.003 -2.482 2.052 1.00 20.31 ATOM 475 OE1 GLU 28 13.694 -2.429 3.265 1.00 42.22 ATOM 476 OE2 GLU 28 13.775 -3.486 1.351 1.00 2.34 ATOM 477 C GLU 28 15.370 0.996 -0.562 1.00 65.12 ATOM 478 O GLU 28 15.110 0.423 -1.625 1.00 35.22 ATOM 479 N LEU 29 16.551 1.561 -0.318 1.00 22.53 ATOM 480 HN LEU 29 16.700 1.980 0.556 1.00 38.81 ATOM 481 CA LEU 29 17.631 1.587 -1.308 1.00 61.31 ATOM 482 HA LEU 29 17.175 1.675 -2.286 1.00 45.45 ATOM 483 CB LEU 29 18.512 2.830 -1.066 1.00 11.11 ATOM 484 HB1 LEU 29 18.913 2.769 -0.064 1.00 38.81 ATOM 485 HB2 LEU 29 17.870 3.701 -1.116 1.00 74.32 ATOM 486 CG LEU 29 19.688 3.044 -2.047 1.00 32.13 ATOM 487 HG LEU 29 19.407 2.675 -3.023 1.00 22.11 ATOM 488 CD1 LEU 29 20.012 4.530 -2.181 1.00 34.13 ATOM 489 HD11 LEU 29 20.312 4.926 -1.221 1.00 30.41 ATOM 490 HD12 LEU 29 19.138 5.059 -2.531 1.00 61.51 ATOM 491 HD13 LEU 29 20.817 4.660 -2.890 1.00 32.33 ATOM 492 CD2 LEU 29 20.936 2.282 -1.591 1.00 43.12 ATOM 493 HD21 LEU 29 21.746 2.472 -2.281 1.00 4.20 ATOM 494 HD22 LEU 29 20.726 1.222 -1.572 1.00 14.04 ATOM 495 HD23 LEU 29 21.223 2.610 -0.601 1.00 3.23 ATOM 496 C LEU 29 18.465 0.295 -1.275 1.00 53.54 ATOM 497 O LEU 29 18.894 -0.164 -0.212 1.00 62.14 ATOM 498 N ARG 30 18.683 -0.289 -2.451 1.00 23.23 ATOM 499 HN ARG 30 18.285 0.109 -3.254 1.00 38.81 ATOM 500 CA ARG 30 19.498 -1.500 -2.597 1.00 51.23 ATOM 501 HA ARG 30 19.811 -1.817 -1.610 1.00 2.33 ATOM 502 CB ARG 30 18.665 -2.619 -3.243 1.00 51.22 ATOM 503 HB1 ARG 30 19.299 -3.485 -3.378 1.00 38.81 ATOM 504 HB2 ARG 30 18.331 -2.282 -4.213 1.00 44.03 ATOM 505 CG ARG 30 17.430 -3.053 -2.445 1.00 44.51 ATOM 506 HG1 ARG 30 16.825 -3.700 -3.067 1.00 38.81 ATOM 507 HG2 ARG 30 16.857 -2.174 -2.184 1.00 70.13 ATOM 508 CD ARG 30 17.794 -3.803 -1.161 1.00 33.33 ATOM 509 HD1 ARG 30 18.469 -4.611 -1.413 1.00 38.81 ATOM 510 HD2 ARG 30 16.891 -4.215 -0.733 1.00 24.24 ATOM 511 NE ARG 30 18.434 -2.943 -0.168 1.00 55.22 ATOM 512 HE ARG 30 18.428 -1.982 -0.332 1.00 24.04 ATOM 513 CZ ARG 30 19.006 -3.374 0.923 1.00 72.01 ATOM 514 NH1 ARG 30 19.049 -4.639 1.191 1.00 43.35 ATOM 515 HH11 ARG 30 18.642 -5.298 0.563 1.00 53.14 ATOM 516 HH12 ARG 30 19.494 -4.956 2.026 1.00 1.22 ATOM 517 NH2 ARG 30 19.537 -2.529 1.744 1.00 44.05 ATOM 518 HH21 ARG 30 19.510 -1.555 1.539 1.00 54.15 ATOM 519 HH22 ARG 30 19.964 -2.852 2.585 1.00 2.21 ATOM 520 C ARG 30 20.747 -1.212 -3.450 1.00 41.32 ATOM 521 O ARG 30 20.646 -0.660 -4.548 1.00 50.54 ATOM 522 N THR 31 21.919 -1.584 -2.941 1.00 34.42 ATOM 523 HN THR 31 21.937 -2.052 -2.078 1.00 38.81 ATOM 524 CA THR 31 23.189 -1.317 -3.636 1.00 4.23 ATOM 525 HA THR 31 23.051 -0.445 -4.261 1.00 41.45 ATOM 526 CB THR 31 24.327 -1.008 -2.630 1.00 54.34 ATOM 527 HB THR 31 25.259 -0.930 -3.176 1.00 52.23 ATOM 528 OG1 THR 31 24.441 -2.072 -1.672 1.00 53.21 ATOM 529 HG1 THR 31 24.732 -2.880 -2.117 1.00 4.34 ATOM 530 CG2 THR 31 24.082 0.311 -1.901 1.00 72.01 ATOM 531 HG21 THR 31 23.144 0.260 -1.365 1.00 3.10 ATOM 532 HG22 THR 31 24.042 1.119 -2.617 1.00 4.03 ATOM 533 HG23 THR 31 24.886 0.492 -1.201 1.00 42.01 ATOM 534 C THR 31 23.627 -2.492 -4.523 1.00 64.54 ATOM 535 O THR 31 23.962 -3.569 -4.030 1.00 24.42 ATOM 536 N VAL 32 23.644 -2.268 -5.835 1.00 70.51 ATOM 537 HN VAL 32 23.334 -1.400 -6.171 1.00 38.81 ATOM 538 CA VAL 32 24.109 -3.276 -6.793 1.00 44.41 ATOM 539 HA VAL 32 24.009 -4.251 -6.331 1.00 42.21 ATOM 540 CB VAL 32 23.257 -3.263 -8.087 1.00 13.11 ATOM 541 HB VAL 32 23.277 -2.262 -8.497 1.00 1.32 ATOM 542 CG1 VAL 32 23.834 -4.218 -9.130 1.00 72.53 ATOM 543 HG11 VAL 32 24.842 -3.918 -9.377 1.00 42.12 ATOM 544 HG12 VAL 32 23.223 -4.192 -10.022 1.00 1.31 ATOM 545 HG13 VAL 32 23.846 -5.223 -8.732 1.00 34.12 ATOM 546 CG2 VAL 32 21.806 -3.622 -7.779 1.00 73.41 ATOM 547 HG21 VAL 32 21.404 -2.925 -7.058 1.00 24.22 ATOM 548 HG22 VAL 32 21.760 -4.624 -7.375 1.00 24.54 ATOM 549 HG23 VAL 32 21.222 -3.576 -8.688 1.00 34.10 ATOM 550 C VAL 32 25.586 -3.054 -7.151 1.00 42.45 ATOM 551 O VAL 32 26.048 -1.918 -7.266 1.00 3.31 ATOM 552 N LYS 33 26.323 -4.147 -7.318 1.00 10.33 ATOM 553 HN LYS 33 25.893 -5.023 -7.236 1.00 38.81 ATOM 554 CA LYS 33 27.757 -4.084 -7.620 1.00 72.52 ATOM 555 HA LYS 33 28.071 -3.050 -7.569 1.00 24.14 ATOM 556 CB LYS 33 28.530 -4.899 -6.574 1.00 5.34 ATOM 557 HB1 LYS 33 29.588 -4.708 -6.693 1.00 38.81 ATOM 558 HB2 LYS 33 28.345 -5.951 -6.744 1.00 50.51 ATOM 559 CG LYS 33 28.139 -4.569 -5.133 1.00 24.23 ATOM 560 HG1 LYS 33 28.453 -5.380 -4.491 1.00 38.81 ATOM 561 HG2 LYS 33 27.064 -4.470 -5.084 1.00 61.04 ATOM 562 CD LYS 33 28.763 -3.268 -4.634 1.00 62.52 ATOM 563 HD1 LYS 33 28.485 -2.464 -5.302 1.00 38.81 ATOM 564 HD2 LYS 33 29.840 -3.375 -4.626 1.00 34.03 ATOM 565 CE LYS 33 28.292 -2.925 -3.220 1.00 53.40 ATOM 566 HE1 LYS 33 27.234 -2.702 -3.250 1.00 38.81 ATOM 567 HE2 LYS 33 28.830 -2.055 -2.874 1.00 45.23 ATOM 568 NZ LYS 33 28.522 -4.044 -2.264 1.00 1.11 ATOM 569 HZ1 LYS 33 28.250 -3.755 -1.302 1.00 73.35 ATOM 570 HZ2 LYS 33 29.524 -4.316 -2.261 1.00 13.03 ATOM 571 HZ3 LYS 33 27.951 -4.872 -2.535 1.00 40.41 ATOM 572 C LYS 33 28.044 -4.624 -9.030 1.00 40.31 ATOM 573 O LYS 33 28.496 -3.895 -9.914 1.00 12.23 ATOM 574 N THR 34 27.767 -5.911 -9.228 1.00 51.54 ATOM 575 HN THR 34 27.398 -6.434 -8.486 1.00 38.81 ATOM 576 CA THR 34 27.996 -6.580 -10.519 1.00 54.40 ATOM 577 HA THR 34 28.634 -5.951 -11.126 1.00 40.32 ATOM 578 CB THR 34 28.696 -7.946 -10.325 1.00 51.54 ATOM 579 HB THR 34 28.896 -8.374 -11.300 1.00 42.20 ATOM 580 OG1 THR 34 27.832 -8.836 -9.594 1.00 12.52 ATOM 581 HG1 THR 34 28.362 -9.531 -9.177 1.00 53.43 ATOM 582 CG2 THR 34 30.017 -7.788 -9.579 1.00 23.01 ATOM 583 HG21 THR 34 30.667 -7.125 -10.132 1.00 44.40 ATOM 584 HG22 THR 34 30.493 -8.753 -9.477 1.00 62.34 ATOM 585 HG23 THR 34 29.831 -7.374 -8.598 1.00 63.44 ATOM 586 C THR 34 26.680 -6.834 -11.266 1.00 43.25 ATOM 587 O THR 34 25.592 -6.593 -10.734 1.00 73.32 ATOM 588 N GLU 35 26.787 -7.333 -12.498 1.00 31.50 ATOM 589 HN GLU 35 27.677 -7.411 -12.904 1.00 38.81 ATOM 590 CA GLU 35 25.614 -7.758 -13.268 1.00 62.22 ATOM 591 HA GLU 35 24.962 -6.904 -13.384 1.00 70.21 ATOM 592 CB GLU 35 26.046 -8.260 -14.653 1.00 45.22 ATOM 593 HB1 GLU 35 26.681 -9.127 -14.528 1.00 38.81 ATOM 594 HB2 GLU 35 26.614 -7.481 -15.142 1.00 54.22 ATOM 595 CG GLU 35 24.886 -8.644 -15.564 1.00 74.32 ATOM 596 HG1 GLU 35 24.319 -7.753 -15.798 1.00 38.81 ATOM 597 HG2 GLU 35 24.251 -9.345 -15.041 1.00 53.25 ATOM 598 CD GLU 35 25.351 -9.279 -16.865 1.00 71.14 ATOM 599 OE1 GLU 35 26.259 -8.717 -17.514 1.00 53.14 ATOM 600 OE2 GLU 35 24.804 -10.332 -17.250 1.00 42.43 ATOM 601 C GLU 35 24.861 -8.870 -12.521 1.00 14.23 ATOM 602 O GLU 35 23.627 -8.880 -12.455 1.00 44.33 ATOM 603 N ASP 36 25.627 -9.802 -11.950 1.00 62.32 ATOM 604 HN ASP 36 26.597 -9.769 -12.094 1.00 38.81 ATOM 605 CA ASP 36 25.070 -10.882 -11.135 1.00 0.43 ATOM 606 HA ASP 36 24.419 -11.471 -11.768 1.00 50.44 ATOM 607 CB ASP 36 26.197 -11.778 -10.610 1.00 51.13 ATOM 608 HB1 ASP 36 26.790 -11.222 -9.897 1.00 38.81 ATOM 609 HB2 ASP 36 26.828 -12.077 -11.436 1.00 41.24 ATOM 610 CG ASP 36 25.667 -13.029 -9.930 1.00 1.15 ATOM 611 OD1 ASP 36 25.386 -14.020 -10.640 1.00 23.11 ATOM 612 OD2 ASP 36 25.533 -13.034 -8.690 1.00 5.25 ATOM 613 C ASP 36 24.247 -10.325 -9.964 1.00 75.11 ATOM 614 O ASP 36 23.164 -10.826 -9.668 1.00 4.20 ATOM 615 N GLU 37 24.764 -9.285 -9.306 1.00 72.15 ATOM 616 HN GLU 37 25.658 -8.961 -9.554 1.00 38.81 ATOM 617 CA GLU 37 24.035 -8.621 -8.218 1.00 75.23 ATOM 618 HA GLU 37 23.823 -9.372 -7.466 1.00 41.02 ATOM 619 CB GLU 37 24.891 -7.516 -7.581 1.00 50.53 ATOM 620 HB1 GLU 37 24.256 -6.894 -6.967 1.00 38.81 ATOM 621 HB2 GLU 37 25.313 -6.909 -8.371 1.00 71.01 ATOM 622 CG GLU 37 26.039 -8.029 -6.713 1.00 54.32 ATOM 623 HG1 GLU 37 26.625 -7.182 -6.381 1.00 38.81 ATOM 624 HG2 GLU 37 26.663 -8.677 -7.313 1.00 4.21 ATOM 625 CD GLU 37 25.569 -8.806 -5.485 1.00 44.40 ATOM 626 OE1 GLU 37 26.188 -9.843 -5.157 1.00 11.15 ATOM 627 OE2 GLU 37 24.590 -8.380 -4.833 1.00 31.13 ATOM 628 C GLU 37 22.700 -8.034 -8.707 1.00 60.02 ATOM 629 O GLU 37 21.673 -8.189 -8.050 1.00 44.21 ATOM 630 N LEU 38 22.720 -7.361 -9.860 1.00 63.24 ATOM 631 HN LEU 38 23.576 -7.234 -10.321 1.00 38.81 ATOM 632 CA LEU 38 21.498 -6.800 -10.455 1.00 74.14 ATOM 633 HA LEU 38 21.129 -6.030 -9.791 1.00 52.23 ATOM 634 CB LEU 38 21.837 -6.168 -11.826 1.00 21.15 ATOM 635 HB1 LEU 38 21.937 -6.968 -12.548 1.00 38.81 ATOM 636 HB2 LEU 38 22.797 -5.679 -11.736 1.00 61.24 ATOM 637 CG LEU 38 20.832 -5.137 -12.390 1.00 14.11 ATOM 638 HG LEU 38 21.264 -4.679 -13.269 1.00 62.52 ATOM 639 CD1 LEU 38 19.523 -5.795 -12.818 1.00 11.21 ATOM 640 HD11 LEU 38 19.730 -6.573 -13.539 1.00 73.21 ATOM 641 HD12 LEU 38 18.874 -5.055 -13.266 1.00 42.55 ATOM 642 HD13 LEU 38 19.034 -6.226 -11.955 1.00 25.32 ATOM 643 CD2 LEU 38 20.568 -4.027 -11.375 1.00 62.42 ATOM 644 HD21 LEU 38 21.501 -3.548 -11.114 1.00 1.42 ATOM 645 HD22 LEU 38 20.117 -4.447 -10.487 1.00 14.22 ATOM 646 HD23 LEU 38 19.898 -3.296 -11.806 1.00 55.33 ATOM 647 C LEU 38 20.425 -7.899 -10.595 1.00 51.03 ATOM 648 O LEU 38 19.308 -7.763 -10.094 1.00 50.33 ATOM 649 N LYS 39 20.798 -9.000 -11.248 1.00 44.14 ATOM 650 HN LYS 39 21.686 -9.017 -11.667 1.00 38.81 ATOM 651 CA LYS 39 19.937 -10.188 -11.366 1.00 4.41 ATOM 652 HA LYS 39 19.058 -9.916 -11.934 1.00 24.52 ATOM 653 CB LYS 39 20.707 -11.286 -12.115 1.00 13.55 ATOM 654 HB1 LYS 39 21.674 -11.407 -11.645 1.00 38.81 ATOM 655 HB2 LYS 39 20.857 -10.966 -13.136 1.00 61.03 ATOM 656 CG LYS 39 20.011 -12.647 -12.140 1.00 73.11 ATOM 657 HG1 LYS 39 19.213 -12.620 -12.869 1.00 38.81 ATOM 658 HG2 LYS 39 19.599 -12.850 -11.162 1.00 14.25 ATOM 659 CD LYS 39 20.983 -13.767 -12.507 1.00 25.43 ATOM 660 HD1 LYS 39 21.383 -13.577 -13.494 1.00 38.81 ATOM 661 HD2 LYS 39 20.450 -14.708 -12.509 1.00 44.24 ATOM 662 CE LYS 39 22.139 -13.853 -11.510 1.00 34.35 ATOM 663 HE1 LYS 39 21.734 -14.008 -10.520 1.00 38.81 ATOM 664 HE2 LYS 39 22.687 -12.922 -11.530 1.00 33.41 ATOM 665 NZ LYS 39 23.075 -14.961 -11.825 1.00 71.23 ATOM 666 HZ1 LYS 39 23.886 -14.940 -11.172 1.00 31.44 ATOM 667 HZ2 LYS 39 23.426 -14.867 -12.795 1.00 41.34 ATOM 668 HZ3 LYS 39 22.592 -15.877 -11.729 1.00 13.21 ATOM 669 C LYS 39 19.506 -10.711 -9.978 1.00 32.21 ATOM 670 O LYS 39 18.329 -10.997 -9.735 1.00 42.14 ATOM 671 N LYS 40 20.483 -10.823 -9.084 1.00 12.51 ATOM 672 HN LYS 40 21.387 -10.566 -9.354 1.00 38.81 ATOM 673 CA LYS 40 20.278 -11.311 -7.715 1.00 53.41 ATOM 674 HA LYS 40 19.978 -12.349 -7.780 1.00 61.21 ATOM 675 CB LYS 40 21.621 -11.233 -6.966 1.00 51.24 ATOM 676 HB1 LYS 40 22.103 -10.300 -7.229 1.00 38.81 ATOM 677 HB2 LYS 40 22.247 -12.047 -7.302 1.00 13.32 ATOM 678 CG LYS 40 21.535 -11.307 -5.444 1.00 42.14 ATOM 679 HG1 LYS 40 20.962 -12.180 -5.164 1.00 38.81 ATOM 680 HG2 LYS 40 21.042 -10.417 -5.078 1.00 40.41 ATOM 681 CD LYS 40 22.929 -11.402 -4.821 1.00 15.44 ATOM 682 HD1 LYS 40 23.581 -10.689 -5.309 1.00 38.81 ATOM 683 HD2 LYS 40 23.313 -12.401 -4.974 1.00 1.10 ATOM 684 CE LYS 40 22.916 -11.113 -3.328 1.00 72.25 ATOM 685 HE1 LYS 40 23.885 -11.360 -2.919 1.00 38.81 ATOM 686 HE2 LYS 40 22.162 -11.727 -2.860 1.00 51.30 ATOM 687 NZ LYS 40 22.622 -9.684 -3.041 1.00 45.24 ATOM 688 HZ1 LYS 40 21.661 -9.444 -3.358 1.00 64.32 ATOM 689 HZ2 LYS 40 23.304 -9.073 -3.536 1.00 34.34 ATOM 690 HZ3 LYS 40 22.691 -9.504 -2.018 1.00 34.53 ATOM 691 C LYS 40 19.177 -10.529 -6.975 1.00 53.04 ATOM 692 O LYS 40 18.322 -11.124 -6.312 1.00 64.01 ATOM 693 N TYR 41 19.196 -9.203 -7.094 1.00 65.03 ATOM 694 HN TYR 41 19.922 -8.779 -7.599 1.00 38.81 ATOM 695 CA TYR 41 18.160 -8.362 -6.482 1.00 43.41 ATOM 696 HA TYR 41 18.019 -8.712 -5.467 1.00 4.15 ATOM 697 CB TYR 41 18.607 -6.892 -6.434 1.00 72.42 ATOM 698 HB1 TYR 41 17.744 -6.262 -6.266 1.00 38.81 ATOM 699 HB2 TYR 41 19.057 -6.628 -7.381 1.00 64.14 ATOM 700 CG TYR 41 19.617 -6.602 -5.339 1.00 2.14 ATOM 701 CD1 TYR 41 19.196 -6.311 -4.047 1.00 11.04 ATOM 702 HD1 TYR 41 18.139 -6.292 -3.832 1.00 34.15 ATOM 703 CD2 TYR 41 20.984 -6.623 -5.592 1.00 64.14 ATOM 704 HD2 TYR 41 21.332 -6.846 -6.590 1.00 33.13 ATOM 705 CE1 TYR 41 20.106 -6.053 -3.041 1.00 2.51 ATOM 706 HE1 TYR 41 19.756 -5.829 -2.043 1.00 71.35 ATOM 707 CE2 TYR 41 21.900 -6.364 -4.591 1.00 73.24 ATOM 708 HE2 TYR 41 22.959 -6.385 -4.809 1.00 24.22 ATOM 709 CZ TYR 41 21.455 -6.079 -3.318 1.00 32.22 ATOM 710 OH TYR 41 22.364 -5.831 -2.314 1.00 71.55 ATOM 711 HH TYR 41 22.059 -6.248 -1.496 1.00 24.54 ATOM 712 C TYR 41 16.818 -8.489 -7.221 1.00 50.50 ATOM 713 O TYR 41 15.756 -8.449 -6.599 1.00 72.51 ATOM 714 N LEU 42 16.864 -8.660 -8.543 1.00 23.21 ATOM 715 HN LEU 42 17.736 -8.686 -8.993 1.00 38.81 ATOM 716 CA LEU 42 15.637 -8.806 -9.338 1.00 51.24 ATOM 717 HA LEU 42 15.066 -7.896 -9.213 1.00 52.21 ATOM 718 CB LEU 42 15.960 -8.974 -10.830 1.00 33.10 ATOM 719 HB1 LEU 42 15.047 -9.242 -11.347 1.00 38.81 ATOM 720 HB2 LEU 42 16.662 -9.791 -10.935 1.00 75.30 ATOM 721 CG LEU 42 16.555 -7.737 -11.522 1.00 42.24 ATOM 722 HG LEU 42 17.505 -7.503 -11.065 1.00 74.41 ATOM 723 CD1 LEU 42 16.813 -8.020 -12.997 1.00 11.43 ATOM 724 HD11 LEU 42 17.230 -7.139 -13.466 1.00 42.41 ATOM 725 HD12 LEU 42 15.885 -8.281 -13.484 1.00 63.05 ATOM 726 HD13 LEU 42 17.511 -8.839 -13.089 1.00 3.12 ATOM 727 CD2 LEU 42 15.641 -6.523 -11.355 1.00 31.41 ATOM 728 HD21 LEU 42 15.524 -6.301 -10.304 1.00 32.33 ATOM 729 HD22 LEU 42 14.674 -6.735 -11.788 1.00 35.15 ATOM 730 HD23 LEU 42 16.079 -5.670 -11.855 1.00 61.22 ATOM 731 C LEU 42 14.775 -9.981 -8.847 1.00 74.42 ATOM 732 O LEU 42 13.573 -9.824 -8.639 1.00 74.12 ATOM 733 N GLU 43 15.383 -11.153 -8.646 1.00 15.14 ATOM 734 HN GLU 43 16.340 -11.241 -8.855 1.00 38.81 ATOM 735 CA GLU 43 14.642 -12.311 -8.117 1.00 45.23 ATOM 736 HA GLU 43 13.844 -12.527 -8.814 1.00 51.22 ATOM 737 CB GLU 43 15.541 -13.552 -7.999 1.00 62.24 ATOM 738 HB1 GLU 43 14.962 -14.360 -7.571 1.00 38.81 ATOM 739 HB2 GLU 43 16.364 -13.324 -7.334 1.00 43.13 ATOM 740 CG GLU 43 16.117 -14.027 -9.330 1.00 63.43 ATOM 741 HG1 GLU 43 16.946 -13.386 -9.597 1.00 38.81 ATOM 742 HG2 GLU 43 15.349 -13.946 -10.087 1.00 50.13 ATOM 743 CD GLU 43 16.608 -15.467 -9.288 1.00 64.54 ATOM 744 OE1 GLU 43 17.641 -15.735 -8.648 1.00 10.52 ATOM 745 OE2 GLU 43 15.960 -16.338 -9.905 1.00 23.13 ATOM 746 C GLU 43 14.019 -11.992 -6.752 1.00 23.53 ATOM 747 O GLU 43 12.906 -12.420 -6.447 1.00 25.20 ATOM 748 N GLU 44 14.744 -11.221 -5.950 1.00 33.11 ATOM 749 HN GLU 44 15.632 -10.933 -6.248 1.00 38.81 ATOM 750 CA GLU 44 14.265 -10.786 -4.635 1.00 62.31 ATOM 751 HA GLU 44 14.005 -11.669 -4.066 1.00 22.33 ATOM 752 CB GLU 44 15.399 -10.039 -3.909 1.00 43.35 ATOM 753 HB1 GLU 44 15.593 -9.111 -4.432 1.00 38.81 ATOM 754 HB2 GLU 44 16.291 -10.648 -3.947 1.00 63.22 ATOM 755 CG GLU 44 15.116 -9.710 -2.447 1.00 12.23 ATOM 756 HG1 GLU 44 14.839 -10.620 -1.933 1.00 38.81 ATOM 757 HG2 GLU 44 14.294 -9.009 -2.401 1.00 65.42 ATOM 758 CD GLU 44 16.325 -9.101 -1.743 1.00 63.34 ATOM 759 OE1 GLU 44 16.277 -7.908 -1.376 1.00 70.45 ATOM 760 OE2 GLU 44 17.336 -9.822 -1.558 1.00 60.03 ATOM 761 C GLU 44 13.012 -9.895 -4.770 1.00 63.44 ATOM 762 O GLU 44 12.099 -9.952 -3.943 1.00 22.24 ATOM 763 N PHE 45 12.968 -9.092 -5.835 1.00 15.02 ATOM 764 HN PHE 45 13.735 -9.076 -6.447 1.00 38.81 ATOM 765 CA PHE 45 11.816 -8.219 -6.106 1.00 41.50 ATOM 766 HA PHE 45 11.463 -7.839 -5.156 1.00 53.13 ATOM 767 CB PHE 45 12.237 -7.032 -6.980 1.00 71.23 ATOM 768 HB1 PHE 45 11.381 -6.390 -7.142 1.00 38.81 ATOM 769 HB2 PHE 45 12.586 -7.403 -7.934 1.00 32.02 ATOM 770 CG PHE 45 13.335 -6.192 -6.376 1.00 34.44 ATOM 771 CD1 PHE 45 14.357 -5.692 -7.167 1.00 34.11 ATOM 772 HD1 PHE 45 14.362 -5.906 -8.227 1.00 55.04 ATOM 773 CD2 PHE 45 13.346 -5.906 -5.016 1.00 51.13 ATOM 774 HD2 PHE 45 12.556 -6.290 -4.386 1.00 75.11 ATOM 775 CE1 PHE 45 15.363 -4.925 -6.617 1.00 15.33 ATOM 776 HE1 PHE 45 16.153 -4.542 -7.246 1.00 11.24 ATOM 777 CE2 PHE 45 14.352 -5.139 -4.463 1.00 42.34 ATOM 778 HE2 PHE 45 14.349 -4.923 -3.406 1.00 52.31 ATOM 779 CZ PHE 45 15.362 -4.648 -5.265 1.00 51.45 ATOM 780 HZ PHE 45 16.150 -4.047 -4.836 1.00 51.34 ATOM 781 C PHE 45 10.660 -8.978 -6.785 1.00 21.53 ATOM 782 O PHE 45 9.491 -8.634 -6.591 1.00 43.41 ATOM 783 N ARG 46 10.989 -10.010 -7.576 1.00 71.43 ATOM 784 HN ARG 46 11.938 -10.227 -7.698 1.00 38.81 ATOM 785 CA ARG 46 9.971 -10.825 -8.271 1.00 63.12 ATOM 786 HA ARG 46 9.491 -10.188 -9.001 1.00 31.12 ATOM 787 CB ARG 46 10.625 -12.010 -9.004 1.00 30.31 ATOM 788 HB1 ARG 46 9.849 -12.677 -9.356 1.00 38.81 ATOM 789 HB2 ARG 46 11.255 -12.546 -8.307 1.00 52.22 ATOM 790 CG ARG 46 11.480 -11.604 -10.201 1.00 25.32 ATOM 791 HG1 ARG 46 12.252 -10.925 -9.866 1.00 38.81 ATOM 792 HG2 ARG 46 10.853 -11.103 -10.926 1.00 13.51 ATOM 793 CD ARG 46 12.136 -12.809 -10.868 1.00 42.33 ATOM 794 HD1 ARG 46 12.774 -13.298 -10.145 1.00 38.81 ATOM 795 HD2 ARG 46 12.737 -12.463 -11.696 1.00 50.41 ATOM 796 NE ARG 46 11.157 -13.773 -11.366 1.00 13.14 ATOM 797 HE ARG 46 10.220 -13.491 -11.397 1.00 1.53 ATOM 798 CZ ARG 46 11.453 -14.977 -11.780 1.00 64.22 ATOM 799 NH1 ARG 46 12.677 -15.406 -11.764 1.00 62.44 ATOM 800 HH11 ARG 46 13.406 -14.820 -11.432 1.00 33.45 ATOM 801 HH12 ARG 46 12.885 -16.327 -12.094 1.00 64.22 ATOM 802 NH2 ARG 46 10.518 -15.753 -12.207 1.00 23.41 ATOM 803 HH21 ARG 46 9.575 -15.430 -12.223 1.00 22.52 ATOM 804 HH22 ARG 46 10.740 -16.674 -12.520 1.00 32.25 ATOM 805 C ARG 46 8.896 -11.342 -7.301 1.00 21.43 ATOM 806 O ARG 46 7.750 -11.569 -7.694 1.00 33.11 ATOM 807 N LYS 47 9.274 -11.515 -6.035 1.00 72.15 ATOM 808 HN LYS 47 10.216 -11.379 -5.802 1.00 38.81 ATOM 809 CA LYS 47 8.333 -11.915 -4.983 1.00 24.45 ATOM 810 HA LYS 47 8.033 -12.934 -5.183 1.00 21.33 ATOM 811 CB LYS 47 9.034 -11.863 -3.619 1.00 31.30 ATOM 812 HB1 LYS 47 8.290 -11.958 -2.839 1.00 38.81 ATOM 813 HB2 LYS 47 9.526 -10.906 -3.518 1.00 4.43 ATOM 814 CG LYS 47 10.079 -12.960 -3.418 1.00 45.14 ATOM 815 HG1 LYS 47 10.768 -12.942 -4.252 1.00 38.81 ATOM 816 HG2 LYS 47 9.580 -13.918 -3.387 1.00 62.11 ATOM 817 CD LYS 47 10.868 -12.773 -2.121 1.00 73.54 ATOM 818 HD1 LYS 47 11.516 -11.914 -2.229 1.00 38.81 ATOM 819 HD2 LYS 47 11.469 -13.654 -1.950 1.00 31.32 ATOM 820 CE LYS 47 9.956 -12.558 -0.914 1.00 74.42 ATOM 821 HE1 LYS 47 9.418 -11.629 -1.045 1.00 38.81 ATOM 822 HE2 LYS 47 10.568 -12.491 -0.026 1.00 31.23 ATOM 823 NZ LYS 47 8.974 -13.662 -0.732 1.00 15.40 ATOM 824 HZ1 LYS 47 8.368 -13.748 -1.571 1.00 75.33 ATOM 825 HZ2 LYS 47 8.371 -13.472 0.097 1.00 70.04 ATOM 826 HZ3 LYS 47 9.470 -14.564 -0.580 1.00 54.14 ATOM 827 C LYS 47 7.074 -11.027 -4.964 1.00 65.35 ATOM 828 O LYS 47 5.954 -11.526 -4.828 1.00 63.41 ATOM 829 N GLU 48 7.260 -9.715 -5.123 1.00 43.45 ATOM 830 HN GLU 48 8.172 -9.379 -5.265 1.00 38.81 ATOM 831 CA GLU 48 6.142 -8.759 -5.099 1.00 40.12 ATOM 832 HA GLU 48 5.228 -9.331 -5.015 1.00 62.55 ATOM 833 CB GLU 48 6.247 -7.829 -3.873 1.00 62.34 ATOM 834 HB1 GLU 48 5.913 -6.838 -4.150 1.00 38.81 ATOM 835 HB2 GLU 48 7.282 -7.772 -3.565 1.00 24.35 ATOM 836 CG GLU 48 5.418 -8.290 -2.678 1.00 75.05 ATOM 837 HG1 GLU 48 5.514 -7.559 -1.886 1.00 38.81 ATOM 838 HG2 GLU 48 5.800 -9.241 -2.334 1.00 64.54 ATOM 839 CD GLU 48 3.941 -8.445 -3.022 1.00 2.22 ATOM 840 OE1 GLU 48 3.233 -7.417 -3.116 1.00 55.41 ATOM 841 OE2 GLU 48 3.484 -9.595 -3.201 1.00 4.40 ATOM 842 C GLU 48 6.050 -7.927 -6.387 1.00 51.40 ATOM 843 O GLU 48 5.722 -6.739 -6.340 1.00 44.24 ATOM 844 N SER 49 6.281 -8.561 -7.540 1.00 72.43 ATOM 845 HN SER 49 6.574 -9.499 -7.519 1.00 38.81 ATOM 846 CA SER 49 6.109 -7.882 -8.843 1.00 53.12 ATOM 847 HA SER 49 6.800 -7.053 -8.876 1.00 15.25 ATOM 848 CB SER 49 6.423 -8.836 -10.007 1.00 64.00 ATOM 849 HB1 SER 49 5.739 -9.674 -9.980 1.00 38.81 ATOM 850 HB2 SER 49 7.433 -9.199 -9.912 1.00 30.23 ATOM 851 OG SER 49 6.299 -8.180 -11.263 1.00 62.41 ATOM 852 HG SER 49 6.796 -8.670 -11.934 1.00 24.13 ATOM 853 C SER 49 4.678 -7.332 -8.990 1.00 61.54 ATOM 854 O SER 49 4.393 -6.499 -9.854 1.00 12.30 ATOM 855 N GLN 50 3.790 -7.809 -8.123 1.00 21.21 ATOM 856 HN GLN 50 4.080 -8.502 -7.495 1.00 38.81 ATOM 857 CA GLN 50 2.398 -7.356 -8.071 1.00 53.12 ATOM 858 HA GLN 50 1.927 -7.608 -9.010 1.00 34.31 ATOM 859 CB GLN 50 1.667 -8.081 -6.932 1.00 41.20 ATOM 860 HB1 GLN 50 0.605 -7.910 -7.033 1.00 38.81 ATOM 861 HB2 GLN 50 1.999 -7.671 -5.988 1.00 21.25 ATOM 862 CG GLN 50 1.906 -9.584 -6.901 1.00 14.13 ATOM 863 HG1 GLN 50 1.437 -9.987 -6.016 1.00 38.81 ATOM 864 HG2 GLN 50 2.971 -9.763 -6.850 1.00 65.33 ATOM 865 CD GLN 50 1.351 -10.307 -8.117 1.00 73.02 ATOM 866 OE1 GLN 50 0.335 -9.918 -8.681 1.00 64.44 ATOM 867 NE2 GLN 50 2.025 -11.353 -8.540 1.00 63.22 ATOM 868 HE21 GLN 50 2.841 -11.605 -8.057 1.00 25.32 ATOM 869 HE22 GLN 50 1.684 -11.835 -9.320 1.00 33.32 ATOM 870 C GLN 50 2.296 -5.837 -7.847 1.00 21.52 ATOM 871 O GLN 50 1.667 -5.124 -8.629 1.00 61.12 ATOM 872 N ASN 51 2.928 -5.347 -6.776 1.00 32.35 ATOM 873 HN ASN 51 3.515 -5.939 -6.258 1.00 38.81 ATOM 874 CA ASN 51 2.768 -3.947 -6.353 1.00 22.42 ATOM 875 HA ASN 51 2.141 -3.444 -7.076 1.00 13.41 ATOM 876 CB ASN 51 2.078 -3.897 -4.982 1.00 3.35 ATOM 877 HB1 ASN 51 1.827 -2.870 -4.753 1.00 38.81 ATOM 878 HB2 ASN 51 2.761 -4.266 -4.231 1.00 0.34 ATOM 879 CG ASN 51 0.810 -4.726 -4.920 1.00 35.14 ATOM 880 OD1 ASN 51 -0.271 -4.253 -5.252 1.00 32.21 ATOM 881 ND2 ASN 51 0.921 -5.957 -4.458 1.00 13.30 ATOM 882 HD21 ASN 51 1.808 -6.274 -4.176 1.00 41.45 ATOM 883 HD22 ASN 51 0.114 -6.507 -4.419 1.00 33.43 ATOM 884 C ASN 51 4.110 -3.197 -6.258 1.00 13.42 ATOM 885 O ASN 51 4.179 -2.125 -5.652 1.00 14.30 ATOM 886 N ILE 52 5.175 -3.739 -6.848 1.00 71.51 ATOM 887 HN ILE 52 5.072 -4.561 -7.372 1.00 38.81 ATOM 888 CA ILE 52 6.504 -3.123 -6.709 1.00 62.25 ATOM 889 HA ILE 52 6.465 -2.471 -5.846 1.00 75.34 ATOM 890 CB ILE 52 7.606 -4.186 -6.441 1.00 3.23 ATOM 891 HB ILE 52 7.236 -4.869 -5.689 1.00 53.50 ATOM 892 CG1 ILE 52 8.888 -3.513 -5.918 1.00 13.52 ATOM 893 HG11 ILE 52 8.641 -2.892 -5.069 1.00 38.81 ATOM 894 HG12 ILE 52 9.308 -2.894 -6.698 1.00 13.43 ATOM 895 CG2 ILE 52 7.905 -4.994 -7.705 1.00 71.40 ATOM 896 HG21 ILE 52 8.325 -4.344 -8.459 1.00 54.41 ATOM 897 HG22 ILE 52 6.990 -5.429 -8.079 1.00 52.21 ATOM 898 HG23 ILE 52 8.608 -5.780 -7.474 1.00 25.11 ATOM 899 CD1 ILE 52 9.959 -4.492 -5.481 1.00 13.52 ATOM 900 HD11 ILE 52 10.818 -3.947 -5.116 1.00 34.01 ATOM 901 HD12 ILE 52 10.252 -5.106 -6.320 1.00 74.11 ATOM 902 HD13 ILE 52 9.571 -5.121 -4.691 1.00 12.12 ATOM 903 C ILE 52 6.898 -2.265 -7.929 1.00 2.14 ATOM 904 O ILE 52 6.596 -2.594 -9.079 1.00 31.31 ATOM 905 N LYS 53 7.557 -1.145 -7.655 1.00 22.24 ATOM 906 HN LYS 53 7.670 -0.887 -6.715 1.00 38.81 ATOM 907 CA LYS 53 8.119 -0.272 -8.692 1.00 64.12 ATOM 908 HA LYS 53 8.035 -0.771 -9.648 1.00 34.42 ATOM 909 CB LYS 53 7.353 1.061 -8.738 1.00 61.53 ATOM 910 HB1 LYS 53 7.735 1.651 -9.559 1.00 38.81 ATOM 911 HB2 LYS 53 7.539 1.596 -7.816 1.00 62.14 ATOM 912 CG LYS 53 5.833 0.929 -8.908 1.00 54.11 ATOM 913 HG1 LYS 53 5.351 1.679 -8.293 1.00 38.81 ATOM 914 HG2 LYS 53 5.532 -0.052 -8.567 1.00 71.22 ATOM 915 CD LYS 53 5.367 1.102 -10.361 1.00 35.42 ATOM 916 HD1 LYS 53 6.141 1.612 -10.921 1.00 38.81 ATOM 917 HD2 LYS 53 4.472 1.707 -10.366 1.00 34.43 ATOM 918 CE LYS 53 5.054 -0.227 -11.048 1.00 0.24 ATOM 919 HE1 LYS 53 4.639 -0.021 -12.025 1.00 38.81 ATOM 920 HE2 LYS 53 4.320 -0.756 -10.457 1.00 43.14 ATOM 921 NZ LYS 53 6.255 -1.091 -11.206 1.00 60.25 ATOM 922 HZ1 LYS 53 6.648 -1.333 -10.277 1.00 53.11 ATOM 923 HZ2 LYS 53 6.984 -0.598 -11.763 1.00 3.31 ATOM 924 HZ3 LYS 53 5.994 -1.971 -11.697 1.00 51.43 ATOM 925 C LYS 53 9.600 -0.008 -8.383 1.00 64.33 ATOM 926 O LYS 53 9.931 0.461 -7.296 1.00 61.41 ATOM 927 N VAL 54 10.491 -0.315 -9.323 1.00 33.33 ATOM 928 HN VAL 54 10.179 -0.623 -10.202 1.00 38.81 ATOM 929 CA VAL 54 11.934 -0.200 -9.068 1.00 11.11 ATOM 930 HA VAL 54 12.067 0.068 -8.027 1.00 74.24 ATOM 931 CB VAL 54 12.653 -1.553 -9.303 1.00 12.24 ATOM 932 HB VAL 54 12.549 -1.811 -10.346 1.00 65.53 ATOM 933 CG1 VAL 54 14.146 -1.442 -8.990 1.00 72.21 ATOM 934 HG11 VAL 54 14.596 -0.697 -9.630 1.00 44.34 ATOM 935 HG12 VAL 54 14.625 -2.396 -9.162 1.00 30.42 ATOM 936 HG13 VAL 54 14.280 -1.155 -7.956 1.00 23.12 ATOM 937 CG2 VAL 54 12.006 -2.661 -8.472 1.00 32.32 ATOM 938 HG21 VAL 54 10.958 -2.736 -8.725 1.00 34.31 ATOM 939 HG22 VAL 54 12.106 -2.431 -7.420 1.00 0.13 ATOM 940 HG23 VAL 54 12.494 -3.602 -8.681 1.00 44.31 ATOM 941 C VAL 54 12.602 0.880 -9.936 1.00 20.22 ATOM 942 O VAL 54 12.534 0.843 -11.164 1.00 74.34 ATOM 943 N LEU 55 13.245 1.843 -9.280 1.00 53.41 ATOM 944 HN LEU 55 13.180 1.869 -8.301 1.00 38.81 ATOM 945 CA LEU 55 14.040 2.872 -9.966 1.00 72.14 ATOM 946 HA LEU 55 13.674 2.965 -10.980 1.00 1.31 ATOM 947 CB LEU 55 13.882 4.221 -9.245 1.00 45.51 ATOM 948 HB1 LEU 55 14.231 4.103 -8.228 1.00 38.81 ATOM 949 HB2 LEU 55 12.829 4.465 -9.215 1.00 1.40 ATOM 950 CG LEU 55 14.637 5.406 -9.876 1.00 52.34 ATOM 951 HG LEU 55 15.672 5.127 -10.010 1.00 33.42 ATOM 952 CD1 LEU 55 14.069 5.752 -11.252 1.00 52.40 ATOM 953 HD11 LEU 55 14.599 6.601 -11.659 1.00 75.15 ATOM 954 HD12 LEU 55 13.019 5.993 -11.163 1.00 13.14 ATOM 955 HD13 LEU 55 14.189 4.907 -11.914 1.00 43.25 ATOM 956 CD2 LEU 55 14.598 6.620 -8.952 1.00 50.24 ATOM 957 HD21 LEU 55 13.573 6.918 -8.790 1.00 51.31 ATOM 958 HD22 LEU 55 15.142 7.437 -9.404 1.00 52.10 ATOM 959 HD23 LEU 55 15.053 6.368 -8.004 1.00 61.31 ATOM 960 C LEU 55 15.525 2.467 -9.999 1.00 13.10 ATOM 961 O LEU 55 16.159 2.332 -8.955 1.00 14.24 ATOM 962 N ILE 56 16.079 2.270 -11.193 1.00 52.13 ATOM 963 HN ILE 56 15.550 2.439 -11.999 1.00 38.81 ATOM 964 CA ILE 56 17.473 1.824 -11.330 1.00 75.12 ATOM 965 HA ILE 56 17.808 1.470 -10.363 1.00 5.31 ATOM 966 CB ILE 56 17.593 0.650 -12.339 1.00 42.41 ATOM 967 HB ILE 56 17.281 1.009 -13.310 1.00 45.14 ATOM 968 CG1 ILE 56 16.675 -0.513 -11.920 1.00 10.20 ATOM 969 HG11 ILE 56 15.651 -0.163 -11.892 1.00 38.81 ATOM 970 HG12 ILE 56 16.957 -0.852 -10.933 1.00 10.43 ATOM 971 CG2 ILE 56 19.046 0.180 -12.454 1.00 33.43 ATOM 972 HG21 ILE 56 19.396 -0.155 -11.488 1.00 74.22 ATOM 973 HG22 ILE 56 19.664 0.998 -12.796 1.00 2.21 ATOM 974 HG23 ILE 56 19.109 -0.635 -13.161 1.00 12.42 ATOM 975 CD1 ILE 56 16.731 -1.708 -12.851 1.00 13.31 ATOM 976 HD11 ILE 56 17.739 -2.092 -12.885 1.00 22.11 ATOM 977 HD12 ILE 56 16.427 -1.407 -13.842 1.00 31.22 ATOM 978 HD13 ILE 56 16.065 -2.477 -12.490 1.00 25.43 ATOM 979 C ILE 56 18.392 2.969 -11.782 1.00 30.45 ATOM 980 O ILE 56 18.241 3.499 -12.883 1.00 53.25 ATOM 981 N LEU 57 19.345 3.341 -10.930 1.00 64.43 ATOM 982 HN LEU 57 19.407 2.889 -10.064 1.00 38.81 ATOM 983 CA LEU 57 20.313 4.396 -11.252 1.00 50.02 ATOM 984 HA LEU 57 19.929 4.952 -12.097 1.00 63.42 ATOM 985 CB LEU 57 20.495 5.360 -10.063 1.00 24.12 ATOM 986 HB1 LEU 57 21.303 6.038 -10.301 1.00 38.81 ATOM 987 HB2 LEU 57 20.787 4.779 -9.198 1.00 71.51 ATOM 988 CG LEU 57 19.264 6.205 -9.680 1.00 32.41 ATOM 989 HG LEU 57 19.568 6.948 -8.956 1.00 31.23 ATOM 990 CD1 LEU 57 18.714 6.953 -10.893 1.00 31.14 ATOM 991 HD11 LEU 57 17.880 7.568 -10.590 1.00 51.52 ATOM 992 HD12 LEU 57 18.384 6.243 -11.638 1.00 42.03 ATOM 993 HD13 LEU 57 19.488 7.580 -11.312 1.00 42.24 ATOM 994 CD2 LEU 57 18.184 5.344 -9.031 1.00 61.21 ATOM 995 HD21 LEU 57 17.841 4.601 -9.737 1.00 50.21 ATOM 996 HD22 LEU 57 17.354 5.968 -8.734 1.00 34.32 ATOM 997 HD23 LEU 57 18.591 4.850 -8.161 1.00 75.52 ATOM 998 C LEU 57 21.668 3.787 -11.638 1.00 52.53 ATOM 999 O LEU 57 22.335 3.156 -10.816 1.00 20.34 ATOM 1000 N VAL 58 22.074 3.989 -12.887 1.00 11.32 ATOM 1001 HN VAL 58 21.532 4.557 -13.476 1.00 38.81 ATOM 1002 CA VAL 58 23.307 3.391 -13.411 1.00 51.01 ATOM 1003 HA VAL 58 23.693 2.708 -12.664 1.00 4.42 ATOM 1004 CB VAL 58 23.022 2.580 -14.698 1.00 55.24 ATOM 1005 HB VAL 58 23.956 2.170 -15.059 1.00 20.12 ATOM 1006 CG1 VAL 58 22.075 1.418 -14.404 1.00 60.44 ATOM 1007 HG11 VAL 58 21.131 1.802 -14.045 1.00 33.12 ATOM 1008 HG12 VAL 58 22.512 0.780 -13.651 1.00 2.32 ATOM 1009 HG13 VAL 58 21.911 0.845 -15.307 1.00 52.03 ATOM 1010 CG2 VAL 58 22.442 3.479 -15.786 1.00 11.33 ATOM 1011 HG21 VAL 58 22.265 2.898 -16.678 1.00 42.14 ATOM 1012 HG22 VAL 58 23.138 4.274 -16.009 1.00 2.25 ATOM 1013 HG23 VAL 58 21.507 3.904 -15.445 1.00 11.14 ATOM 1014 C VAL 58 24.381 4.450 -13.706 1.00 64.43 ATOM 1015 O VAL 58 24.076 5.553 -14.157 1.00 63.54 ATOM 1016 N SER 59 25.640 4.103 -13.450 1.00 62.50 ATOM 1017 HN SER 59 25.817 3.222 -13.060 1.00 38.81 ATOM 1018 CA SER 59 26.766 5.018 -13.699 1.00 42.30 ATOM 1019 HA SER 59 26.459 6.007 -13.388 1.00 72.42 ATOM 1020 CB SER 59 27.987 4.600 -12.862 1.00 34.03 ATOM 1021 HB1 SER 59 28.239 3.573 -13.089 1.00 38.81 ATOM 1022 HB2 SER 59 27.746 4.685 -11.813 1.00 23.22 ATOM 1023 OG SER 59 29.119 5.417 -13.134 1.00 12.25 ATOM 1024 HG SER 59 28.828 6.258 -13.509 1.00 51.00 ATOM 1025 C SER 59 27.160 5.074 -15.186 1.00 24.23 ATOM 1026 O SER 59 27.750 6.056 -15.638 1.00 2.43 ATOM 1027 N ASN 60 26.840 4.024 -15.946 1.00 53.03 ATOM 1028 HN ASN 60 26.307 3.303 -15.557 1.00 38.81 ATOM 1029 CA ASN 60 27.251 3.934 -17.359 1.00 4.54 ATOM 1030 HA ASN 60 27.522 4.927 -17.691 1.00 14.54 ATOM 1031 CB ASN 60 28.473 3.017 -17.501 1.00 71.34 ATOM 1032 HB1 ASN 60 28.798 3.021 -18.532 1.00 38.81 ATOM 1033 HB2 ASN 60 28.195 2.010 -17.223 1.00 51.41 ATOM 1034 CG ASN 60 29.636 3.452 -16.631 1.00 32.43 ATOM 1035 OD1 ASN 60 30.432 4.299 -17.013 1.00 41.14 ATOM 1036 ND2 ASN 60 29.754 2.860 -15.460 1.00 43.25 ATOM 1037 HD21 ASN 60 29.099 2.180 -15.216 1.00 54.13 ATOM 1038 HD22 ASN 60 30.500 3.130 -14.883 1.00 14.11 ATOM 1039 C ASN 60 26.118 3.412 -18.259 1.00 72.13 ATOM 1040 O ASN 60 25.182 2.763 -17.786 1.00 40.24 ATOM 1041 N ASP 61 26.224 3.684 -19.563 1.00 71.52 ATOM 1042 HN ASP 61 26.993 4.213 -19.878 1.00 38.81 ATOM 1043 CA ASP 61 25.226 3.228 -20.542 1.00 4.14 ATOM 1044 HA ASP 61 24.258 3.568 -20.202 1.00 42.23 ATOM 1045 CB ASP 61 25.507 3.843 -21.914 1.00 31.12 ATOM 1046 HB1 ASP 61 24.804 3.446 -22.632 1.00 38.81 ATOM 1047 HB2 ASP 61 26.510 3.580 -22.221 1.00 24.31 ATOM 1048 CG ASP 61 25.387 5.353 -21.908 1.00 24.45 ATOM 1049 OD1 ASP 61 24.254 5.862 -22.017 1.00 4.42 ATOM 1050 OD2 ASP 61 26.425 6.041 -21.794 1.00 71.53 ATOM 1051 C ASP 61 25.191 1.694 -20.657 1.00 34.43 ATOM 1052 O ASP 61 24.127 1.102 -20.850 1.00 74.23 ATOM 1053 N GLU 62 26.357 1.058 -20.556 1.00 10.13 ATOM 1054 HN GLU 62 27.183 1.586 -20.512 1.00 38.81 ATOM 1055 CA GLU 62 26.443 -0.410 -20.537 1.00 61.23 ATOM 1056 HA GLU 62 26.072 -0.781 -21.484 1.00 64.43 ATOM 1057 CB GLU 62 27.907 -0.842 -20.361 1.00 74.30 ATOM 1058 HB1 GLU 62 28.270 -0.454 -19.419 1.00 38.81 ATOM 1059 HB2 GLU 62 28.492 -0.411 -21.161 1.00 11.23 ATOM 1060 CG GLU 62 28.132 -2.355 -20.372 1.00 65.24 ATOM 1061 HG1 GLU 62 27.474 -2.806 -19.641 1.00 38.81 ATOM 1062 HG2 GLU 62 29.158 -2.552 -20.094 1.00 52.55 ATOM 1063 CD GLU 62 27.872 -2.996 -21.728 1.00 22.15 ATOM 1064 OE1 GLU 62 27.316 -4.113 -21.771 1.00 55.42 ATOM 1065 OE2 GLU 62 28.242 -2.394 -22.759 1.00 74.01 ATOM 1066 C GLU 62 25.580 -0.987 -19.401 1.00 42.31 ATOM 1067 O GLU 62 24.775 -1.900 -19.611 1.00 52.23 ATOM 1068 N GLU 63 25.743 -0.427 -18.200 1.00 41.32 ATOM 1069 HN GLU 63 26.423 0.267 -18.094 1.00 38.81 ATOM 1070 CA GLU 63 24.941 -0.825 -17.036 1.00 21.20 ATOM 1071 HA GLU 63 25.086 -1.885 -16.876 1.00 12.33 ATOM 1072 CB GLU 63 25.403 -0.060 -15.786 1.00 63.13 ATOM 1073 HB1 GLU 63 24.858 -0.432 -14.929 1.00 38.81 ATOM 1074 HB2 GLU 63 25.171 0.989 -15.915 1.00 3.13 ATOM 1075 CG GLU 63 26.896 -0.182 -15.492 1.00 41.23 ATOM 1076 HG1 GLU 63 27.116 0.361 -14.582 1.00 38.81 ATOM 1077 HG2 GLU 63 27.447 0.261 -16.310 1.00 54.00 ATOM 1078 CD GLU 63 27.353 -1.624 -15.319 1.00 53.43 ATOM 1079 OE1 GLU 63 26.980 -2.251 -14.307 1.00 40.14 ATOM 1080 OE2 GLU 63 28.094 -2.132 -16.190 1.00 12.23 ATOM 1081 C GLU 63 23.446 -0.559 -17.284 1.00 74.23 ATOM 1082 O GLU 63 22.590 -1.354 -16.899 1.00 30.54 ATOM 1083 N LEU 64 23.152 0.573 -17.929 1.00 72.21 ATOM 1084 HN LEU 64 23.883 1.180 -18.170 1.00 38.81 ATOM 1085 CA LEU 64 21.775 0.943 -18.295 1.00 12.22 ATOM 1086 HA LEU 64 21.214 1.099 -17.384 1.00 11.53 ATOM 1087 CB LEU 64 21.788 2.247 -19.110 1.00 25.43 ATOM 1088 HB1 LEU 64 22.304 2.057 -20.041 1.00 38.81 ATOM 1089 HB2 LEU 64 22.352 2.984 -18.555 1.00 4.44 ATOM 1090 CG LEU 64 20.408 2.844 -19.439 1.00 53.13 ATOM 1091 HG LEU 64 19.768 2.060 -19.823 1.00 11.11 ATOM 1092 CD1 LEU 64 19.747 3.406 -18.184 1.00 22.33 ATOM 1093 HD11 LEU 64 20.361 4.197 -17.773 1.00 52.35 ATOM 1094 HD12 LEU 64 19.640 2.619 -17.453 1.00 2.33 ATOM 1095 HD13 LEU 64 18.772 3.800 -18.434 1.00 41.03 ATOM 1096 CD2 LEU 64 20.532 3.919 -20.515 1.00 2.23 ATOM 1097 HD21 LEU 64 20.942 3.482 -21.415 1.00 51.31 ATOM 1098 HD22 LEU 64 21.185 4.706 -20.166 1.00 22.25 ATOM 1099 HD23 LEU 64 19.555 4.331 -20.730 1.00 70.23 ATOM 1100 C LEU 64 21.107 -0.167 -19.117 1.00 53.53 ATOM 1101 O LEU 64 19.986 -0.595 -18.825 1.00 41.52 ATOM 1102 N ASP 65 21.814 -0.623 -20.146 1.00 40.51 ATOM 1103 HN ASP 65 22.693 -0.222 -20.331 1.00 38.81 ATOM 1104 CA ASP 65 21.332 -1.694 -21.014 1.00 2.14 ATOM 1105 HA ASP 65 20.376 -1.381 -21.409 1.00 24.55 ATOM 1106 CB ASP 65 22.301 -1.894 -22.187 1.00 50.53 ATOM 1107 HB1 ASP 65 22.155 -2.877 -22.609 1.00 38.81 ATOM 1108 HB2 ASP 65 23.316 -1.812 -21.825 1.00 74.21 ATOM 1109 CG ASP 65 22.101 -0.865 -23.287 1.00 53.13 ATOM 1110 OD1 ASP 65 22.660 -1.047 -24.383 1.00 55.04 ATOM 1111 OD2 ASP 65 21.357 0.115 -23.068 1.00 11.22 ATOM 1112 C ASP 65 21.125 -3.007 -20.251 1.00 2.25 ATOM 1113 O ASP 65 20.019 -3.546 -20.230 1.00 33.31 ATOM 1114 N LYS 66 22.180 -3.507 -19.617 1.00 54.22 ATOM 1115 HN LYS 66 23.029 -3.012 -19.635 1.00 38.81 ATOM 1116 CA LYS 66 22.108 -4.782 -18.895 1.00 22.13 ATOM 1117 HA LYS 66 21.872 -5.549 -19.619 1.00 24.10 ATOM 1118 CB LYS 66 23.464 -5.113 -18.253 1.00 52.32 ATOM 1119 HB1 LYS 66 23.369 -6.032 -17.692 1.00 38.81 ATOM 1120 HB2 LYS 66 23.730 -4.316 -17.574 1.00 62.12 ATOM 1121 CG LYS 66 24.603 -5.283 -19.259 1.00 21.12 ATOM 1122 HG1 LYS 66 25.501 -5.560 -18.724 1.00 38.81 ATOM 1123 HG2 LYS 66 24.766 -4.342 -19.766 1.00 30.53 ATOM 1124 CD LYS 66 24.297 -6.359 -20.303 1.00 21.33 ATOM 1125 HD1 LYS 66 25.145 -6.454 -20.966 1.00 38.81 ATOM 1126 HD2 LYS 66 23.430 -6.057 -20.872 1.00 43.45 ATOM 1127 CE LYS 66 24.014 -7.717 -19.664 1.00 63.03 ATOM 1128 HE1 LYS 66 23.138 -7.632 -19.037 1.00 38.81 ATOM 1129 HE2 LYS 66 24.861 -8.000 -19.057 1.00 41.20 ATOM 1130 NZ LYS 66 23.779 -8.776 -20.681 1.00 42.33 ATOM 1131 HZ1 LYS 66 23.012 -8.493 -21.324 1.00 34.25 ATOM 1132 HZ2 LYS 66 23.512 -9.667 -20.214 1.00 72.11 ATOM 1133 HZ3 LYS 66 24.642 -8.939 -21.236 1.00 14.12 ATOM 1134 C LYS 66 21.003 -4.771 -17.824 1.00 62.13 ATOM 1135 O LYS 66 20.236 -5.727 -17.704 1.00 2.35 ATOM 1136 N ALA 67 20.913 -3.677 -17.069 1.00 43.20 ATOM 1137 HN ALA 67 21.542 -2.940 -17.224 1.00 38.81 ATOM 1138 CA ALA 67 19.903 -3.542 -16.013 1.00 1.05 ATOM 1139 HA ALA 67 20.062 -4.343 -15.302 1.00 33.25 ATOM 1140 CB ALA 67 20.090 -2.219 -15.275 1.00 30.25 ATOM 1141 HB1 ALA 67 21.096 -2.163 -14.884 1.00 32.35 ATOM 1142 HB2 ALA 67 19.385 -2.154 -14.458 1.00 3.22 ATOM 1143 HB3 ALA 67 19.925 -1.398 -15.958 1.00 75.31 ATOM 1144 C ALA 67 18.471 -3.652 -16.564 1.00 2.33 ATOM 1145 O ALA 67 17.649 -4.411 -16.042 1.00 45.14 ATOM 1146 N LYS 68 18.173 -2.904 -17.628 1.00 11.11 ATOM 1147 HN LYS 68 18.874 -2.348 -18.036 1.00 38.81 ATOM 1148 CA LYS 68 16.818 -2.896 -18.193 1.00 40.13 ATOM 1149 HA LYS 68 16.131 -2.812 -17.362 1.00 0.25 ATOM 1150 CB LYS 68 16.606 -1.680 -19.116 1.00 22.23 ATOM 1151 HB1 LYS 68 16.977 -0.799 -18.609 1.00 38.81 ATOM 1152 HB2 LYS 68 15.546 -1.558 -19.283 1.00 24.21 ATOM 1153 CG LYS 68 17.288 -1.765 -20.480 1.00 35.42 ATOM 1154 HG1 LYS 68 16.879 -2.605 -21.025 1.00 38.81 ATOM 1155 HG2 LYS 68 18.350 -1.910 -20.336 1.00 30.40 ATOM 1156 CD LYS 68 17.064 -0.487 -21.290 1.00 64.33 ATOM 1157 HD1 LYS 68 17.653 0.309 -20.854 1.00 38.81 ATOM 1158 HD2 LYS 68 16.017 -0.222 -21.242 1.00 62.21 ATOM 1159 CE LYS 68 17.457 -0.647 -22.757 1.00 71.45 ATOM 1160 HE1 LYS 68 17.229 0.272 -23.279 1.00 38.81 ATOM 1161 HE2 LYS 68 16.878 -1.452 -23.184 1.00 53.51 ATOM 1162 NZ LYS 68 18.898 -0.956 -22.935 1.00 13.23 ATOM 1163 HZ1 LYS 68 19.487 -0.193 -22.540 1.00 63.31 ATOM 1164 HZ2 LYS 68 19.117 -1.051 -23.948 1.00 3.30 ATOM 1165 HZ3 LYS 68 19.136 -1.847 -22.459 1.00 0.12 ATOM 1166 C LYS 68 16.503 -4.206 -18.935 1.00 24.43 ATOM 1167 O LYS 68 15.391 -4.719 -18.846 1.00 22.25 ATOM 1168 N GLU 69 17.484 -4.747 -19.660 1.00 50.32 ATOM 1169 HN GLU 69 18.352 -4.290 -19.704 1.00 38.81 ATOM 1170 CA GLU 69 17.307 -6.012 -20.389 1.00 14.24 ATOM 1171 HA GLU 69 16.496 -5.875 -21.094 1.00 51.35 ATOM 1172 CB GLU 69 18.588 -6.363 -21.169 1.00 51.12 ATOM 1173 HB1 GLU 69 18.511 -7.382 -21.526 1.00 38.81 ATOM 1174 HB2 GLU 69 19.432 -6.291 -20.499 1.00 14.43 ATOM 1175 CG GLU 69 18.856 -5.457 -22.372 1.00 12.12 ATOM 1176 HG1 GLU 69 18.855 -4.428 -22.038 1.00 38.81 ATOM 1177 HG2 GLU 69 18.065 -5.598 -23.095 1.00 34.13 ATOM 1178 CD GLU 69 20.189 -5.751 -23.052 1.00 24.23 ATOM 1179 OE1 GLU 69 21.019 -4.827 -23.184 1.00 64.40 ATOM 1180 OE2 GLU 69 20.414 -6.914 -23.457 1.00 20.31 ATOM 1181 C GLU 69 16.936 -7.160 -19.436 1.00 22.33 ATOM 1182 O GLU 69 15.985 -7.906 -19.689 1.00 61.13 ATOM 1183 N LEU 70 17.684 -7.291 -18.340 1.00 74.23 ATOM 1184 HN LEU 70 18.447 -6.686 -18.207 1.00 38.81 ATOM 1185 CA LEU 70 17.401 -8.316 -17.330 1.00 42.41 ATOM 1186 HA LEU 70 17.443 -9.280 -17.818 1.00 52.54 ATOM 1187 CB LEU 70 18.461 -8.278 -16.215 1.00 54.04 ATOM 1188 HB1 LEU 70 18.156 -8.963 -15.435 1.00 38.81 ATOM 1189 HB2 LEU 70 18.479 -7.278 -15.801 1.00 53.52 ATOM 1190 CG LEU 70 19.892 -8.649 -16.647 1.00 54.12 ATOM 1191 HG LEU 70 20.205 -7.981 -17.437 1.00 54.33 ATOM 1192 CD1 LEU 70 20.868 -8.482 -15.483 1.00 22.11 ATOM 1193 HD11 LEU 70 20.608 -9.168 -14.689 1.00 11.41 ATOM 1194 HD12 LEU 70 20.817 -7.468 -15.110 1.00 34.32 ATOM 1195 HD13 LEU 70 21.873 -8.688 -15.822 1.00 11.52 ATOM 1196 CD2 LEU 70 19.942 -10.076 -17.191 1.00 5.21 ATOM 1197 HD21 LEU 70 19.608 -10.768 -16.431 1.00 62.35 ATOM 1198 HD22 LEU 70 20.957 -10.319 -17.475 1.00 31.12 ATOM 1199 HD23 LEU 70 19.300 -10.155 -18.056 1.00 4.03 ATOM 1200 C LEU 70 15.996 -8.132 -16.729 1.00 62.13 ATOM 1201 O LEU 70 15.161 -9.036 -16.791 1.00 5.54 ATOM 1202 N ALA 71 15.738 -6.946 -16.172 1.00 3.21 ATOM 1203 HN ALA 71 16.432 -6.251 -16.195 1.00 38.81 ATOM 1204 CA ALA 71 14.452 -6.644 -15.523 1.00 53.43 ATOM 1205 HA ALA 71 14.381 -7.254 -14.632 1.00 53.23 ATOM 1206 CB ALA 71 14.425 -5.186 -15.093 1.00 52.44 ATOM 1207 HB1 ALA 71 13.506 -4.982 -14.562 1.00 24.11 ATOM 1208 HB2 ALA 71 14.485 -4.551 -15.966 1.00 22.02 ATOM 1209 HB3 ALA 71 15.266 -4.984 -14.444 1.00 64.20 ATOM 1210 C ALA 71 13.247 -6.953 -16.429 1.00 42.21 ATOM 1211 O ALA 71 12.283 -7.593 -15.998 1.00 72.41 ATOM 1212 N GLN 72 13.311 -6.498 -17.681 1.00 25.21 ATOM 1213 HN GLN 72 14.097 -5.977 -17.956 1.00 38.81 ATOM 1214 CA GLN 72 12.240 -6.748 -18.657 1.00 20.53 ATOM 1215 HA GLN 72 11.340 -6.280 -18.282 1.00 42.44 ATOM 1216 CB GLN 72 12.598 -6.116 -20.012 1.00 11.13 ATOM 1217 HB1 GLN 72 11.872 -6.429 -20.748 1.00 38.81 ATOM 1218 HB2 GLN 72 13.575 -6.471 -20.312 1.00 45.42 ATOM 1219 CG GLN 72 12.632 -4.590 -19.991 1.00 43.35 ATOM 1220 HG1 GLN 72 13.315 -4.269 -19.217 1.00 38.81 ATOM 1221 HG2 GLN 72 11.640 -4.223 -19.767 1.00 2.11 ATOM 1222 CD GLN 72 13.081 -3.990 -21.314 1.00 14.21 ATOM 1223 OE1 GLN 72 12.275 -3.687 -22.185 1.00 71.52 ATOM 1224 NE2 GLN 72 14.378 -3.829 -21.481 1.00 74.24 ATOM 1225 HE21 GLN 72 14.972 -4.103 -20.756 1.00 5.34 ATOM 1226 HE22 GLN 72 14.690 -3.445 -22.327 1.00 65.40 ATOM 1227 C GLN 72 11.974 -8.253 -18.831 1.00 13.10 ATOM 1228 O GLN 72 10.823 -8.695 -18.850 1.00 4.05 ATOM 1229 N LYS 73 13.041 -9.043 -18.942 1.00 61.32 ATOM 1230 HN LYS 73 13.938 -8.641 -18.908 1.00 38.81 ATOM 1231 CA LYS 73 12.911 -10.496 -19.113 1.00 73.22 ATOM 1232 HA LYS 73 12.133 -10.669 -19.843 1.00 31.25 ATOM 1233 CB LYS 73 14.223 -11.089 -19.649 1.00 13.23 ATOM 1234 HB1 LYS 73 14.140 -12.167 -19.662 1.00 38.81 ATOM 1235 HB2 LYS 73 15.029 -10.809 -18.985 1.00 64.14 ATOM 1236 CG LYS 73 14.581 -10.619 -21.060 1.00 42.02 ATOM 1237 HG1 LYS 73 14.726 -9.547 -21.044 1.00 38.81 ATOM 1238 HG2 LYS 73 13.766 -10.861 -21.728 1.00 73.42 ATOM 1239 CD LYS 73 15.855 -11.282 -21.579 1.00 53.43 ATOM 1240 HD1 LYS 73 16.681 -10.998 -20.941 1.00 38.81 ATOM 1241 HD2 LYS 73 16.045 -10.936 -22.585 1.00 50.44 ATOM 1242 CE LYS 73 15.741 -12.806 -21.594 1.00 3.41 ATOM 1243 HE1 LYS 73 15.572 -13.151 -20.584 1.00 38.81 ATOM 1244 HE2 LYS 73 16.669 -13.219 -21.960 1.00 10.21 ATOM 1245 NZ LYS 73 14.627 -13.288 -22.461 1.00 12.50 ATOM 1246 HZ1 LYS 73 14.820 -13.056 -23.454 1.00 21.15 ATOM 1247 HZ2 LYS 73 13.729 -12.844 -22.181 1.00 42.54 ATOM 1248 HZ3 LYS 73 14.527 -14.321 -22.372 1.00 52.51 ATOM 1249 C LYS 73 12.505 -11.193 -17.802 1.00 35.00 ATOM 1250 O LYS 73 11.908 -12.272 -17.819 1.00 71.32 ATOM 1251 N MET 74 12.822 -10.572 -16.668 1.00 23.31 ATOM 1252 HN MET 74 13.294 -9.712 -16.711 1.00 38.81 ATOM 1253 CA MET 74 12.490 -11.142 -15.357 1.00 63.21 ATOM 1254 HA MET 74 12.422 -12.214 -15.479 1.00 32.34 ATOM 1255 CB MET 74 13.611 -10.841 -14.352 1.00 31.41 ATOM 1256 HB1 MET 74 13.350 -11.273 -13.396 1.00 38.81 ATOM 1257 HB2 MET 74 13.706 -9.770 -14.240 1.00 23.22 ATOM 1258 CG MET 74 14.965 -11.404 -14.780 1.00 74.11 ATOM 1259 HG1 MET 74 15.274 -10.909 -15.689 1.00 38.81 ATOM 1260 HG2 MET 74 14.855 -12.462 -14.972 1.00 64.41 ATOM 1261 SD MET 74 16.252 -11.179 -13.540 1.00 33.11 ATOM 1262 CE MET 74 15.647 -12.236 -12.227 1.00 63.43 ATOM 1263 HE1 MET 74 14.670 -11.896 -11.912 1.00 75.52 ATOM 1264 HE2 MET 74 16.328 -12.193 -11.390 1.00 41.15 ATOM 1265 HE3 MET 74 15.578 -13.254 -12.584 1.00 51.20 ATOM 1266 C MET 74 11.128 -10.639 -14.836 1.00 54.24 ATOM 1267 O MET 74 10.818 -10.782 -13.651 1.00 54.41 ATOM 1268 N GLU 75 10.327 -10.050 -15.736 1.00 20.14 ATOM 1269 HN GLU 75 10.691 -9.841 -16.622 1.00 38.81 ATOM 1270 CA GLU 75 8.922 -9.698 -15.449 1.00 20.22 ATOM 1271 HA GLU 75 8.477 -9.377 -16.380 1.00 12.14 ATOM 1272 CB GLU 75 8.161 -10.940 -14.951 1.00 72.23 ATOM 1273 HB1 GLU 75 7.146 -10.652 -14.709 1.00 38.81 ATOM 1274 HB2 GLU 75 8.642 -11.303 -14.053 1.00 43.44 ATOM 1275 CG GLU 75 8.105 -12.087 -15.957 1.00 31.52 ATOM 1276 HG1 GLU 75 9.104 -12.275 -16.325 1.00 38.81 ATOM 1277 HG2 GLU 75 7.471 -11.794 -16.783 1.00 4.11 ATOM 1278 CD GLU 75 7.556 -13.370 -15.350 1.00 73.35 ATOM 1279 OE1 GLU 75 8.352 -14.297 -15.075 1.00 40.14 ATOM 1280 OE2 GLU 75 6.330 -13.458 -15.133 1.00 43.21 ATOM 1281 C GLU 75 8.777 -8.552 -14.427 1.00 31.22 ATOM 1282 O GLU 75 7.755 -8.454 -13.741 1.00 61.34 ATOM 1283 N ILE 76 9.769 -7.665 -14.352 1.00 44.01 ATOM 1284 HN ILE 76 10.534 -7.749 -14.960 1.00 38.81 ATOM 1285 CA ILE 76 9.738 -6.558 -13.382 1.00 34.23 ATOM 1286 HA ILE 76 8.857 -6.682 -12.765 1.00 51.20 ATOM 1287 CB ILE 76 10.979 -6.592 -12.453 1.00 0.33 ATOM 1288 HB ILE 76 11.861 -6.453 -13.063 1.00 71.13 ATOM 1289 CG1 ILE 76 11.077 -7.950 -11.738 1.00 42.52 ATOM 1290 HG11 ILE 76 11.163 -8.734 -12.479 1.00 38.81 ATOM 1291 HG12 ILE 76 10.184 -8.112 -11.154 1.00 2.22 ATOM 1292 CG2 ILE 76 10.924 -5.452 -11.433 1.00 2.21 ATOM 1293 HG21 ILE 76 10.858 -4.506 -11.951 1.00 4.21 ATOM 1294 HG22 ILE 76 11.818 -5.465 -10.827 1.00 4.14 ATOM 1295 HG23 ILE 76 10.059 -5.577 -10.799 1.00 32.33 ATOM 1296 CD1 ILE 76 12.262 -8.066 -10.807 1.00 43.52 ATOM 1297 HD11 ILE 76 13.175 -7.923 -11.365 1.00 0.33 ATOM 1298 HD12 ILE 76 12.268 -9.047 -10.355 1.00 73.21 ATOM 1299 HD13 ILE 76 12.190 -7.314 -10.034 1.00 52.42 ATOM 1300 C ILE 76 9.664 -5.182 -14.072 1.00 12.20 ATOM 1301 O ILE 76 10.500 -4.850 -14.913 1.00 71.24 ATOM 1302 N ASP 77 8.653 -4.388 -13.705 1.00 63.24 ATOM 1303 HN ASP 77 7.974 -4.741 -13.095 1.00 38.81 ATOM 1304 CA ASP 77 8.519 -3.013 -14.203 1.00 3.13 ATOM 1305 HA ASP 77 8.722 -3.022 -15.265 1.00 60.22 ATOM 1306 CB ASP 77 7.094 -2.499 -13.972 1.00 71.14 ATOM 1307 HB1 ASP 77 7.016 -1.488 -14.349 1.00 38.81 ATOM 1308 HB2 ASP 77 6.885 -2.496 -12.909 1.00 73.55 ATOM 1309 CG ASP 77 6.058 -3.356 -14.666 1.00 42.10 ATOM 1310 OD1 ASP 77 5.690 -3.043 -15.817 1.00 5.22 ATOM 1311 OD2 ASP 77 5.604 -4.347 -14.062 1.00 63.00 ATOM 1312 C ASP 77 9.523 -2.076 -13.514 1.00 52.25 ATOM 1313 O ASP 77 9.399 -1.784 -12.318 1.00 15.14 ATOM 1314 N VAL 78 10.510 -1.604 -14.272 1.00 41.44 ATOM 1315 HN VAL 78 10.528 -1.838 -15.226 1.00 38.81 ATOM 1316 CA VAL 78 11.567 -0.742 -13.728 1.00 65.03 ATOM 1317 HA VAL 78 11.330 -0.533 -12.693 1.00 62.40 ATOM 1318 CB VAL 78 12.950 -1.446 -13.774 1.00 73.50 ATOM 1319 HB VAL 78 13.679 -0.790 -13.314 1.00 12.40 ATOM 1320 CG1 VAL 78 12.924 -2.749 -12.979 1.00 33.40 ATOM 1321 HG11 VAL 78 13.903 -3.210 -13.006 1.00 72.05 ATOM 1322 HG12 VAL 78 12.198 -3.423 -13.411 1.00 55.20 ATOM 1323 HG13 VAL 78 12.655 -2.542 -11.955 1.00 42.04 ATOM 1324 CG2 VAL 78 13.384 -1.697 -15.218 1.00 53.12 ATOM 1325 HG21 VAL 78 14.339 -2.205 -15.226 1.00 71.12 ATOM 1326 HG22 VAL 78 13.476 -0.754 -15.738 1.00 41.14 ATOM 1327 HG23 VAL 78 12.646 -2.311 -15.714 1.00 72.30 ATOM 1328 C VAL 78 11.670 0.594 -14.484 1.00 14.11 ATOM 1329 O VAL 78 11.141 0.747 -15.586 1.00 3.33 ATOM 1330 N ARG 79 12.347 1.560 -13.869 1.00 44.25 ATOM 1331 HN ARG 79 12.627 1.417 -12.940 1.00 38.81 ATOM 1332 CA ARG 79 12.682 2.831 -14.521 1.00 12.22 ATOM 1333 HA ARG 79 12.376 2.767 -15.558 1.00 32.03 ATOM 1334 CB ARG 79 11.941 4.004 -13.853 1.00 61.21 ATOM 1335 HB1 ARG 79 12.264 4.929 -14.313 1.00 38.81 ATOM 1336 HB2 ARG 79 12.200 4.028 -12.803 1.00 73.14 ATOM 1337 CG ARG 79 10.421 3.921 -13.966 1.00 51.21 ATOM 1338 HG1 ARG 79 10.081 3.028 -13.460 1.00 38.81 ATOM 1339 HG2 ARG 79 10.150 3.866 -15.012 1.00 20.20 ATOM 1340 CD ARG 79 9.739 5.137 -13.340 1.00 43.43 ATOM 1341 HD1 ARG 79 10.028 5.199 -12.299 1.00 38.81 ATOM 1342 HD2 ARG 79 8.668 5.007 -13.405 1.00 33.12 ATOM 1343 NE ARG 79 10.102 6.389 -14.007 1.00 73.42 ATOM 1344 HE ARG 79 10.783 6.347 -14.710 1.00 52.43 ATOM 1345 CZ ARG 79 9.575 7.552 -13.724 1.00 72.31 ATOM 1346 NH1 ARG 79 8.633 7.649 -12.843 1.00 15.44 ATOM 1347 HH11 ARG 79 8.306 6.837 -12.373 1.00 14.03 ATOM 1348 HH12 ARG 79 8.219 8.539 -12.652 1.00 41.33 ATOM 1349 NH2 ARG 79 9.974 8.612 -14.345 1.00 4.33 ATOM 1350 HH21 ARG 79 10.683 8.545 -15.046 1.00 64.45 ATOM 1351 HH22 ARG 79 9.577 9.501 -14.120 1.00 34.12 ATOM 1352 C ARG 79 14.201 3.061 -14.472 1.00 54.44 ATOM 1353 O ARG 79 14.752 3.429 -13.434 1.00 41.43 ATOM 1354 N THR 80 14.874 2.812 -15.590 1.00 13.33 ATOM 1355 HN THR 80 14.382 2.542 -16.392 1.00 38.81 ATOM 1356 CA THR 80 16.338 2.932 -15.660 1.00 13.02 ATOM 1357 HA THR 80 16.740 2.697 -14.682 1.00 23.34 ATOM 1358 CB THR 80 16.935 1.932 -16.677 1.00 5.12 ATOM 1359 HB THR 80 17.982 2.166 -16.812 1.00 13.12 ATOM 1360 OG1 THR 80 16.267 2.055 -17.944 1.00 70.22 ATOM 1361 HG1 THR 80 15.865 1.208 -18.180 1.00 64.31 ATOM 1362 CG2 THR 80 16.825 0.498 -16.172 1.00 0.11 ATOM 1363 HG21 THR 80 15.786 0.242 -16.027 1.00 61.31 ATOM 1364 HG22 THR 80 17.354 0.405 -15.235 1.00 64.23 ATOM 1365 HG23 THR 80 17.264 -0.171 -16.899 1.00 23.23 ATOM 1366 C THR 80 16.783 4.346 -16.049 1.00 52.45 ATOM 1367 O THR 80 16.315 4.907 -17.040 1.00 22.30 ATOM 1368 N ARG 81 17.691 4.920 -15.261 1.00 55.14 ATOM 1369 HN ARG 81 17.992 4.445 -14.456 1.00 38.81 ATOM 1370 CA ARG 81 18.247 6.246 -15.551 1.00 72.31 ATOM 1371 HA ARG 81 18.080 6.444 -16.602 1.00 53.11 ATOM 1372 CB ARG 81 17.525 7.330 -14.729 1.00 32.33 ATOM 1373 HB1 ARG 81 18.109 8.240 -14.756 1.00 38.81 ATOM 1374 HB2 ARG 81 17.445 6.996 -13.704 1.00 33.32 ATOM 1375 CG ARG 81 16.124 7.649 -15.240 1.00 3.50 ATOM 1376 HG1 ARG 81 15.667 8.376 -14.582 1.00 38.81 ATOM 1377 HG2 ARG 81 15.534 6.743 -15.244 1.00 52.12 ATOM 1378 CD ARG 81 16.169 8.218 -16.656 1.00 44.53 ATOM 1379 HD1 ARG 81 16.700 7.524 -17.292 1.00 38.81 ATOM 1380 HD2 ARG 81 16.700 9.159 -16.634 1.00 4.20 ATOM 1381 NE ARG 81 14.835 8.438 -17.212 1.00 51.24 ATOM 1382 HE ARG 81 14.135 7.792 -16.976 1.00 23.40 ATOM 1383 CZ ARG 81 14.528 9.419 -18.017 1.00 2.23 ATOM 1384 NH1 ARG 81 15.409 10.315 -18.331 1.00 14.24 ATOM 1385 HH11 ARG 81 16.329 10.261 -17.961 1.00 43.43 ATOM 1386 HH12 ARG 81 15.157 11.064 -18.939 1.00 12.01 ATOM 1387 NH2 ARG 81 13.333 9.513 -18.497 1.00 34.33 ATOM 1388 HH21 ARG 81 12.640 8.839 -18.250 1.00 13.50 ATOM 1389 HH22 ARG 81 13.104 10.258 -19.118 1.00 2.23 ATOM 1390 C ARG 81 19.759 6.298 -15.291 1.00 12.32 ATOM 1391 O ARG 81 20.251 5.797 -14.280 1.00 2.30 ATOM 1392 N LYS 82 20.489 6.904 -16.221 1.00 63.33 ATOM 1393 HN LYS 82 20.041 7.268 -17.011 1.00 38.81 ATOM 1394 CA LYS 82 21.942 7.042 -16.109 1.00 4.04 ATOM 1395 HA LYS 82 22.317 6.190 -15.557 1.00 44.33 ATOM 1396 CB LYS 82 22.565 7.039 -17.510 1.00 52.00 ATOM 1397 HB1 LYS 82 22.134 7.850 -18.081 1.00 38.81 ATOM 1398 HB2 LYS 82 22.319 6.104 -17.995 1.00 32.22 ATOM 1399 CG LYS 82 24.083 7.197 -17.522 1.00 43.34 ATOM 1400 HG1 LYS 82 24.528 6.353 -17.013 1.00 38.81 ATOM 1401 HG2 LYS 82 24.345 8.110 -17.005 1.00 60.12 ATOM 1402 CD LYS 82 24.628 7.261 -18.947 1.00 10.03 ATOM 1403 HD1 LYS 82 24.390 6.337 -19.456 1.00 38.81 ATOM 1404 HD2 LYS 82 25.702 7.380 -18.906 1.00 34.32 ATOM 1405 CE LYS 82 24.032 8.427 -19.731 1.00 12.51 ATOM 1406 HE1 LYS 82 24.290 9.351 -19.233 1.00 38.81 ATOM 1407 HE2 LYS 82 22.958 8.321 -19.750 1.00 3.31 ATOM 1408 NZ LYS 82 24.530 8.477 -21.131 1.00 72.02 ATOM 1409 HZ1 LYS 82 24.278 7.601 -21.632 1.00 20.11 ATOM 1410 HZ2 LYS 82 25.562 8.583 -21.144 1.00 32.05 ATOM 1411 HZ3 LYS 82 24.103 9.283 -21.633 1.00 21.53 ATOM 1412 C LYS 82 22.324 8.327 -15.359 1.00 23.22 ATOM 1413 O LYS 82 22.012 9.434 -15.804 1.00 42.34 ATOM 1414 N VAL 83 23.005 8.177 -14.225 1.00 5.10 ATOM 1415 HN VAL 83 23.243 7.272 -13.929 1.00 38.81 ATOM 1416 CA VAL 83 23.413 9.326 -13.409 1.00 52.22 ATOM 1417 HA VAL 83 23.109 10.226 -13.929 1.00 72.21 ATOM 1418 CB VAL 83 22.711 9.312 -12.025 1.00 4.41 ATOM 1419 HB VAL 83 23.077 10.156 -11.452 1.00 52.44 ATOM 1420 CG1 VAL 83 21.200 9.472 -12.184 1.00 22.42 ATOM 1421 HG11 VAL 83 20.734 9.476 -11.210 1.00 0.14 ATOM 1422 HG12 VAL 83 20.808 8.650 -12.767 1.00 33.03 ATOM 1423 HG13 VAL 83 20.985 10.404 -12.689 1.00 43.03 ATOM 1424 CG2 VAL 83 23.041 8.033 -11.250 1.00 1.32 ATOM 1425 HG21 VAL 83 22.550 8.057 -10.288 1.00 64.51 ATOM 1426 HG22 VAL 83 24.108 7.963 -11.105 1.00 0.42 ATOM 1427 HG23 VAL 83 22.697 7.171 -11.806 1.00 34.40 ATOM 1428 C VAL 83 24.938 9.373 -13.205 1.00 11.41 ATOM 1429 O VAL 83 25.574 8.359 -12.919 1.00 34.11 ATOM 1430 N THR 84 25.516 10.562 -13.360 1.00 11.24 ATOM 1431 HN THR 84 24.965 11.322 -13.648 1.00 38.81 ATOM 1432 CA THR 84 26.955 10.772 -13.128 1.00 20.52 ATOM 1433 HA THR 84 27.405 9.812 -12.910 1.00 13.54 ATOM 1434 CB THR 84 27.656 11.363 -14.377 1.00 2.44 ATOM 1435 HB THR 84 28.703 11.512 -14.149 1.00 71.53 ATOM 1436 OG1 THR 84 27.072 12.630 -14.724 1.00 23.13 ATOM 1437 HG1 THR 84 27.764 13.223 -15.052 1.00 30.21 ATOM 1438 CG2 THR 84 27.549 10.413 -15.564 1.00 14.12 ATOM 1439 HG21 THR 84 26.509 10.252 -15.805 1.00 12.24 ATOM 1440 HG22 THR 84 28.010 9.468 -15.314 1.00 61.45 ATOM 1441 HG23 THR 84 28.053 10.843 -16.417 1.00 33.12 ATOM 1442 C THR 84 27.189 11.709 -11.938 1.00 53.32 ATOM 1443 O THR 84 28.171 11.574 -11.205 1.00 74.00 ATOM 1444 N SER 85 26.275 12.662 -11.753 1.00 34.40 ATOM 1445 HN SER 85 25.533 12.733 -12.390 1.00 38.81 ATOM 1446 CA SER 85 26.348 13.613 -10.634 1.00 21.42 ATOM 1447 HA SER 85 27.372 13.642 -10.290 1.00 44.40 ATOM 1448 CB SER 85 25.940 15.022 -11.102 1.00 23.41 ATOM 1449 HB1 SER 85 25.980 15.703 -10.263 1.00 38.81 ATOM 1450 HB2 SER 85 24.933 14.994 -11.493 1.00 65.42 ATOM 1451 OG SER 85 26.810 15.501 -12.119 1.00 55.12 ATOM 1452 HG SER 85 26.313 15.626 -12.937 1.00 73.11 ATOM 1453 C SER 85 25.442 13.174 -9.470 1.00 1.52 ATOM 1454 O SER 85 24.284 12.813 -9.683 1.00 34.34 ATOM 1455 N PRO 86 25.952 13.214 -8.217 1.00 65.10 ATOM 1456 CA PRO 86 25.180 12.806 -7.021 1.00 41.13 ATOM 1457 HA PRO 86 25.049 11.734 -6.988 1.00 34.30 ATOM 1458 CB PRO 86 26.082 13.246 -5.857 1.00 34.54 ATOM 1459 HB1 PRO 86 25.979 12.554 -5.033 1.00 38.81 ATOM 1460 HB2 PRO 86 25.807 14.242 -5.533 1.00 13.15 ATOM 1461 CG PRO 86 27.461 13.217 -6.423 1.00 15.42 ATOM 1462 HG1 PRO 86 27.863 12.215 -6.365 1.00 38.81 ATOM 1463 HG2 PRO 86 28.097 13.907 -5.885 1.00 4.23 ATOM 1464 CD PRO 86 27.323 13.643 -7.862 1.00 53.24 ATOM 1465 HD1 PRO 86 28.056 13.143 -8.479 1.00 38.81 ATOM 1466 HD2 PRO 86 27.424 14.716 -7.950 1.00 44.02 ATOM 1467 C PRO 86 23.802 13.482 -6.924 1.00 23.41 ATOM 1468 O PRO 86 22.821 12.864 -6.499 1.00 41.41 ATOM 1469 N ASP 87 23.732 14.748 -7.336 1.00 32.04 ATOM 1470 HN ASP 87 24.540 15.178 -7.686 1.00 38.81 ATOM 1471 CA ASP 87 22.484 15.515 -7.271 1.00 43.34 ATOM 1472 HA ASP 87 22.142 15.484 -6.249 1.00 34.44 ATOM 1473 CB ASP 87 22.733 16.975 -7.654 1.00 74.25 ATOM 1474 HB1 ASP 87 23.064 17.025 -8.683 1.00 38.81 ATOM 1475 HB2 ASP 87 23.502 17.384 -7.012 1.00 63.12 ATOM 1476 CG ASP 87 21.479 17.814 -7.500 1.00 44.34 ATOM 1477 OD1 ASP 87 21.087 18.091 -6.344 1.00 41.31 ATOM 1478 OD2 ASP 87 20.867 18.179 -8.523 1.00 31.44 ATOM 1479 C ASP 87 21.388 14.911 -8.163 1.00 72.12 ATOM 1480 O ASP 87 20.199 14.990 -7.842 1.00 60.12 ATOM 1481 N GLU 88 21.792 14.302 -9.273 1.00 31.12 ATOM 1482 HN GLU 88 22.748 14.284 -9.488 1.00 38.81 ATOM 1483 CA GLU 88 20.845 13.655 -10.184 1.00 24.42 ATOM 1484 HA GLU 88 20.116 14.396 -10.483 1.00 60.54 ATOM 1485 CB GLU 88 21.578 13.145 -11.428 1.00 1.15 ATOM 1486 HB1 GLU 88 20.854 12.722 -12.112 1.00 38.81 ATOM 1487 HB2 GLU 88 22.272 12.371 -11.130 1.00 13.54 ATOM 1488 CG GLU 88 22.359 14.226 -12.165 1.00 50.11 ATOM 1489 HG1 GLU 88 22.919 13.762 -12.965 1.00 38.81 ATOM 1490 HG2 GLU 88 23.050 14.688 -11.473 1.00 44.14 ATOM 1491 CD GLU 88 21.469 15.309 -12.757 1.00 45.11 ATOM 1492 OE1 GLU 88 21.100 15.195 -13.945 1.00 35.22 ATOM 1493 OE2 GLU 88 21.147 16.288 -12.045 1.00 21.31 ATOM 1494 C GLU 88 20.122 12.501 -9.483 1.00 34.04 ATOM 1495 O GLU 88 18.893 12.444 -9.461 1.00 21.35 ATOM 1496 N ALA 89 20.902 11.588 -8.900 1.00 42.42 ATOM 1497 HN ALA 89 21.873 11.657 -9.005 1.00 38.81 ATOM 1498 CA ALA 89 20.346 10.486 -8.106 1.00 32.42 ATOM 1499 HA ALA 89 19.764 9.860 -8.768 1.00 31.44 ATOM 1500 CB ALA 89 21.470 9.641 -7.515 1.00 51.42 ATOM 1501 HB1 ALA 89 22.048 10.238 -6.823 1.00 42.53 ATOM 1502 HB2 ALA 89 22.114 9.289 -8.309 1.00 34.23 ATOM 1503 HB3 ALA 89 21.049 8.793 -6.993 1.00 70.52 ATOM 1504 C ALA 89 19.433 11.023 -6.996 1.00 45.13 ATOM 1505 O ALA 89 18.354 10.482 -6.746 1.00 44.11 ATOM 1506 N LYS 90 19.874 12.102 -6.344 1.00 13.14 ATOM 1507 HN LYS 90 20.774 12.438 -6.540 1.00 38.81 ATOM 1508 CA LYS 90 19.061 12.791 -5.336 1.00 51.34 ATOM 1509 HA LYS 90 18.935 12.117 -4.501 1.00 74.31 ATOM 1510 CB LYS 90 19.776 14.062 -4.848 1.00 22.44 ATOM 1511 HB1 LYS 90 19.069 14.667 -4.296 1.00 38.81 ATOM 1512 HB2 LYS 90 20.116 14.622 -5.708 1.00 14.13 ATOM 1513 CG LYS 90 20.979 13.800 -3.947 1.00 3.40 ATOM 1514 HG1 LYS 90 21.643 13.111 -4.449 1.00 38.81 ATOM 1515 HG2 LYS 90 20.633 13.353 -3.026 1.00 50.03 ATOM 1516 CD LYS 90 21.759 15.080 -3.610 1.00 72.25 ATOM 1517 HD1 LYS 90 22.202 15.465 -4.516 1.00 38.81 ATOM 1518 HD2 LYS 90 22.545 14.828 -2.914 1.00 54.34 ATOM 1519 CE LYS 90 20.888 16.174 -2.983 1.00 4.33 ATOM 1520 HE1 LYS 90 21.533 16.884 -2.486 1.00 38.81 ATOM 1521 HE2 LYS 90 20.233 15.719 -2.254 1.00 40.12 ATOM 1522 NZ LYS 90 20.055 16.900 -3.988 1.00 33.33 ATOM 1523 HZ1 LYS 90 19.602 17.725 -3.544 1.00 71.22 ATOM 1524 HZ2 LYS 90 19.310 16.276 -4.358 1.00 23.11 ATOM 1525 HZ3 LYS 90 20.646 17.230 -4.783 1.00 60.34 ATOM 1526 C LYS 90 17.674 13.161 -5.884 1.00 61.04 ATOM 1527 O LYS 90 16.646 12.850 -5.269 1.00 12.12 ATOM 1528 N ARG 91 17.644 13.822 -7.042 1.00 24.12 ATOM 1529 HN ARG 91 18.488 14.027 -7.503 1.00 38.81 ATOM 1530 CA ARG 91 16.377 14.243 -7.637 1.00 4.12 ATOM 1531 HA ARG 91 15.838 14.798 -6.881 1.00 44.21 ATOM 1532 CB ARG 91 16.593 15.157 -8.849 1.00 42.53 ATOM 1533 HB1 ARG 91 17.170 14.629 -9.594 1.00 38.81 ATOM 1534 HB2 ARG 91 17.140 16.037 -8.534 1.00 30.01 ATOM 1535 CG ARG 91 15.274 15.600 -9.478 1.00 64.23 ATOM 1536 HG1 ARG 91 14.734 16.200 -8.756 1.00 38.81 ATOM 1537 HG2 ARG 91 14.691 14.722 -9.710 1.00 23.32 ATOM 1538 CD ARG 91 15.450 16.411 -10.754 1.00 43.25 ATOM 1539 HD1 ARG 91 16.097 15.870 -11.431 1.00 38.81 ATOM 1540 HD2 ARG 91 15.896 17.364 -10.508 1.00 54.42 ATOM 1541 NE ARG 91 14.158 16.635 -11.405 1.00 15.13 ATOM 1542 HE ARG 91 13.380 16.179 -11.024 1.00 5.40 ATOM 1543 CZ ARG 91 13.968 17.380 -12.457 1.00 5.12 ATOM 1544 NH1 ARG 91 14.950 18.022 -13.005 1.00 43.22 ATOM 1545 HH11 ARG 91 15.864 17.949 -12.623 1.00 72.20 ATOM 1546 HH12 ARG 91 14.785 18.593 -13.809 1.00 31.21 ATOM 1547 NH2 ARG 91 12.779 17.479 -12.956 1.00 11.51 ATOM 1548 HH21 ARG 91 12.021 16.987 -12.531 1.00 73.35 ATOM 1549 HH22 ARG 91 12.622 18.035 -13.773 1.00 24.05 ATOM 1550 C ARG 91 15.518 13.040 -8.054 1.00 54.03 ATOM 1551 O ARG 91 14.343 12.983 -7.723 1.00 44.44 ATOM 1552 N TRP 92 16.104 12.085 -8.778 1.00 71.31 ATOM 1553 HN TRP 92 17.061 12.159 -8.979 1.00 38.81 ATOM 1554 CA TRP 92 15.351 10.924 -9.283 1.00 70.22 ATOM 1555 HA TRP 92 14.597 11.309 -9.957 1.00 33.45 ATOM 1556 CB TRP 92 16.270 9.984 -10.078 1.00 3.22 ATOM 1557 HB1 TRP 92 15.767 9.040 -10.236 1.00 38.81 ATOM 1558 HB2 TRP 92 17.177 9.811 -9.516 1.00 13.15 ATOM 1559 CG TRP 92 16.652 10.537 -11.425 1.00 61.43 ATOM 1560 CD1 TRP 92 17.875 11.007 -11.814 1.00 31.43 ATOM 1561 HD1 TRP 92 18.749 11.031 -11.178 1.00 30.00 ATOM 1562 CD2 TRP 92 15.788 10.686 -12.560 1.00 33.04 ATOM 1563 NE1 TRP 92 17.821 11.444 -13.116 1.00 12.11 ATOM 1564 HE1 TRP 92 18.571 11.830 -13.621 1.00 1.23 ATOM 1565 CE2 TRP 92 16.552 11.255 -13.596 1.00 73.50 ATOM 1566 CE3 TRP 92 14.440 10.396 -12.798 1.00 23.13 ATOM 1567 HE3 TRP 92 13.817 9.962 -12.028 1.00 10.53 ATOM 1568 CZ2 TRP 92 16.016 11.532 -14.851 1.00 22.43 ATOM 1569 HZ2 TRP 92 16.609 11.967 -15.642 1.00 13.42 ATOM 1570 CZ3 TRP 92 13.909 10.671 -14.044 1.00 43.12 ATOM 1571 HZ3 TRP 92 12.870 10.453 -14.247 1.00 30.43 ATOM 1572 CH2 TRP 92 14.695 11.237 -15.056 1.00 32.01 ATOM 1573 HH2 TRP 92 14.238 11.436 -16.015 1.00 74.22 ATOM 1574 C TRP 92 14.629 10.163 -8.158 1.00 22.25 ATOM 1575 O TRP 92 13.487 9.730 -8.331 1.00 53.53 ATOM 1576 N ILE 93 15.285 10.009 -7.007 1.00 61.42 ATOM 1577 HN ILE 93 16.221 10.301 -6.945 1.00 38.81 ATOM 1578 CA ILE 93 14.638 9.405 -5.833 1.00 21.23 ATOM 1579 HA ILE 93 14.279 8.425 -6.123 1.00 30.23 ATOM 1580 CB ILE 93 15.640 9.229 -4.661 1.00 54.43 ATOM 1581 HB ILE 93 16.085 10.193 -4.451 1.00 64.23 ATOM 1582 CG1 ILE 93 16.753 8.244 -5.062 1.00 73.21 ATOM 1583 HG11 ILE 93 17.266 8.627 -5.934 1.00 38.81 ATOM 1584 HG12 ILE 93 16.311 7.289 -5.303 1.00 24.12 ATOM 1585 CG2 ILE 93 14.924 8.753 -3.395 1.00 1.33 ATOM 1586 HG21 ILE 93 14.173 9.476 -3.110 1.00 10.01 ATOM 1587 HG22 ILE 93 15.639 8.643 -2.592 1.00 44.22 ATOM 1588 HG23 ILE 93 14.449 7.800 -3.586 1.00 14.03 ATOM 1589 CD1 ILE 93 17.789 8.011 -3.984 1.00 15.52 ATOM 1590 HD11 ILE 93 18.518 7.295 -4.334 1.00 1.02 ATOM 1591 HD12 ILE 93 17.308 7.627 -3.096 1.00 30.53 ATOM 1592 HD13 ILE 93 18.284 8.942 -3.751 1.00 72.03 ATOM 1593 C ILE 93 13.436 10.252 -5.374 1.00 54.10 ATOM 1594 O ILE 93 12.369 9.722 -5.044 1.00 0.23 ATOM 1595 N LYS 94 13.614 11.574 -5.371 1.00 74.32 ATOM 1596 HN LYS 94 14.507 11.934 -5.577 1.00 38.81 ATOM 1597 CA LYS 94 12.522 12.508 -5.065 1.00 61.30 ATOM 1598 HA LYS 94 12.158 12.278 -4.072 1.00 65.40 ATOM 1599 CB LYS 94 13.054 13.952 -5.078 1.00 63.11 ATOM 1600 HB1 LYS 94 13.688 14.080 -5.943 1.00 38.81 ATOM 1601 HB2 LYS 94 13.645 14.113 -4.186 1.00 25.30 ATOM 1602 CG LYS 94 11.962 15.016 -5.123 1.00 34.54 ATOM 1603 HG1 LYS 94 11.381 14.958 -4.213 1.00 38.81 ATOM 1604 HG2 LYS 94 11.322 14.823 -5.972 1.00 63.34 ATOM 1605 CD LYS 94 12.544 16.420 -5.253 1.00 30.33 ATOM 1606 HD1 LYS 94 13.258 16.432 -6.066 1.00 38.81 ATOM 1607 HD2 LYS 94 13.044 16.680 -4.330 1.00 64.31 ATOM 1608 CE LYS 94 11.459 17.451 -5.534 1.00 34.41 ATOM 1609 HE1 LYS 94 11.912 18.431 -5.580 1.00 38.81 ATOM 1610 HE2 LYS 94 10.738 17.427 -4.729 1.00 54.32 ATOM 1611 NZ LYS 94 10.757 17.180 -6.817 1.00 45.03 ATOM 1612 HZ1 LYS 94 11.442 17.135 -7.601 1.00 73.13 ATOM 1613 HZ2 LYS 94 10.074 17.934 -7.018 1.00 21.22 ATOM 1614 HZ3 LYS 94 10.248 16.275 -6.770 1.00 74.30 ATOM 1615 C LYS 94 11.360 12.364 -6.066 1.00 71.32 ATOM 1616 O LYS 94 10.226 12.082 -5.676 1.00 4.01 ATOM 1617 N GLU 95 11.658 12.530 -7.355 1.00 72.13 ATOM 1618 HN GLU 95 12.578 12.735 -7.602 1.00 38.81 ATOM 1619 CA GLU 95 10.646 12.422 -8.417 1.00 11.12 ATOM 1620 HA GLU 95 9.945 13.237 -8.295 1.00 41.10 ATOM 1621 CB GLU 95 11.313 12.530 -9.802 1.00 11.31 ATOM 1622 HB1 GLU 95 10.540 12.594 -10.556 1.00 38.81 ATOM 1623 HB2 GLU 95 11.892 11.634 -9.976 1.00 15.04 ATOM 1624 CG GLU 95 12.245 13.731 -9.974 1.00 43.44 ATOM 1625 HG1 GLU 95 12.802 13.604 -10.894 1.00 38.81 ATOM 1626 HG2 GLU 95 12.938 13.747 -9.145 1.00 33.52 ATOM 1627 CD GLU 95 11.526 15.072 -10.022 1.00 65.01 ATOM 1628 OE1 GLU 95 11.327 15.608 -11.138 1.00 3.23 ATOM 1629 OE2 GLU 95 11.188 15.616 -8.951 1.00 34.44 ATOM 1630 C GLU 95 9.891 11.086 -8.322 1.00 0.51 ATOM 1631 O GLU 95 8.665 11.037 -8.436 1.00 63.11 ATOM 1632 N PHE 96 10.641 10.008 -8.097 1.00 74.12 ATOM 1633 HN PHE 96 11.610 10.125 -7.987 1.00 38.81 ATOM 1634 CA PHE 96 10.076 8.656 -8.013 1.00 14.23 ATOM 1635 HA PHE 96 9.546 8.466 -8.936 1.00 73.51 ATOM 1636 CB PHE 96 11.210 7.631 -7.876 1.00 33.15 ATOM 1637 HB1 PHE 96 11.689 7.763 -6.915 1.00 38.81 ATOM 1638 HB2 PHE 96 11.938 7.805 -8.656 1.00 14.23 ATOM 1639 CG PHE 96 10.758 6.195 -7.982 1.00 41.11 ATOM 1640 CD1 PHE 96 10.784 5.356 -6.876 1.00 44.24 ATOM 1641 HD1 PHE 96 11.125 5.741 -5.925 1.00 55.32 ATOM 1642 CD2 PHE 96 10.314 5.684 -9.194 1.00 1.12 ATOM 1643 HD2 PHE 96 10.287 6.327 -10.064 1.00 61.13 ATOM 1644 CE1 PHE 96 10.376 4.041 -6.978 1.00 54.32 ATOM 1645 HE1 PHE 96 10.402 3.398 -6.110 1.00 43.10 ATOM 1646 CE2 PHE 96 9.904 4.369 -9.299 1.00 14.02 ATOM 1647 HE2 PHE 96 9.562 3.985 -10.248 1.00 33.30 ATOM 1648 CZ PHE 96 9.937 3.548 -8.191 1.00 64.41 ATOM 1649 HZ PHE 96 9.620 2.519 -8.272 1.00 13.41 ATOM 1650 C PHE 96 9.090 8.520 -6.838 1.00 53.35 ATOM 1651 O PHE 96 8.022 7.921 -6.978 1.00 60.43 ATOM 1652 N SER 97 9.450 9.083 -5.683 1.00 33.40 ATOM 1653 HN SER 97 10.325 9.525 -5.619 1.00 38.81 ATOM 1654 CA SER 97 8.570 9.052 -4.500 1.00 14.12 ATOM 1655 HA SER 97 8.294 8.021 -4.324 1.00 72.23 ATOM 1656 CB SER 97 9.293 9.590 -3.254 1.00 21.12 ATOM 1657 HB1 SER 97 10.216 9.044 -3.116 1.00 38.81 ATOM 1658 HB2 SER 97 8.666 9.452 -2.386 1.00 13.43 ATOM 1659 OG SER 97 9.599 10.971 -3.377 1.00 5.45 ATOM 1660 HG SER 97 10.339 11.081 -3.983 1.00 3.31 ATOM 1661 C SER 97 7.289 9.861 -4.742 1.00 3.33 ATOM 1662 O SER 97 6.238 9.569 -4.166 1.00 22.11 ATOM 1663 N GLU 98 7.382 10.882 -5.595 1.00 14.45 ATOM 1664 HN GLU 98 8.256 11.099 -5.986 1.00 38.81 ATOM 1665 CA GLU 98 6.217 11.701 -5.951 1.00 13.30 ATOM 1666 HA GLU 98 5.643 11.863 -5.047 1.00 10.01 ATOM 1667 CB GLU 98 6.666 13.062 -6.495 1.00 62.53 ATOM 1668 HB1 GLU 98 5.789 13.651 -6.726 1.00 38.81 ATOM 1669 HB2 GLU 98 7.233 12.905 -7.403 1.00 11.21 ATOM 1670 CG GLU 98 7.530 13.852 -5.519 1.00 4.52 ATOM 1671 HG1 GLU 98 8.466 13.328 -5.383 1.00 38.81 ATOM 1672 HG2 GLU 98 7.016 13.910 -4.569 1.00 51.24 ATOM 1673 CD GLU 98 7.827 15.263 -5.997 1.00 24.24 ATOM 1674 OE1 GLU 98 8.691 15.432 -6.879 1.00 32.04 ATOM 1675 OE2 GLU 98 7.203 16.214 -5.481 1.00 3.40 ATOM 1676 C GLU 98 5.316 10.994 -6.978 1.00 43.40 ATOM 1677 O GLU 98 4.167 11.392 -7.182 1.00 61.15 ATOM 1678 N GLU 99 5.848 9.960 -7.635 1.00 63.03 ATOM 1679 HN GLU 99 6.794 9.744 -7.495 1.00 38.81 ATOM 1680 CA GLU 99 5.057 9.141 -8.568 1.00 14.21 ATOM 1681 HA GLU 99 4.515 9.808 -9.224 1.00 72.34 ATOM 1682 CB GLU 99 5.987 8.250 -9.411 1.00 71.30 ATOM 1683 HB1 GLU 99 5.382 7.631 -10.060 1.00 38.81 ATOM 1684 HB2 GLU 99 6.549 7.609 -8.746 1.00 72.52 ATOM 1685 CG GLU 99 6.980 9.021 -10.277 1.00 24.32 ATOM 1686 HG1 GLU 99 7.736 8.332 -10.632 1.00 38.81 ATOM 1687 HG2 GLU 99 7.453 9.777 -9.667 1.00 64.33 ATOM 1688 CD GLU 99 6.335 9.700 -11.477 1.00 24.14 ATOM 1689 OE1 GLU 99 5.817 10.827 -11.330 1.00 62.31 ATOM 1690 OE2 GLU 99 6.356 9.111 -12.578 1.00 71.23 ATOM 1691 C GLU 99 4.054 8.264 -7.802 1.00 60.13 ATOM 1692 O GLU 99 2.842 8.396 -7.971 1.00 52.00 ATOM 1693 N GLY 100 4.582 7.369 -6.961 1.00 21.00 ATOM 1694 HN GLY 100 5.557 7.291 -6.908 1.00 38.81 ATOM 1695 CA GLY 100 3.747 6.517 -6.107 1.00 64.05 ATOM 1696 HA1 GLY 100 3.247 7.147 -5.384 1.00 38.81 ATOM 1697 HA2 GLY 100 4.391 5.835 -5.574 1.00 54.53 ATOM 1698 C GLY 100 2.690 5.694 -6.852 1.00 31.33 ATOM 1699 O GLY 100 1.786 5.134 -6.228 1.00 5.31 ATOM 1700 N GLY 101 2.811 5.596 -8.175 1.00 25.42 ATOM 1701 HN GLY 101 3.587 5.997 -8.614 1.00 38.81 ATOM 1702 CA GLY 101 1.799 4.911 -8.971 1.00 42.23 ATOM 1703 HA1 GLY 101 1.650 3.917 -8.572 1.00 38.81 ATOM 1704 HA2 GLY 101 2.154 4.830 -9.988 1.00 64.30 ATOM 1705 C GLY 101 0.463 5.651 -8.974 1.00 40.23 ATOM 1706 O GLY 101 0.336 6.712 -9.593 1.00 61.43 ATOM 1707 N SER 102 -0.533 5.089 -8.289 1.00 73.22 ATOM 1708 HN SER 102 -0.385 4.211 -7.878 1.00 38.81 ATOM 1709 CA SER 102 -1.844 5.739 -8.133 1.00 43.33 ATOM 1710 HA SER 102 -1.676 6.696 -7.655 1.00 3.54 ATOM 1711 CB SER 102 -2.518 5.979 -9.497 1.00 72.42 ATOM 1712 HB1 SER 102 -1.882 6.611 -10.101 1.00 38.81 ATOM 1713 HB2 SER 102 -3.466 6.473 -9.344 1.00 55.15 ATOM 1714 OG SER 102 -2.750 4.761 -10.201 1.00 24.42 ATOM 1715 HG SER 102 -3.059 4.083 -9.581 1.00 21.23 ATOM 1716 C SER 102 -2.779 4.908 -7.246 1.00 42.43 ATOM 1717 O SER 102 -3.130 3.779 -7.591 1.00 2.41 ATOM 1718 N LEU 103 -3.183 5.470 -6.106 1.00 11.33 ATOM 1719 HN LEU 103 -2.835 6.355 -5.863 1.00 38.81 ATOM 1720 CA LEU 103 -4.132 4.802 -5.206 1.00 22.52 ATOM 1721 HA LEU 103 -3.788 3.788 -5.056 1.00 74.24 ATOM 1722 CB LEU 103 -4.177 5.520 -3.846 1.00 11.20 ATOM 1723 HB1 LEU 103 -4.916 5.030 -3.227 1.00 38.81 ATOM 1724 HB2 LEU 103 -4.496 6.540 -4.014 1.00 0.23 ATOM 1725 CG LEU 103 -2.848 5.551 -3.071 1.00 72.23 ATOM 1726 HG LEU 103 -2.104 6.061 -3.667 1.00 31.52 ATOM 1727 CD1 LEU 103 -3.006 6.322 -1.762 1.00 65.14 ATOM 1728 HD11 LEU 103 -2.057 6.355 -1.246 1.00 50.13 ATOM 1729 HD12 LEU 103 -3.737 5.831 -1.137 1.00 54.44 ATOM 1730 HD13 LEU 103 -3.334 7.330 -1.975 1.00 3.04 ATOM 1731 CD2 LEU 103 -2.345 4.131 -2.806 1.00 65.13 ATOM 1732 HD21 LEU 103 -2.158 3.634 -3.746 1.00 23.13 ATOM 1733 HD22 LEU 103 -3.091 3.579 -2.250 1.00 11.41 ATOM 1734 HD23 LEU 103 -1.430 4.172 -2.233 1.00 74.05 ATOM 1735 C LEU 103 -5.536 4.762 -5.825 1.00 4.04 ATOM 1736 O LEU 103 -6.230 3.741 -5.770 1.00 61.31 ATOM 1737 N GLU 104 -5.947 5.882 -6.416 1.00 0.14 ATOM 1738 HN GLU 104 -5.366 6.671 -6.394 1.00 38.81 ATOM 1739 CA GLU 104 -7.246 5.977 -7.087 1.00 5.21 ATOM 1740 HA GLU 104 -7.988 5.563 -6.416 1.00 54.05 ATOM 1741 CB GLU 104 -7.606 7.449 -7.362 1.00 20.10 ATOM 1742 HB1 GLU 104 -8.359 7.486 -8.137 1.00 38.81 ATOM 1743 HB2 GLU 104 -6.722 7.962 -7.714 1.00 12.35 ATOM 1744 CG GLU 104 -8.141 8.205 -6.145 1.00 23.21 ATOM 1745 HG1 GLU 104 -9.127 7.827 -5.912 1.00 38.81 ATOM 1746 HG2 GLU 104 -8.215 9.255 -6.395 1.00 51.13 ATOM 1747 CD GLU 104 -7.258 8.063 -4.913 1.00 62.51 ATOM 1748 OE1 GLU 104 -7.695 7.423 -3.932 1.00 33.42 ATOM 1749 OE2 GLU 104 -6.120 8.574 -4.925 1.00 53.00 ATOM 1750 C GLU 104 -7.275 5.164 -8.392 1.00 20.22 ATOM 1751 O GLU 104 -7.116 5.707 -9.489 1.00 71.41 ATOM 1752 N HIS 105 -7.443 3.851 -8.262 1.00 54.40 ATOM 1753 HN HIS 105 -7.412 3.457 -7.363 1.00 38.81 ATOM 1754 CA HIS 105 -7.649 2.980 -9.421 1.00 34.44 ATOM 1755 HA HIS 105 -7.242 3.480 -10.291 1.00 1.04 ATOM 1756 CB HIS 105 -6.922 1.640 -9.224 1.00 13.43 ATOM 1757 HB1 HIS 105 -7.493 1.021 -8.546 1.00 38.81 ATOM 1758 HB2 HIS 105 -5.948 1.826 -8.795 1.00 50.41 ATOM 1759 CG HIS 105 -6.723 0.870 -10.497 1.00 22.21 ATOM 1760 ND1 HIS 105 -5.556 0.923 -11.228 1.00 41.40 ATOM 1761 HD1 HIS 105 -4.755 1.440 -10.992 1.00 74.32 ATOM 1762 CD2 HIS 105 -7.544 0.029 -11.175 1.00 24.12 ATOM 1763 HD2 HIS 105 -8.548 -0.253 -10.894 1.00 2.31 ATOM 1764 CE1 HIS 105 -5.664 0.157 -12.292 1.00 54.40 ATOM 1765 HE1 HIS 105 -4.903 0.006 -13.042 1.00 4.13 ATOM 1766 NE2 HIS 105 -6.858 -0.397 -12.285 1.00 12.14 ATOM 1767 HE2 HIS 105 -7.242 -0.906 -13.030 1.00 38.81 ATOM 1768 C HIS 105 -9.156 2.758 -9.641 1.00 42.23 ATOM 1769 O HIS 105 -9.582 2.263 -10.683 1.00 3.31 ATOM 1770 N HIS 106 -9.948 3.131 -8.633 1.00 61.33 ATOM 1771 HN HIS 106 -9.531 3.429 -7.796 1.00 38.81 ATOM 1772 CA HIS 106 -11.414 3.103 -8.717 1.00 62.42 ATOM 1773 HA HIS 106 -11.704 2.157 -9.150 1.00 2.51 ATOM 1774 CB HIS 106 -12.007 3.211 -7.302 1.00 63.23 ATOM 1775 HB1 HIS 106 -11.589 4.080 -6.811 1.00 38.81 ATOM 1776 HB2 HIS 106 -11.737 2.329 -6.741 1.00 75.54 ATOM 1777 CG HIS 106 -13.502 3.335 -7.262 1.00 55.24 ATOM 1778 ND1 HIS 106 -14.152 4.431 -6.735 1.00 42.11 ATOM 1779 HD1 HIS 106 -13.720 5.223 -6.346 1.00 22.45 ATOM 1780 CD2 HIS 106 -14.478 2.493 -7.677 1.00 11.33 ATOM 1781 HD2 HIS 106 -14.338 1.530 -8.146 1.00 2.43 ATOM 1782 CE1 HIS 106 -15.454 4.257 -6.828 1.00 23.21 ATOM 1783 HE1 HIS 106 -16.210 4.957 -6.500 1.00 62.14 ATOM 1784 NE2 HIS 106 -15.680 3.092 -7.393 1.00 61.45 ATOM 1785 HE2 HIS 106 -16.553 2.647 -7.426 1.00 38.81 ATOM 1786 C HIS 106 -11.934 4.242 -9.614 1.00 23.14 ATOM 1787 O HIS 106 -13.068 4.205 -10.098 1.00 63.12 ATOM 1788 N HIS 107 -11.098 5.257 -9.815 1.00 63.22 ATOM 1789 HN HIS 107 -10.238 5.258 -9.345 1.00 38.81 ATOM 1790 CA HIS 107 -11.414 6.371 -10.709 1.00 61.15 ATOM 1791 HA HIS 107 -12.069 5.998 -11.486 1.00 61.24 ATOM 1792 CB HIS 107 -12.135 7.493 -9.944 1.00 12.51 ATOM 1793 HB1 HIS 107 -11.516 7.812 -9.117 1.00 38.81 ATOM 1794 HB2 HIS 107 -13.071 7.115 -9.561 1.00 62.32 ATOM 1795 CG HIS 107 -12.436 8.695 -10.790 1.00 62.04 ATOM 1796 ND1 HIS 107 -11.774 9.897 -10.658 1.00 5.40 ATOM 1797 HD1 HIS 107 -11.064 10.093 -10.009 1.00 23.33 ATOM 1798 CD2 HIS 107 -13.331 8.872 -11.791 1.00 53.12 ATOM 1799 HD2 HIS 107 -14.024 8.134 -12.170 1.00 12.10 ATOM 1800 CE1 HIS 107 -12.245 10.757 -11.538 1.00 1.03 ATOM 1801 HE1 HIS 107 -11.914 11.777 -11.666 1.00 14.12 ATOM 1802 NE2 HIS 107 -13.189 10.160 -12.237 1.00 51.11 ATOM 1803 HE2 HIS 107 -13.631 10.540 -13.027 1.00 38.81 ATOM 1804 C HIS 107 -10.135 6.913 -11.361 1.00 2.20 ATOM 1805 O HIS 107 -9.309 7.541 -10.698 1.00 50.33 ATOM 1806 N HIS 108 -9.972 6.658 -12.655 1.00 10.35 ATOM 1807 HN HIS 108 -10.669 6.157 -13.134 1.00 38.81 ATOM 1808 CA HIS 108 -8.782 7.100 -13.389 1.00 53.00 ATOM 1809 HA HIS 108 -8.063 7.466 -12.669 1.00 25.02 ATOM 1810 CB HIS 108 -8.163 5.913 -14.145 1.00 20.02 ATOM 1811 HB1 HIS 108 -8.921 5.460 -14.770 1.00 38.81 ATOM 1812 HB2 HIS 108 -7.814 5.182 -13.430 1.00 72.55 ATOM 1813 CG HIS 108 -7.003 6.285 -15.021 1.00 70.42 ATOM 1814 ND1 HIS 108 -7.025 6.153 -16.391 1.00 33.44 ATOM 1815 HD1 HIS 108 -7.772 5.802 -16.923 1.00 53.12 ATOM 1816 CD2 HIS 108 -5.782 6.788 -14.718 1.00 32.14 ATOM 1817 HD2 HIS 108 -5.409 7.015 -13.729 1.00 12.52 ATOM 1818 CE1 HIS 108 -5.877 6.558 -16.891 1.00 2.30 ATOM 1819 HE1 HIS 108 -5.617 6.573 -17.939 1.00 50.24 ATOM 1820 NE2 HIS 108 -5.102 6.950 -15.900 1.00 31.23 ATOM 1821 HE2 HIS 108 -4.307 7.513 -16.013 1.00 38.81 ATOM 1822 C HIS 108 -9.112 8.233 -14.371 1.00 5.44 ATOM 1823 O HIS 108 -9.869 8.043 -15.320 1.00 4.22 ATOM 1824 N HIS 109 -8.550 9.416 -14.131 1.00 0.25 ATOM 1825 HN HIS 109 -8.049 9.545 -13.296 1.00 38.81 ATOM 1826 CA HIS 109 -8.679 10.536 -15.071 1.00 12.24 ATOM 1827 HA HIS 109 -9.718 10.603 -15.365 1.00 51.30 ATOM 1828 CB HIS 109 -8.262 11.855 -14.402 1.00 73.11 ATOM 1829 HB1 HIS 109 -8.857 12.000 -13.511 1.00 38.81 ATOM 1830 HB2 HIS 109 -8.449 12.670 -15.086 1.00 62.25 ATOM 1831 CG HIS 109 -6.811 11.909 -14.005 1.00 71.41 ATOM 1832 ND1 HIS 109 -6.363 11.594 -12.741 1.00 42.32 ATOM 1833 HD1 HIS 109 -6.928 11.325 -11.981 1.00 30.04 ATOM 1834 CD2 HIS 109 -5.703 12.247 -14.716 1.00 3.45 ATOM 1835 HD2 HIS 109 -5.673 12.555 -15.751 1.00 34.50 ATOM 1836 CE1 HIS 109 -5.054 11.733 -12.688 1.00 1.24 ATOM 1837 HE1 HIS 109 -4.434 11.555 -11.822 1.00 70.22 ATOM 1838 NE2 HIS 109 -4.629 12.126 -13.869 1.00 71.11 ATOM 1839 HE2 HIS 109 -3.706 12.384 -14.079 1.00 38.81 ATOM 1840 C HIS 109 -7.823 10.298 -16.323 1.00 12.45 ATOM 1841 O HIS 109 -6.832 9.569 -16.274 1.00 10.14 ATOM 1842 N HIS 110 -8.200 10.921 -17.435 1.00 62.11 ATOM 1843 HN HIS 110 -9.016 11.468 -17.424 1.00 38.81 ATOM 1844 HA HIS 110 -7.179 9.752 -18.804 1.00 23.20 ATOM 1845 CB HIS 110 -8.313 11.220 -19.874 1.00 71.51 ATOM 1846 HB1 HIS 110 -8.570 12.265 -19.770 1.00 38.81 ATOM 1847 HB2 HIS 110 -9.220 10.632 -19.872 1.00 44.52 ATOM 1848 CG HIS 110 -7.651 11.035 -21.206 1.00 52.12 ATOM 1849 ND1 HIS 110 -6.824 11.980 -21.777 1.00 30.15 ATOM 1850 HD1 HIS 110 -6.579 12.845 -21.383 1.00 54.52 ATOM 1851 CD2 HIS 110 -7.695 10.005 -22.082 1.00 61.13 ATOM 1852 HD2 HIS 110 -8.247 9.084 -21.960 1.00 61.40 ATOM 1853 CE1 HIS 110 -6.395 11.541 -22.941 1.00 41.13 ATOM 1854 HE1 HIS 110 -5.732 12.070 -23.610 1.00 13.22 ATOM 1855 NE2 HIS 110 -6.907 10.347 -23.150 1.00 61.24 ATOM 1856 HE2 HIS 110 -6.615 9.730 -23.854 1.00 38.81 ATOM 1857 CA HIS 110 -7.438 10.796 -18.685 1.00 31.55 ATOM 1858 C HIS 110 -6.133 11.628 -18.649 1.00 54.51 ATOM 1859 OT1 HIS 110 -5.075 11.073 -18.274 1.00 38.81 ATOM 1860 OT2 HIS 110 -6.169 12.826 -19.007 1.00 38.81 ATOM 1861 OH2 TIP3 1 -5.559 -5.575 -7.690 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 1 -5.716 -5.759 -6.736 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 1 -5.655 -6.452 -8.119 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 2 -10.929 3.477 -29.221 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 2 -11.603 3.482 -28.509 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 2 -11.155 2.714 -29.756 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 3 -10.499 6.458 -26.588 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 3 -10.445 7.399 -26.796 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 3 -10.096 6.015 -27.373 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 4 -12.810 3.577 -27.196 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 4 -12.728 4.256 -26.492 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 4 -13.760 3.462 -27.302 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 5 -9.518 7.275 -23.292 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 5 -8.958 7.757 -23.929 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 5 -9.420 6.337 -23.554 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 6 -10.376 5.288 -16.779 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 6 -10.102 4.364 -16.705 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 6 -11.039 5.398 -16.078 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 7 -4.223 1.409 -20.032 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 7 -3.929 1.834 -20.865 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 7 -5.018 0.890 -20.294 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 8 -12.519 5.335 -25.051 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 8 -11.864 5.920 -25.491 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 8 -12.906 5.892 -24.347 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 9 -10.693 -1.316 -19.513 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 9 -10.839 -1.780 -20.343 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 9 -11.155 -1.879 -18.838 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 10 -10.747 2.925 -19.983 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 10 -11.542 3.384 -20.279 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 10 -10.036 3.602 -20.066 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 11 -9.074 6.870 -18.550 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 11 -9.614 6.290 -17.965 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 11 -9.510 7.745 -18.479 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 12 -10.748 8.812 -17.622 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 12 -11.583 9.239 -17.369 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 12 -10.421 8.417 -16.787 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 13 -8.828 4.853 -20.388 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 13 -8.197 5.065 -21.089 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 13 -8.916 5.696 -19.881 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 14 -12.102 -2.609 -17.628 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 14 -11.860 -3.291 -16.961 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 14 -12.695 -2.005 -17.145 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 15 -13.897 7.158 -23.131 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 15 -14.393 7.684 -23.767 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 15 -14.519 7.056 -22.371 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 16 -9.151 4.923 -24.688 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 16 -9.586 5.406 -25.420 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 16 -9.670 4.094 -24.609 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 17 -11.571 0.960 -18.213 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 17 -11.228 0.159 -18.668 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 17 -11.307 1.699 -18.803 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 18 -8.232 -0.882 -18.377 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 18 -9.075 -1.014 -18.861 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 18 -8.413 -1.254 -17.481 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 19 -7.910 8.547 -25.156 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 19 -7.870 8.185 -26.073 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 19 -8.518 9.327 -25.236 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 20 -14.565 9.104 -14.827 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 20 -15.390 9.296 -15.322 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 20 -14.660 8.165 -14.563 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 21 -11.756 10.701 -20.559 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 21 -11.679 9.914 -21.140 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 21 -11.421 11.438 -21.112 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 22 -11.695 8.721 -22.499 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 22 -12.447 8.099 -22.599 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 22 -10.901 8.171 -22.699 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 23 -5.172 7.266 -28.852 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 23 -4.247 7.202 -29.114 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 23 -5.474 8.106 -29.239 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 24 -23.014 10.430 -10.548 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 24 -23.394 11.306 -10.671 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 24 -23.761 9.831 -10.643 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 25 -5.796 -6.416 -5.115 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 25 -6.369 -7.031 -4.616 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 25 -4.898 -6.575 -4.748 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 26 -10.297 -0.451 -8.988 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 26 -10.501 -0.101 -9.871 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 26 -10.227 -1.401 -9.123 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 27 -9.092 -3.107 -11.214 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 27 -8.363 -3.284 -10.579 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 27 -9.501 -3.985 -11.351 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 28 -15.731 -0.486 -6.699 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 28 -15.828 -1.441 -6.607 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 28 -14.821 -0.372 -7.066 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 29 -9.331 -6.294 -4.045 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 29 -9.377 -5.439 -3.555 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 29 -9.923 -6.167 -4.791 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 30 -16.765 5.451 -3.987 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 30 -16.732 4.562 -3.572 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 30 -16.652 6.072 -3.232 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 31 -7.171 -4.308 -9.590 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 31 -6.562 -4.569 -10.318 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 31 -6.709 -4.607 -8.777 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 32 -19.288 6.536 -2.414 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 32 -18.413 6.633 -2.008 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 32 -19.291 5.634 -2.769 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 33 -9.434 3.996 -5.088 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 33 -9.415 4.960 -5.082 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 33 -8.908 3.743 -4.297 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 34 -15.691 3.917 -13.765 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 34 -15.805 3.872 -12.792 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 34 -14.804 3.523 -13.920 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 35 -6.240 1.550 -4.261 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 35 -6.274 2.289 -4.898 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 35 -6.067 1.985 -3.403 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 36 -11.144 0.191 -2.279 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 36 -10.899 0.998 -1.785 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 36 -10.376 -0.401 -2.164 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 37 -17.833 1.240 -7.057 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 37 -17.174 0.518 -6.978 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 37 -18.650 0.851 -6.730 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 38 -16.896 7.126 -6.199 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 38 -17.861 7.207 -6.371 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 38 -16.845 6.654 -5.342 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 39 -17.297 2.897 -2.987 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 39 -16.778 2.279 -3.562 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 39 -17.322 2.453 -2.131 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 40 -14.731 8.157 -0.090 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 40 -14.625 9.019 -0.562 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 40 -14.979 8.409 0.807 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 41 -13.340 3.010 -14.792 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 41 -12.502 2.516 -14.956 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 41 -13.909 2.772 -15.549 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 42 -16.543 7.264 -1.966 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 42 -16.002 7.474 -1.174 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 42 -16.968 8.129 -2.204 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 43 -11.038 1.825 -15.646 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 43 -10.100 2.112 -15.537 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 43 -11.088 1.519 -16.578 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 44 -15.731 2.620 -16.262 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 44 -15.935 3.103 -15.434 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 44 -16.545 2.668 -16.770 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 45 -13.024 -1.220 -10.435 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 45 -12.214 -1.057 -10.966 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 45 -13.673 -1.512 -11.080 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 46 -13.180 1.067 -3.887 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 46 -12.754 1.942 -3.845 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 46 -12.584 0.489 -3.356 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 47 -5.399 8.989 -2.384 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 47 -5.891 9.823 -2.264 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 47 -5.724 8.644 -3.258 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 48 -13.226 -0.393 -7.874 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 48 -13.200 -0.709 -8.811 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 48 -12.303 -0.442 -7.585 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 49 -18.790 5.918 -9.727 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 49 -18.481 5.092 -10.119 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 49 -17.967 6.371 -9.437 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 50 -11.754 3.452 -3.615 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 50 -10.970 3.498 -4.201 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 50 -11.396 3.112 -2.764 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 51 -9.772 -5.115 -13.666 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 51 -8.819 -5.157 -13.874 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 51 -9.846 -5.575 -12.810 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 52 -12.701 6.250 -0.177 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 52 -12.959 5.730 -0.945 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 52 -13.417 6.910 -0.084 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 53 -13.415 -0.364 -16.546 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 53 -14.242 0.133 -16.515 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 53 -12.838 0.166 -17.136 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 54 -19.248 4.366 -4.331 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 54 -18.438 4.881 -4.507 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 54 -18.922 3.556 -3.896 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 55 -18.187 7.942 -14.259 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 55 -18.548 7.065 -14.418 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 55 -18.477 8.158 -13.347 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 56 -12.634 6.050 -3.596 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 56 -11.765 6.484 -3.441 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 56 -12.422 5.091 -3.613 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 57 -7.867 6.286 -1.512 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 57 -7.478 6.896 -0.851 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 57 -7.672 6.718 -2.384 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 58 -21.271 5.737 -5.503 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 58 -20.608 5.152 -5.067 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 58 -22.110 5.284 -5.367 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 59 -15.534 4.395 -11.041 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 59 -15.654 5.354 -11.157 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 59 -14.612 4.303 -10.719 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 60 -17.439 9.628 -2.906 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 60 -18.244 9.980 -3.317 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 60 -16.714 10.107 -3.350 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 61 -18.941 7.972 -11.609 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 61 -19.505 8.682 -11.227 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 61 -19.118 7.199 -11.036 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 62 -12.316 5.498 -14.095 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 62 -12.597 4.571 -14.240 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 62 -13.152 6.004 -14.115 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 63 -14.506 7.965 -3.771 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 63 -13.793 7.302 -3.612 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 63 -15.207 7.713 -3.142 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 64 -16.199 7.112 -11.503 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 64 -16.171 7.303 -10.540 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 64 -17.059 7.481 -11.791 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 65 -17.765 9.895 -9.117 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 65 -18.317 9.978 -8.310 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 65 -18.406 9.971 -9.847 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 66 -16.951 9.391 -16.228 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 66 -17.483 10.193 -16.213 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 66 -17.389 8.799 -15.572 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 67 -9.530 5.878 2.990 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 67 -8.655 6.240 2.689 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 67 -10.016 6.655 3.284 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 68 -14.868 6.558 -13.820 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 68 -15.371 6.852 -13.031 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 68 -15.244 5.675 -14.024 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 69 -10.667 4.557 0.768 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 69 -10.276 4.969 1.561 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 69 -11.363 5.186 0.490 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 70 -8.489 2.761 -15.586 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 70 -7.664 2.317 -15.291 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 70 -8.233 3.211 -16.417 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 71 -15.817 1.186 -4.433 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 71 -15.861 0.562 -5.180 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 71 -14.885 1.107 -4.112 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 72 -10.453 2.695 -1.235 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 72 -10.613 3.267 -0.450 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 72 -9.629 3.054 -1.627 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 73 -15.842 11.757 -11.306 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 73 -15.477 11.091 -10.688 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 73 -16.085 12.498 -10.734 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 74 -7.920 3.786 3.789 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 74 -8.580 4.483 3.571 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 74 -8.122 3.546 4.701 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 75 -11.396 6.603 -6.827 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 75 -12.289 6.984 -6.710 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 75 -10.800 7.324 -6.592 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 76 -10.714 -0.951 -11.865 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 76 -10.180 -1.769 -11.818 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 76 -10.896 -0.836 -12.827 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 77 -8.344 3.831 -2.550 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 77 -8.244 4.723 -2.139 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 77 -7.470 3.408 -2.412 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 78 -4.294 -0.933 -0.756 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 78 -3.584 -1.023 -0.091 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 78 -4.775 -0.126 -0.479 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 79 -11.363 -0.659 -14.569 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 79 -11.191 0.275 -14.815 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 79 -12.185 -0.879 -15.043 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 80 -7.356 -8.019 -3.410 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 80 -7.796 -8.591 -2.772 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 80 -8.055 -7.363 -3.664 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 81 -9.292 -3.742 -3.107 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 81 -9.366 -2.888 -2.647 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 81 -8.414 -3.705 -3.543 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 82 -9.131 -5.898 -11.030 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 82 -8.647 -6.750 -11.131 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 82 -8.689 -5.468 -10.279 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 83 -11.579 -4.468 -15.653 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 83 -10.883 -4.568 -14.965 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 83 -11.989 -5.335 -15.696 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 84 -20.454 8.119 -4.272 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 84 -20.918 7.413 -4.761 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 84 -20.077 7.655 -3.488 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 85 -14.647 10.529 -1.468 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 85 -14.668 11.460 -1.221 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 85 -14.786 10.535 -2.436 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 86 -15.147 10.572 -4.241 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 86 -15.218 10.890 -5.170 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 86 -14.940 9.614 -4.329 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 87 -19.645 10.647 -4.428 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 87 -20.300 11.156 -3.932 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 87 -19.955 9.706 -4.338 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 88 -15.674 11.518 -6.918 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 88 -15.452 12.188 -7.598 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 88 -16.497 11.853 -6.514 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 89 -11.712 10.622 -7.068 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 89 -11.903 10.728 -6.114 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 89 -11.975 11.481 -7.459 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 90 -20.417 9.689 -10.026 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 90 -21.320 9.965 -10.304 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 90 -20.433 9.771 -9.055 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 91 -19.485 6.971 -7.186 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 91 -19.503 6.577 -8.083 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 91 -20.195 6.495 -6.699 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 92 -5.408 -5.056 -11.515 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 92 -5.050 -5.967 -11.619 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 92 -4.628 -4.522 -11.238 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 93 -12.832 10.311 -16.507 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 93 -13.426 10.297 -17.292 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 93 -13.357 9.860 -15.804 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 94 -10.186 7.137 -2.951 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 94 -9.341 7.314 -3.439 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 94 -9.892 6.705 -2.130 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 95 -7.126 6.761 2.246 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 95 -6.873 7.237 1.428 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 95 -6.338 6.225 2.465 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 96 -6.520 8.198 -0.034 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 96 -5.979 8.276 -0.853 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 96 -6.340 9.030 0.445 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 97 -7.580 2.259 1.523 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 97 -8.423 2.370 1.066 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 97 -7.687 2.771 2.351 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 98 -11.955 11.026 -23.994 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 98 -11.976 10.166 -23.524 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 98 -12.747 11.505 -23.650 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 99 -4.715 18.896 -24.803 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 99 -5.105 18.293 -25.471 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 99 -5.119 19.748 -24.987 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 100 -9.768 22.296 -21.590 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 100 -10.042 22.519 -20.698 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 100 -10.089 23.022 -22.127 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 101 -12.962 14.615 -21.189 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 101 -12.095 14.974 -20.944 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 101 -13.276 14.172 -20.375 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 102 -16.139 8.712 -18.954 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 102 -16.475 8.845 -18.048 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 102 -15.351 9.293 -19.002 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 103 -13.659 13.168 -18.957 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 103 -14.197 13.656 -18.287 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 103 -12.797 13.041 -18.525 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 104 -13.821 12.373 -22.522 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 104 -13.494 13.262 -22.256 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 104 -14.466 12.150 -21.846 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 105 -14.007 10.446 -18.981 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 105 -14.152 11.416 -18.991 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 105 -13.265 10.314 -19.609 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 106 -10.432 14.373 -17.565 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 106 -10.723 13.441 -17.649 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 106 -10.316 14.666 -18.491 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 107 -15.192 14.506 -17.153 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 107 -15.167 14.562 -16.175 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 107 -15.764 15.233 -17.416 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 108 -11.259 11.889 -18.115 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 108 -11.330 11.434 -18.986 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 108 -11.744 11.303 -17.500 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 109 -15.096 14.840 -14.419 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 109 -15.635 15.207 -13.707 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 109 -14.171 15.018 -14.136 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 110 -5.957 17.945 -16.683 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 110 -5.349 18.142 -17.429 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 110 -5.389 17.501 -16.019 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 111 -8.435 17.354 -15.951 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 111 -8.972 17.573 -16.722 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 111 -7.510 17.592 -16.227 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 112 -10.477 12.540 -22.242 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 112 -10.961 12.161 -23.006 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 112 -9.795 13.122 -22.655 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 113 -10.181 14.490 -20.285 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 113 -9.238 14.697 -20.425 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 113 -10.368 13.777 -20.931 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 114 -8.954 13.179 -25.932 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 114 -8.218 13.759 -25.649 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 114 -9.648 13.791 -26.195 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 115 -9.609 10.605 -25.384 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 115 -9.338 11.498 -25.703 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 115 -10.496 10.752 -24.994 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 116 -16.004 7.258 -21.299 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 116 -15.960 7.759 -20.451 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 116 -16.919 6.967 -21.351 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 117 -9.629 10.758 -8.888 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 117 -9.156 11.596 -8.686 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 117 -10.158 10.583 -8.080 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 118 -4.211 12.566 -8.940 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 118 -3.827 12.215 -8.105 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 118 -4.511 11.763 -9.419 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 119 -10.477 15.273 -8.128 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 119 -10.870 15.707 -7.359 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 119 -10.447 15.962 -8.803 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 120 -15.665 13.783 -4.548 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 120 -16.435 13.274 -4.870 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 120 -16.040 14.613 -4.247 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 121 -15.070 10.018 -9.270 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 121 -16.049 10.017 -9.193 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 121 -14.768 10.347 -8.407 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 122 -17.940 12.506 -5.617 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 122 -18.448 11.790 -5.180 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 122 -18.556 12.873 -6.262 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 123 -14.615 12.194 -13.663 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 123 -15.168 12.075 -12.853 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 123 -14.995 12.980 -14.096 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 124 -12.557 15.138 -13.364 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 124 -11.969 15.887 -13.129 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 124 -11.979 14.528 -13.861 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 125 -14.387 14.893 -11.207 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 125 -13.701 14.823 -11.901 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 125 -14.424 15.832 -11.005 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 126 -13.017 13.764 -5.405 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 126 -13.947 13.845 -5.103 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 126 -12.690 12.958 -4.953 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 127 -12.438 11.256 -4.404 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 127 -13.361 11.027 -4.194 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 127 -11.910 10.775 -3.726 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 128 -12.023 12.243 -14.460 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 128 -12.951 12.349 -14.169 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 128 -12.086 11.673 -15.244 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 129 -9.130 15.039 -12.479 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 129 -9.786 15.711 -12.221 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 129 -9.339 14.855 -13.426 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 130 -7.401 17.061 -13.379 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 130 -7.799 17.209 -14.264 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 130 -7.858 16.265 -13.040 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 131 -12.320 13.170 -7.917 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 131 -11.590 13.776 -8.148 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 131 -12.586 13.450 -7.005 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 132 -19.683 9.712 -7.174 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 132 -19.771 10.020 -6.256 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 132 -19.704 8.732 -7.101 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 133 -8.811 18.897 -11.890 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 133 -8.150 18.315 -12.322 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 133 -8.423 19.775 -11.943 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 134 -10.851 17.260 -12.695 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 134 -10.833 17.621 -13.591 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 134 -10.282 17.876 -12.180 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 135 -9.693 15.118 -15.089 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 135 -10.058 14.711 -15.909 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 135 -9.172 15.879 -15.419 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 136 -8.604 13.274 -8.484 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 136 -9.225 13.992 -8.248 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 136 -7.718 13.631 -8.238 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 137 -8.264 12.778 -11.110 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 137 -8.365 12.976 -10.156 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 137 -8.547 13.601 -11.557 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 138 -3.051 9.830 -3.482 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 138 -3.317 10.750 -3.671 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 138 -3.804 9.462 -2.968 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 139 -11.173 9.716 -2.506 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 139 -10.776 8.870 -2.796 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 139 -11.595 9.502 -1.670 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 140 -14.061 7.253 -6.359 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 140 -14.011 7.621 -5.451 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 140 -15.002 7.351 -6.597 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 141 -16.686 7.395 -8.861 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 141 -16.990 8.321 -9.000 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 141 -16.673 7.296 -7.884 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 142 -14.855 13.282 -8.988 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 142 -13.947 13.204 -8.622 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 142 -14.741 13.842 -9.786 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 143 7.872 -11.399 -24.814 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 143 7.126 -10.830 -25.028 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 143 7.486 -12.305 -24.792 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 144 8.370 -17.769 -22.423 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 144 7.784 -16.991 -22.293 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 144 8.477 -17.830 -23.405 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 145 5.446 -16.813 -17.166 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 145 5.615 -17.163 -18.072 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 145 5.092 -15.920 -17.318 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 146 8.696 -10.079 -19.328 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 146 8.459 -9.666 -20.191 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 146 9.535 -9.629 -19.076 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 147 5.915 -10.122 -20.001 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 147 6.756 -10.257 -19.537 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 147 5.439 -10.946 -19.876 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 148 9.171 -19.459 -17.953 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 148 9.980 -18.948 -18.159 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 148 8.705 -19.523 -18.809 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 149 0.069 -13.088 -14.585 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 149 0.797 -13.687 -14.317 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 149 -0.373 -12.868 -13.749 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 150 9.366 -13.844 -22.875 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 150 9.752 -14.692 -22.566 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 150 9.175 -13.352 -22.041 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 151 4.844 -13.934 -17.340 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 151 5.452 -13.767 -16.580 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 151 3.979 -13.637 -17.016 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 152 6.827 -15.610 -21.730 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 152 6.824 -15.039 -20.934 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 152 6.540 -15.024 -22.446 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 153 8.887 -12.675 -20.446 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 153 8.170 -13.196 -20.029 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 153 8.883 -11.830 -19.956 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 154 9.708 -10.586 -22.819 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 154 9.088 -10.003 -22.328 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 154 9.156 -10.967 -23.532 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 155 3.630 -12.842 -14.879 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 155 4.587 -13.047 -14.807 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 155 3.208 -13.409 -14.195 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 156 6.527 -11.620 -12.198 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 156 6.413 -11.773 -13.146 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 156 7.267 -12.198 -11.951 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 157 4.525 -17.737 -14.671 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 157 4.707 -17.702 -15.630 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 157 5.151 -17.089 -14.290 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 158 6.818 -14.145 -19.302 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 158 6.002 -13.971 -18.783 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 158 7.329 -14.766 -18.736 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 159 11.242 -8.216 -22.613 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 159 10.582 -7.516 -22.420 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 159 10.713 -9.032 -22.674 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 160 7.378 -14.087 -24.707 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 160 7.714 -14.660 -25.426 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 160 8.092 -14.105 -24.035 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 161 10.003 -15.910 -19.240 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 161 9.237 -15.866 -18.624 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 161 10.520 -16.688 -18.921 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 162 7.976 -19.583 -20.457 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 162 8.240 -18.983 -21.195 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 162 7.825 -20.430 -20.885 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 163 3.437 -8.956 -15.976 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 163 2.771 -9.677 -15.923 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 163 2.964 -8.228 -16.436 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 164 5.990 -7.864 -15.903 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 164 5.157 -8.385 -15.926 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 164 6.357 -8.036 -15.017 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 165 8.030 -8.818 -21.599 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 165 7.074 -8.738 -21.439 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 165 8.312 -7.909 -21.850 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 166 9.196 -6.376 -22.091 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 166 8.999 -6.097 -21.168 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 166 9.229 -5.534 -22.588 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 167 5.344 -13.822 -8.015 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 167 6.013 -14.447 -8.361 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 167 4.689 -13.743 -8.743 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 168 5.304 -16.702 -5.064 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 168 6.108 -16.768 -4.518 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 168 5.104 -15.745 -5.078 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 169 0.618 -14.149 -5.065 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 169 0.832 -14.517 -5.935 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 169 0.298 -13.237 -5.260 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 170 0.283 -17.421 -6.376 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 170 0.163 -17.747 -5.481 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 170 1.252 -17.475 -6.522 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 171 5.113 -18.173 -11.170 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 171 4.956 -19.053 -11.532 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 171 6.044 -17.990 -11.385 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 172 4.803 -11.211 -7.284 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 172 5.254 -11.998 -7.653 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 172 5.006 -11.245 -6.331 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 173 -2.184 -16.297 -7.021 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 173 -2.175 -15.919 -6.109 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 173 -1.334 -16.786 -7.080 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 174 -1.883 -15.178 -4.595 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 174 -2.280 -14.568 -3.944 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 174 -0.948 -14.894 -4.649 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 175 3.634 -13.367 -10.126 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 175 2.695 -13.597 -10.265 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 175 3.724 -12.473 -10.539 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 176 6.258 -17.505 -19.662 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 176 6.440 -16.974 -20.457 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 176 6.776 -18.324 -19.796 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 177 12.295 -15.839 -4.990 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 177 11.336 -16.002 -5.109 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 177 12.614 -16.634 -4.519 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 178 5.955 -14.562 -11.193 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 178 5.127 -14.152 -10.866 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 178 6.280 -15.090 -10.431 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 179 7.644 -16.110 -3.527 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 179 8.234 -16.347 -2.785 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 179 7.153 -15.327 -3.198 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 180 -4.937 -16.006 -7.007 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 180 -3.992 -16.262 -7.027 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 180 -5.400 -16.826 -6.831 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 181 -0.847 -12.845 -1.244 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 181 -1.679 -13.052 -1.724 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 181 -0.158 -12.958 -1.909 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 182 6.057 -15.743 -13.611 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 182 5.751 -15.282 -12.801 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 182 6.227 -15.013 -14.253 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 183 -3.005 -13.300 -2.887 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 183 -3.929 -13.571 -2.838 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 183 -3.031 -12.452 -3.399 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 184 -2.957 -11.770 -9.908 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 184 -2.312 -12.045 -10.589 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 184 -3.132 -12.587 -9.400 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 185 7.582 -18.753 5.679 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 185 8.281 -19.272 6.074 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 185 8.040 -17.980 5.298 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 186 8.007 -15.757 -17.415 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 186 7.304 -16.414 -17.227 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 186 8.135 -15.295 -16.558 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 187 3.046 -17.551 -6.455 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 187 3.764 -17.312 -5.827 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 187 3.512 -17.849 -7.240 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 188 6.869 -10.944 -1.139 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 188 6.053 -11.043 -1.666 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 188 6.581 -11.124 -0.224 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 189 2.060 -14.313 -13.098 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 189 1.688 -14.041 -12.241 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 189 2.364 -15.240 -12.945 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 190 6.579 -13.947 -2.218 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 190 6.351 -14.300 -1.325 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 190 5.895 -13.269 -2.385 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 191 2.902 -13.788 -3.456 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 191 2.049 -14.005 -3.877 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 191 3.560 -13.926 -4.168 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 192 -3.176 -13.954 -8.112 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 192 -4.082 -14.126 -7.803 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 192 -2.702 -14.793 -7.924 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 193 3.987 -10.981 -11.357 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 193 4.935 -11.185 -11.513 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 193 3.761 -10.353 -12.076 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 194 7.704 -17.502 -12.281 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 194 8.325 -17.646 -13.025 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 194 7.025 -16.903 -12.657 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 195 4.935 -13.951 -5.309 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 195 5.079 -13.957 -6.283 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 195 5.344 -13.113 -5.013 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 196 3.089 -16.772 -12.539 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 196 3.659 -17.186 -11.862 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 196 3.367 -17.201 -13.377 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 197 8.364 -13.918 -12.307 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 197 7.487 -14.189 -11.953 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 197 8.280 -14.040 -13.281 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 198 -0.286 -11.631 -5.571 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 198 -0.977 -11.002 -5.849 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 198 0.206 -11.149 -4.867 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 199 1.707 -11.001 -15.416 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 199 2.505 -11.551 -15.233 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 199 0.969 -11.641 -15.373 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 200 -1.286 -12.135 -12.167 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 200 -2.035 -12.234 -12.800 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 200 -0.832 -11.307 -12.463 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 201 1.755 -8.840 -11.330 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 201 2.461 -8.730 -12.002 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 201 2.141 -9.444 -10.680 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 202 0.794 -13.267 -10.602 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 202 0.072 -12.918 -11.167 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 202 0.363 -13.408 -9.727 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 203 9.504 -16.616 -8.208 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 203 10.421 -16.263 -8.129 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 203 9.570 -17.298 -8.912 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 204 -2.698 -12.360 -14.516 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 204 -3.245 -11.945 -15.188 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 204 -1.893 -12.629 -14.992 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 205 -3.557 -9.149 -9.987 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 205 -2.645 -8.830 -10.140 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 205 -3.470 -10.135 -10.004 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 206 0.188 -9.652 -0.921 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 206 -0.662 -9.218 -0.779 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 206 0.206 -10.370 -0.253 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 207 3.662 -9.030 -13.252 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 207 3.592 -9.101 -14.226 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 207 4.120 -8.167 -13.110 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 208 -0.044 -11.615 1.010 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 208 -0.501 -12.106 0.283 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 208 0.606 -12.245 1.345 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 209 4.990 -13.379 2.299 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 209 5.769 -13.176 2.859 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 209 4.324 -13.722 2.938 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 210 10.986 -14.153 -15.845 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 210 11.073 -13.447 -16.503 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 210 10.043 -14.120 -15.574 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 211 6.531 -14.679 0.397 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 211 5.903 -14.163 0.948 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 211 6.889 -15.349 1.014 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 212 0.158 -10.102 -13.236 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 212 0.688 -10.218 -14.047 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 212 0.725 -9.563 -12.655 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 213 -7.245 -7.867 -10.925 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 213 -6.869 -8.048 -10.043 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 213 -6.469 -7.861 -11.517 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 214 -5.717 -8.188 -8.575 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 214 -5.790 -8.753 -7.796 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 214 -4.900 -8.503 -9.026 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 215 9.333 -17.041 -14.469 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 215 8.910 -16.196 -14.713 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 215 10.174 -17.044 -14.981 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 216 9.611 -19.732 -15.303 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 216 9.360 -19.795 -16.253 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 216 9.243 -18.881 -15.018 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 217 6.959 -15.885 -9.026 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 217 6.558 -16.747 -8.852 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 217 7.890 -15.989 -8.725 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 218 7.385 -16.480 2.367 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 218 7.881 -16.628 3.203 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 218 6.620 -17.062 2.441 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 219 9.536 -18.381 -10.351 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 219 10.362 -18.384 -10.884 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 219 8.832 -18.180 -11.003 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 220 9.692 -16.698 -5.394 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 220 8.835 -16.490 -4.967 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 220 9.476 -16.763 -6.347 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 221 9.392 -16.324 -1.331 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 221 9.348 -16.812 -0.499 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 221 9.939 -16.902 -1.921 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 222 -3.303 -11.031 -4.321 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 222 -3.000 -10.574 -5.121 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 222 -3.867 -10.366 -3.864 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 223 -3.398 -6.799 -3.832 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 223 -2.512 -7.190 -4.004 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 223 -3.216 -6.049 -3.224 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 224 -1.098 -8.194 -4.411 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 224 -0.365 -8.739 -4.050 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 224 -1.456 -8.731 -5.138 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 225 -0.535 -13.139 -8.153 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 225 -0.396 -12.567 -7.380 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 225 -1.486 -13.367 -8.113 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 226 0.644 -5.247 -15.711 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 226 1.233 -5.878 -16.171 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 226 0.547 -5.620 -14.809 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 227 9.928 -10.317 1.681 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 227 9.616 -9.873 0.856 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 227 10.657 -9.744 1.999 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 228 3.839 -8.745 1.625 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 228 3.377 -8.390 0.836 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 228 4.254 -9.579 1.301 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 229 2.648 -6.793 3.107 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 229 1.770 -7.077 2.806 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 229 3.261 -7.433 2.686 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 230 3.592 -14.190 4.499 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 230 3.435 -13.374 5.018 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 230 3.692 -14.877 5.162 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 231 5.816 -10.992 5.443 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 231 5.556 -10.107 5.168 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 231 4.980 -11.404 5.741 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 232 10.449 -9.632 4.841 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 232 9.518 -9.447 4.673 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 232 10.922 -9.158 4.121 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 233 7.154 -12.860 3.966 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 233 7.693 -13.397 4.585 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 233 6.743 -12.173 4.542 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 234 8.959 -9.273 -0.624 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 234 8.930 -8.520 -1.221 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 234 8.187 -9.825 -0.892 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 235 8.592 -14.222 5.932 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 235 8.317 -14.010 6.829 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 235 9.578 -14.178 5.964 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 236 4.641 -11.152 0.664 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 236 4.691 -11.948 1.235 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 236 4.366 -11.500 -0.208 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 237 3.214 -11.855 5.907 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 237 3.046 -11.236 5.151 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 237 2.512 -11.653 6.535 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 238 2.797 -10.107 3.894 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 238 1.859 -9.916 3.662 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 238 3.306 -9.698 3.169 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 239 0.842 -9.982 -3.592 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 239 1.824 -9.811 -3.605 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 239 0.614 -9.961 -2.639 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 240 7.825 -12.107 1.426 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 240 7.584 -12.402 2.329 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 240 8.457 -11.379 1.574 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 241 4.362 -11.923 -2.064 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 241 3.765 -12.606 -2.451 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 241 4.062 -11.078 -2.493 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 242 9.546 -14.881 1.554 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 242 8.868 -15.393 2.030 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 242 9.848 -14.217 2.205 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 243 0.312 -9.599 2.865 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 243 0.052 -10.312 2.248 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 243 0.190 -8.777 2.347 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 244 12.117 -11.711 5.210 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 244 11.496 -10.941 5.185 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 244 12.363 -11.784 6.141 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 245 10.644 -12.683 2.950 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 245 10.318 -11.868 2.515 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 245 11.080 -12.362 3.761 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 246 11.277 -14.375 5.806 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 246 11.814 -13.677 5.399 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 246 11.545 -15.188 5.335 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 247 2.197 -7.829 -0.518 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 247 1.624 -8.585 -0.768 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 247 2.582 -7.529 -1.376 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 248 -8.838 1.387 -21.376 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 248 -9.067 1.674 -22.267 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 248 -9.530 1.782 -20.812 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 249 6.897 -3.358 -24.293 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 249 7.697 -3.616 -23.784 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 249 6.412 -2.787 -23.692 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 250 -3.570 2.577 -22.476 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 250 -4.133 3.384 -22.603 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 250 -3.797 2.014 -23.226 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 251 11.155 -2.479 -24.274 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 251 11.465 -2.492 -25.204 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 251 11.791 -3.049 -23.800 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 252 8.772 2.414 -18.973 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 252 8.954 3.334 -18.721 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 252 7.824 2.297 -18.771 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 253 9.265 -2.974 -20.054 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 253 8.618 -2.493 -19.515 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 253 9.069 -3.920 -19.876 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 254 4.984 -1.384 -18.776 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 254 5.888 -1.755 -18.700 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 254 4.413 -2.163 -18.815 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 255 -2.819 5.330 -19.601 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 255 -2.010 5.560 -19.113 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 255 -2.490 5.025 -20.472 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 256 1.318 0.950 -20.162 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 256 0.521 0.444 -20.354 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 256 0.991 1.743 -19.696 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 257 0.031 -2.603 -15.836 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 257 0.221 -3.570 -15.759 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 257 0.140 -2.416 -16.772 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 258 -3.744 9.325 -16.514 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 258 -4.348 9.830 -17.105 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 258 -2.947 9.874 -16.467 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 259 -7.896 3.954 -17.961 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 259 -7.347 3.146 -18.067 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 259 -8.171 4.178 -18.874 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 260 9.952 6.195 -16.839 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 260 10.678 5.748 -17.320 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 260 9.146 5.734 -17.148 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 261 -6.447 4.807 -28.584 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 261 -6.423 4.723 -27.603 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 261 -5.837 5.540 -28.774 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 262 5.826 0.058 -16.505 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 262 5.650 -0.455 -17.317 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 262 5.164 -0.271 -15.873 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 263 -5.579 5.358 -20.161 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 263 -4.689 5.720 -19.986 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 263 -5.668 4.634 -19.513 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 264 7.356 -2.424 -17.835 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 264 6.832 -2.599 -17.011 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 264 8.246 -2.168 -17.503 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 265 3.500 -1.443 -15.445 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 265 4.198 -2.122 -15.623 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 265 2.734 -1.960 -15.157 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 266 5.927 -4.533 -18.931 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 266 5.436 -4.952 -18.193 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 266 6.468 -3.847 -18.498 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 267 8.396 -5.530 -19.635 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 267 8.469 -6.247 -18.963 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 267 7.446 -5.281 -19.611 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 268 6.741 12.060 -15.882 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 268 6.255 11.215 -15.768 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 268 6.033 12.739 -15.925 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 269 -4.559 3.548 -18.341 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 269 -3.809 4.078 -18.672 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 269 -4.427 2.668 -18.745 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 270 10.312 0.187 -19.320 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 270 10.516 -0.034 -20.250 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 270 9.705 0.963 -19.382 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 271 -11.090 2.984 -24.781 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 271 -11.718 3.724 -24.667 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 271 -11.357 2.575 -25.615 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 272 -2.440 -0.331 -18.754 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 272 -2.985 0.374 -19.152 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 272 -3.032 -1.081 -18.695 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 273 2.766 1.118 -16.236 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 273 3.175 1.114 -17.124 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 273 2.949 0.222 -15.884 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 274 11.771 4.509 -18.152 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 274 11.848 3.530 -18.124 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 274 12.096 4.748 -19.034 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 275 -1.560 4.442 -21.855 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 275 -1.602 4.914 -22.694 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 275 -2.064 3.616 -22.020 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 276 1.889 10.497 -18.882 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 276 2.351 10.458 -18.020 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 276 1.417 9.645 -18.936 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 277 7.033 7.360 -19.028 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 277 7.736 7.535 -19.693 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 277 6.286 7.889 -19.333 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 278 7.927 -7.574 -17.904 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 278 7.215 -7.589 -17.231 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 278 8.001 -8.494 -18.192 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 279 2.416 -6.748 -17.251 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 279 3.240 -6.257 -17.016 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 279 2.335 -6.631 -18.203 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 280 9.999 -1.782 -17.384 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 280 10.449 -2.506 -17.839 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 280 10.106 -1.016 -17.991 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 281 12.748 -0.468 -28.894 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 281 12.945 -0.315 -29.824 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 281 11.796 -0.210 -28.806 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 282 -7.716 7.570 -27.695 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 282 -6.800 7.253 -27.826 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 282 -8.272 6.839 -28.047 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 283 -3.769 5.898 -12.407 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 283 -3.451 5.376 -11.639 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 283 -2.962 6.143 -12.875 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 284 0.056 5.425 -19.601 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 284 -0.240 5.097 -20.469 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 284 0.494 4.648 -19.188 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 285 1.115 3.125 -18.451 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 285 0.779 3.094 -17.529 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 285 2.035 2.835 -18.377 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 286 7.725 4.888 -17.866 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 286 7.307 5.653 -18.313 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 286 7.023 4.210 -17.842 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 287 -6.812 1.429 -17.950 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 287 -6.328 1.262 -18.776 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 287 -7.430 0.666 -17.882 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 288 3.731 1.097 -18.868 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 288 4.205 0.243 -18.974 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 288 2.955 1.015 -19.468 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 289 8.193 0.718 -15.177 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 289 8.965 0.718 -15.763 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 289 7.441 0.496 -15.764 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 290 -3.398 0.751 -15.094 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 290 -3.003 0.461 -15.925 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 290 -2.702 1.321 -14.685 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 291 0.318 -5.902 -13.040 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 291 -0.259 -5.206 -12.653 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 291 1.134 -5.858 -12.507 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 292 4.759 -5.529 -16.674 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 292 5.291 -6.277 -16.324 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 292 5.011 -4.766 -16.099 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 293 -3.320 -3.661 -10.425 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 293 -3.079 -4.091 -9.575 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 293 -2.525 -3.790 -10.991 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 294 -2.049 -7.344 -12.671 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 294 -1.303 -6.880 -13.097 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 294 -1.650 -7.757 -11.884 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 295 -6.979 9.509 -29.461 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 295 -7.655 9.339 -30.126 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 295 -7.294 9.018 -28.671 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 296 11.199 7.344 -22.504 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 296 12.084 7.226 -22.910 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 296 10.806 8.090 -23.009 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 297 12.324 6.973 -20.026 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 297 11.926 6.996 -20.921 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 297 13.247 6.677 -20.182 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 298 -6.584 0.121 -20.416 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 298 -7.048 -0.481 -19.797 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 298 -7.316 0.585 -20.885 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 299 11.970 1.745 -17.817 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 299 11.672 1.440 -16.931 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 299 11.391 1.253 -18.441 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 300 10.080 -0.086 -28.788 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 300 9.827 -1.028 -28.647 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 300 9.270 0.402 -28.622 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 301 9.147 -3.632 -22.755 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 301 9.832 -3.184 -23.301 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 301 9.310 -3.299 -21.846 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 302 -9.048 -1.654 -15.925 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 302 -8.603 -2.102 -15.182 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 302 -9.933 -1.441 -15.577 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 303 -5.028 4.810 -22.776 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 303 -5.259 5.591 -23.318 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 303 -5.350 5.040 -21.877 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 304 0.050 9.707 -16.457 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 304 -0.016 9.181 -17.270 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 304 1.007 9.795 -16.309 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 305 2.918 10.117 -16.305 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 305 2.608 10.854 -15.737 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 305 3.781 9.867 -15.921 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 306 -1.778 11.114 -19.668 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 306 -2.383 11.881 -19.770 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 306 -0.899 11.470 -19.911 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 307 -6.623 5.018 -25.902 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 307 -7.434 4.783 -25.412 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 307 -6.147 5.616 -25.299 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 308 -4.107 10.024 -20.705 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 308 -3.158 10.176 -20.542 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 308 -4.533 10.282 -19.863 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 309 7.165 -3.414 -27.015 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 309 7.152 -3.382 -26.031 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 309 6.308 -3.774 -27.249 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 310 9.497 -2.688 -28.223 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 310 9.711 -3.426 -28.842 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 310 8.644 -2.964 -27.808 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 311 -9.098 5.392 -28.667 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 311 -8.198 5.007 -28.787 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 311 -9.705 4.688 -28.998 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 312 4.795 -6.633 -12.924 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 312 5.221 -5.867 -13.387 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 312 5.454 -6.909 -12.250 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 313 7.344 7.809 -16.262 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 313 7.167 7.659 -17.213 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 313 8.279 7.565 -16.156 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 314 -5.757 7.471 -11.105 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 314 -6.265 6.870 -10.524 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 314 -5.086 6.896 -11.521 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 315 7.759 0.959 -12.518 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 315 7.557 1.910 -12.440 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 315 8.025 0.847 -13.463 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 316 -3.144 1.829 -9.907 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 316 -2.238 2.084 -9.643 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 316 -3.131 0.845 -9.883 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 317 4.586 -3.300 -11.795 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 317 3.904 -3.913 -11.467 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 317 4.892 -3.714 -12.638 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 318 -6.783 -1.073 -3.857 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 318 -6.569 -0.126 -4.042 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 318 -7.005 -1.440 -4.723 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 319 -1.039 -3.813 -11.902 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 319 -0.349 -3.408 -11.345 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 319 -1.253 -3.113 -12.569 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 320 -2.891 -4.845 -7.965 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 320 -3.848 -5.035 -7.837 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 320 -2.620 -4.417 -7.140 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 321 -7.895 -2.651 -13.642 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 321 -7.487 -3.518 -13.859 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 321 -8.471 -2.847 -12.874 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 322 -1.811 -7.413 -7.971 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 322 -2.174 -6.504 -7.961 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 322 -1.373 -7.484 -8.838 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 323 -1.555 -1.839 -13.692 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 323 -1.003 -2.065 -14.474 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 323 -1.962 -0.995 -13.925 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 324 0.274 2.834 2.383 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 324 0.729 2.085 2.842 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 324 -0.362 2.396 1.784 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 325 -0.579 -1.227 -9.455 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 325 -0.461 -1.216 -8.497 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 325 0.064 -1.897 -9.769 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 326 4.447 5.557 -11.160 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 326 3.724 6.217 -11.075 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 326 4.982 5.892 -11.904 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 327 -8.716 -1.210 -1.887 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 327 -8.039 -1.131 -2.595 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 327 -8.203 -1.239 -1.072 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 328 3.925 8.921 -0.023 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 328 4.241 9.615 -0.640 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 328 3.923 8.121 -0.555 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 329 6.684 3.768 -12.090 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 329 6.575 4.511 -12.706 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 329 6.020 3.935 -11.403 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 330 -4.959 -2.717 -2.659 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 330 -5.547 -2.130 -3.181 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 330 -4.679 -2.152 -1.899 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 331 -1.012 3.941 -11.997 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 331 -0.563 4.790 -12.221 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 331 -1.682 4.199 -11.325 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 332 -0.355 2.227 -9.895 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 332 -0.189 1.318 -10.176 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 332 -0.454 2.726 -10.731 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 333 2.652 7.660 -11.085 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 333 2.818 8.551 -11.474 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 333 2.115 7.842 -10.294 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 334 1.189 -3.217 -10.305 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 334 1.263 -3.865 -9.566 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 334 1.703 -3.624 -11.023 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 335 -5.992 1.627 -15.295 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 335 -5.061 1.340 -15.169 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 335 -6.126 1.581 -16.266 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 336 -0.715 -3.440 -2.488 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 336 -0.467 -3.576 -3.420 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 336 -1.614 -3.831 -2.425 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 337 -5.695 10.779 0.583 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 337 -4.832 10.293 0.529 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 337 -5.454 11.642 0.937 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 338 2.829 8.016 4.417 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 338 3.256 7.634 5.189 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 338 3.573 8.309 3.849 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 339 0.138 6.379 -12.275 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 339 0.925 6.789 -12.658 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 339 0.157 6.661 -11.337 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 340 7.526 2.690 -0.412 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 340 7.205 3.249 -1.130 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 340 8.124 3.262 0.087 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 341 6.118 6.449 -13.207 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 341 6.103 7.398 -12.928 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 341 6.161 6.491 -14.173 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 342 -3.426 3.152 1.220 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 342 -3.112 4.054 1.444 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 342 -2.605 2.652 1.032 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 343 -1.332 2.245 -14.191 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 343 -1.241 2.828 -13.408 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 343 -0.595 2.513 -14.775 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 344 6.109 2.387 -18.015 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 344 5.270 2.218 -18.485 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 344 6.130 1.698 -17.319 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 345 -5.821 2.981 -1.918 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 345 -5.435 3.793 -1.564 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 345 -5.641 2.307 -1.223 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 346 0.901 3.004 -15.689 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 346 1.507 2.229 -15.780 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 346 1.417 3.650 -15.194 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 347 -1.082 0.600 -2.125 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 347 -1.883 0.268 -2.546 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 347 -1.403 1.088 -1.348 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 348 -1.519 -3.458 0.181 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 348 -0.919 -3.938 0.790 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 348 -1.042 -3.451 -0.670 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 349 0.361 -7.246 1.427 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 349 1.005 -7.394 0.697 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 349 0.237 -6.274 1.440 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 350 3.175 10.190 -12.040 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 350 2.856 11.098 -12.189 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 350 4.146 10.284 -11.991 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 351 -2.271 -1.003 1.115 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 351 -1.988 -1.871 0.750 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 351 -2.578 -1.220 2.029 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 352 -6.832 -4.011 -4.284 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 352 -6.538 -4.862 -4.667 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 352 -6.107 -3.756 -3.685 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 353 -3.167 -0.885 -10.213 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 353 -3.460 -1.813 -10.310 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 353 -2.201 -0.961 -10.036 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 354 -4.656 -7.639 -11.962 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 354 -3.827 -7.492 -12.476 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 354 -4.386 -8.260 -11.254 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 355 4.737 8.739 2.580 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 355 5.253 7.908 2.541 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 355 4.476 8.902 1.643 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 356 4.951 10.487 -2.041 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 356 4.463 11.259 -2.358 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 356 5.406 10.144 -2.844 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 357 -2.133 -9.743 -6.605 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 357 -2.371 -10.306 -7.358 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 357 -1.999 -8.849 -7.010 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 358 -7.000 -5.220 -13.720 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 358 -6.518 -5.147 -12.863 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 358 -6.561 -5.951 -14.172 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 359 -0.816 -8.404 -10.393 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 359 -0.544 -9.072 -9.720 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 359 -0.012 -8.293 -10.945 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 360 2.731 -5.364 -11.618 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 360 3.276 -5.806 -12.306 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 360 3.034 -5.774 -10.782 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 361 -3.133 -4.632 -2.120 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 361 -3.823 -3.998 -2.431 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 361 -3.095 -4.486 -1.162 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 362 -4.789 -9.054 -3.215 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 362 -5.705 -8.717 -3.223 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 362 -4.237 -8.249 -3.296 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 363 -2.999 -2.024 3.492 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 363 -3.731 -1.845 4.087 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 363 -2.576 -2.828 3.866 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 364 8.499 3.024 7.432 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 364 8.361 3.067 8.412 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 364 9.348 2.544 7.334 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 365 7.160 2.427 5.172 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 365 7.375 3.259 4.695 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 365 7.575 2.548 6.056 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 366 8.267 3.276 10.108 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 366 7.699 3.574 10.821 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 366 9.180 3.381 10.468 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 367 7.355 5.591 7.326 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 367 7.603 4.651 7.231 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 367 8.159 6.007 7.709 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 368 -1.975 -4.316 4.576 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 368 -1.760 -4.723 5.420 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 368 -1.580 -4.902 3.920 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 369 1.059 0.093 0.617 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 369 0.638 -0.732 0.896 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 369 1.983 0.009 0.936 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 370 4.527 1.739 5.065 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 370 4.027 2.427 5.543 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 370 5.471 1.967 5.226 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 371 4.038 -0.686 3.798 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 371 4.486 -1.490 4.118 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 371 4.394 0.033 4.366 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 372 4.506 5.532 6.375 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 372 5.086 5.365 7.135 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 372 5.019 6.154 5.822 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 373 6.510 -5.046 2.283 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 373 6.406 -5.834 1.736 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 373 7.378 -4.674 2.011 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 374 6.055 6.266 2.670 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 374 5.711 5.353 2.649 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 374 6.366 6.383 3.592 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 375 6.391 7.200 5.303 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 375 6.855 8.047 5.308 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 375 6.882 6.653 5.960 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 376 8.684 0.180 4.534 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 376 8.230 -0.404 3.879 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 376 8.059 0.924 4.665 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 377 2.943 -4.111 3.129 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 377 3.788 -3.825 3.525 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 377 2.951 -5.095 3.226 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 378 0.529 -4.513 1.697 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 378 0.996 -4.442 2.551 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 378 1.152 -4.109 1.059 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 379 -1.316 1.461 0.584 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 379 -0.411 1.129 0.402 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 379 -1.811 0.653 0.864 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 380 2.522 -2.892 0.748 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 380 2.771 -3.319 1.602 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 380 3.032 -2.052 0.747 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 381 3.693 -0.464 1.120 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 381 3.846 -0.581 2.088 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 381 4.318 0.253 0.867 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 382 4.614 3.681 2.821 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 382 4.562 3.052 3.562 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 382 3.731 4.117 2.812 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 383 13.681 -0.165 4.760 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 383 13.698 -0.997 4.223 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 383 12.849 0.281 4.483 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 384 -5.310 1.437 0.265 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 384 -4.627 2.010 0.686 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 384 -6.132 1.630 0.775 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 385 0.834 3.411 -1.748 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 385 1.504 3.372 -1.037 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 385 0.559 4.333 -1.765 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 386 -0.001 3.800 6.394 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 386 0.950 3.720 6.175 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 386 -0.009 4.081 7.311 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 387 2.625 3.773 5.520 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 387 3.240 4.439 5.911 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 387 2.371 4.163 4.655 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 388 -1.421 4.184 4.096 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 388 -0.838 3.655 3.522 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 388 -1.043 4.065 4.994 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 389 10.786 3.730 10.954 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 389 11.287 3.824 10.125 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 389 11.462 3.848 11.659 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 390 2.083 4.751 3.003 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 390 1.757 5.651 2.782 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 390 1.341 4.158 2.745 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 391 2.667 2.592 0.034 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 391 3.604 2.344 0.196 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 391 2.266 2.594 0.917 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 392 5.162 1.816 0.865 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 392 5.164 2.478 1.592 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 392 6.016 1.961 0.408 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 393 -5.376 4.712 2.935 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 393 -4.931 3.925 2.585 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 393 -6.211 4.368 3.311 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 394 1.499 -2.029 -1.629 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 394 1.877 -2.554 -0.893 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 394 0.723 -2.551 -1.924 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 395 1.860 1.130 3.729 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 395 2.165 1.659 4.480 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 395 2.455 0.356 3.728 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 396 12.910 4.057 12.648 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 396 13.268 3.822 13.506 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 396 13.689 4.347 12.132 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 397 10.982 1.992 6.799 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 397 11.333 1.172 7.209 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 397 11.151 1.864 5.842 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 398 15.282 2.192 10.115 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 398 15.543 1.361 10.517 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 398 14.903 1.931 9.247 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 399 10.672 1.599 1.520 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 399 10.592 2.555 1.734 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 399 9.805 1.358 1.178 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 400 10.236 -1.747 5.793 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 400 10.415 -2.328 5.031 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 400 9.619 -1.075 5.443 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 401 11.255 1.003 4.165 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 401 10.357 0.636 4.325 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 401 11.258 1.210 3.207 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 402 7.554 -1.610 2.878 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 402 8.056 -2.303 2.403 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 402 6.711 -2.033 3.093 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 403 8.916 -3.752 1.833 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 403 9.436 -3.812 0.998 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 403 9.598 -3.593 2.523 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 404 9.947 6.267 7.960 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 404 10.487 6.793 7.323 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 404 10.490 5.472 8.131 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 405 5.461 -3.276 4.019 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 405 5.874 -3.517 4.857 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 405 5.802 -3.951 3.378 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 406 5.465 11.087 3.775 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 406 5.260 10.245 3.310 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 406 4.715 11.222 4.358 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 407 -2.837 5.610 2.346 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 407 -3.758 5.581 2.674 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 407 -2.311 5.195 3.074 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 408 -0.499 16.041 -21.194 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 408 -1.138 16.421 -20.579 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 408 0.122 15.546 -20.619 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 409 13.557 11.038 -20.841 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 409 13.049 11.072 -21.674 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 409 14.167 10.274 -20.971 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 410 -3.488 11.628 -25.338 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 410 -3.103 12.401 -24.885 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 410 -3.588 11.921 -26.265 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 411 -5.745 17.103 -26.626 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 411 -5.206 16.296 -26.464 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 411 -5.887 17.106 -27.577 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 412 9.661 12.462 -19.016 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 412 9.354 12.676 -18.122 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 412 10.554 12.130 -18.886 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 413 -3.517 13.225 -19.693 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 413 -3.180 13.890 -19.059 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 413 -4.393 12.954 -19.315 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 414 -4.559 13.979 -22.074 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 414 -4.066 13.588 -21.317 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 414 -3.904 14.002 -22.800 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 415 0.575 12.291 -20.444 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 415 1.149 11.659 -19.944 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 415 0.779 13.162 -20.046 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 416 -4.112 16.293 -20.644 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 416 -4.367 15.456 -21.084 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 416 -3.845 16.884 -21.395 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 417 -4.316 9.394 -23.974 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 417 -3.967 9.600 -23.091 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 417 -3.937 10.097 -24.555 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 418 -1.154 16.307 -23.804 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 418 -0.866 16.168 -22.866 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 418 -0.421 16.787 -24.206 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 419 -7.330 14.760 -20.417 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 419 -6.948 14.111 -19.765 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 419 -6.807 15.562 -20.283 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 420 -7.092 15.057 -25.112 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 420 -6.171 14.783 -25.317 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 420 -7.116 15.996 -25.361 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 421 -3.758 12.882 -27.897 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 421 -4.496 12.541 -28.461 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 421 -3.035 13.022 -28.519 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 422 -3.352 17.695 -22.783 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 422 -2.607 17.289 -23.265 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 422 -3.842 18.197 -23.476 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 423 -4.425 18.332 -18.865 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 423 -4.375 17.606 -19.520 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 423 -4.500 19.128 -19.401 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 424 -2.787 15.551 -18.307 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 424 -3.287 15.947 -17.579 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 424 -3.235 15.883 -19.114 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 425 1.052 14.753 -19.283 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 425 0.582 14.899 -18.430 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 425 1.986 14.842 -19.055 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 426 -2.578 13.987 -24.096 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 426 -2.109 14.854 -24.095 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 426 -1.951 13.379 -23.627 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 427 4.836 14.630 -12.719 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 427 4.819 14.911 -11.777 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 427 5.531 13.928 -12.749 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 428 -0.343 15.323 -17.003 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 428 -1.163 15.288 -17.543 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 428 -0.651 15.658 -16.132 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 429 -0.851 12.338 -22.799 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 429 -0.409 12.469 -21.931 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 429 -0.402 11.575 -23.175 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 430 8.020 14.596 -14.613 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 430 7.627 14.005 -13.939 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 430 7.276 14.832 -15.184 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 431 0.247 8.196 -18.928 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 431 0.272 7.228 -19.087 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 431 -0.536 8.496 -19.410 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 432 1.455 12.026 -14.930 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 432 0.572 11.620 -14.915 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 432 1.646 12.229 -13.989 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 433 -4.508 14.702 -25.982 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 433 -3.826 14.539 -25.297 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 433 -4.284 14.066 -26.698 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 434 -8.459 14.214 -22.873 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 434 -7.980 14.601 -22.115 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 434 -7.984 14.556 -23.658 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 435 11.390 9.468 -16.481 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 435 11.680 10.394 -16.619 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 435 10.887 9.250 -17.298 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 436 -5.656 11.938 -29.588 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 436 -6.117 12.301 -30.349 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 436 -6.070 11.057 -29.455 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 437 8.824 8.135 -21.062 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 437 9.552 7.596 -21.429 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 437 8.752 8.880 -21.675 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 438 -5.772 7.064 -24.227 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 438 -5.108 7.791 -24.198 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 438 -6.583 7.497 -24.567 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 439 -2.829 12.058 -17.085 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 439 -3.685 11.814 -17.507 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 439 -2.157 11.707 -17.695 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 440 5.587 9.682 -15.155 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 440 6.191 9.029 -15.573 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 440 5.729 9.552 -14.187 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 441 5.027 17.679 -8.153 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 441 5.405 16.856 -8.492 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 441 4.243 17.385 -7.633 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 442 5.677 18.388 -5.435 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 442 6.166 17.532 -5.381 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 442 5.541 18.519 -6.393 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 443 7.859 22.256 -6.940 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 443 6.919 22.111 -6.676 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 443 7.974 23.211 -6.881 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 444 -4.948 16.544 -14.557 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 444 -5.755 16.683 -14.021 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 444 -4.215 16.754 -13.942 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 445 1.075 15.088 -8.157 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 445 0.424 15.819 -8.285 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 445 1.453 14.950 -9.045 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 446 -6.145 14.297 -7.978 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 446 -5.652 14.631 -7.225 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 446 -5.521 13.681 -8.420 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 447 -3.271 12.630 -4.007 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 447 -2.826 13.512 -3.983 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 447 -4.166 12.806 -3.626 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 448 11.805 19.986 -3.531 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 448 11.264 19.405 -2.949 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 448 11.158 20.360 -4.156 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 449 2.025 18.065 -9.866 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 449 2.801 18.308 -10.427 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 449 2.315 18.268 -8.965 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 450 5.228 22.299 -6.177 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 450 4.849 21.632 -5.560 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 450 4.472 22.827 -6.443 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 451 4.531 18.428 -10.844 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 451 5.194 18.025 -11.449 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 451 4.920 18.321 -9.957 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 452 -2.981 17.353 -12.822 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 452 -2.890 17.077 -11.880 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 452 -2.829 18.304 -12.803 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 453 10.249 22.932 -10.558 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 453 9.867 23.337 -11.368 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 453 9.554 22.322 -10.247 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 454 6.945 18.251 -2.820 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 454 7.706 17.645 -2.932 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 454 6.695 18.493 -3.732 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 455 -0.467 13.151 -7.035 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 455 0.139 13.821 -7.423 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 455 0.101 12.629 -6.455 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 456 7.034 22.024 -11.716 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 456 7.472 21.688 -10.906 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 456 6.254 21.469 -11.810 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 457 6.641 12.684 -13.147 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 457 6.853 12.213 -13.976 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 457 6.429 11.962 -12.509 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 458 -0.402 17.269 -8.830 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 458 -1.185 17.359 -9.399 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 458 0.310 17.717 -9.327 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 459 6.324 17.090 -12.450 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 459 7.275 16.896 -12.581 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 459 5.870 16.317 -12.819 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 460 4.586 15.058 -4.268 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 460 4.654 15.599 -3.445 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 460 5.380 15.302 -4.774 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 461 2.127 14.492 -15.889 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 461 1.885 13.573 -15.634 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 461 1.307 14.854 -16.277 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 462 -4.856 10.056 -10.101 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 462 -5.295 9.243 -10.420 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 462 -4.248 9.738 -9.394 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 463 8.251 18.344 -7.084 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 463 7.843 17.573 -6.625 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 463 8.322 18.055 -8.017 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 464 4.827 15.042 -10.017 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 464 4.645 14.096 -9.797 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 464 5.779 15.159 -9.798 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 465 -2.882 16.907 -10.137 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 465 -3.707 17.132 -9.693 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 465 -2.599 16.062 -9.701 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 466 0.841 15.454 -13.314 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 466 1.568 15.165 -13.886 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 466 1.233 15.468 -12.420 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 467 -2.104 13.238 -14.740 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 467 -1.897 14.193 -14.791 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 467 -2.218 12.965 -15.677 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 468 2.831 16.748 -6.824 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 468 2.671 16.629 -5.872 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 468 2.223 16.108 -7.248 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 469 -2.368 14.618 -8.803 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 469 -1.718 14.214 -8.203 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 469 -3.020 13.905 -8.965 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 470 -1.849 14.937 -3.790 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 470 -1.739 15.881 -3.648 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 470 -0.945 14.570 -3.681 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 471 9.617 20.326 -5.735 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 471 9.036 19.638 -6.120 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 471 9.182 21.162 -5.979 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 472 4.877 14.110 -15.493 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 472 3.978 14.302 -15.834 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 472 4.821 14.330 -14.544 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 473 4.128 12.431 -9.791 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 473 4.637 11.808 -10.353 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 473 3.952 11.929 -8.975 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 474 14.520 19.097 -3.097 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 474 14.781 18.628 -3.907 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 474 13.571 19.299 -3.229 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 475 8.853 23.756 -12.771 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 475 8.556 24.055 -13.632 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 475 8.128 23.169 -12.456 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 476 7.471 15.261 -9.285 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 476 7.527 14.320 -9.580 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 476 7.961 15.270 -8.422 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 477 -1.482 15.903 -14.607 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 477 -0.671 15.762 -14.058 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 477 -2.071 16.432 -14.028 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 478 3.988 20.372 -4.681 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 478 4.644 19.670 -4.895 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 478 3.173 19.875 -4.470 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 479 -5.675 13.143 -2.860 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 479 -6.159 12.339 -2.569 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 479 -6.300 13.858 -2.717 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 480 9.157 17.366 -9.476 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 480 9.980 16.825 -9.389 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 480 8.444 16.694 -9.561 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 481 2.176 15.456 -10.765 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 481 3.116 15.315 -10.527 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 481 2.011 16.395 -10.530 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 482 1.981 16.046 -4.108 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 482 2.887 15.691 -4.008 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 482 1.405 15.314 -3.803 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 483 -3.604 8.304 -5.696 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 483 -3.132 8.798 -4.994 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 483 -4.566 8.465 -5.494 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 484 3.719 19.569 -1.950 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 484 2.911 19.272 -2.413 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 484 4.100 20.232 -2.547 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 485 9.103 16.768 -12.197 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 485 9.861 16.256 -11.846 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 485 8.879 17.374 -11.475 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 486 -0.908 11.533 -2.973 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 486 -1.722 11.966 -3.290 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 486 -1.112 10.586 -3.026 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 487 1.871 18.766 -3.849 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 487 1.031 18.987 -4.265 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 487 1.914 17.782 -3.901 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 488 4.632 16.898 -2.285 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 488 5.527 17.284 -2.371 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 488 4.102 17.621 -1.912 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 489 6.010 19.282 -0.442 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 489 5.097 19.453 -0.750 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 489 6.482 18.998 -1.253 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 490 0.585 13.738 -3.396 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 490 1.383 13.354 -3.826 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 490 0.102 12.950 -3.049 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 491 2.845 12.874 -4.659 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 491 3.523 13.580 -4.590 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 491 3.105 12.369 -5.444 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 492 9.262 13.551 -2.590 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 492 9.129 13.363 -1.637 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 492 9.318 12.663 -2.999 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 493 8.928 12.588 -0.061 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 493 8.632 12.632 0.868 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 493 8.446 11.820 -0.422 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 494 1.259 7.361 2.310 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 494 1.649 7.655 3.167 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 494 1.683 7.925 1.652 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 495 8.351 21.139 -9.461 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 495 8.171 21.504 -8.565 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 495 8.514 20.199 -9.305 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 496 12.681 22.374 -9.601 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 496 12.464 21.448 -9.426 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 496 11.839 22.753 -9.962 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 497 12.204 18.499 -8.695 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 497 11.925 18.351 -9.605 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 497 13.033 19.023 -8.778 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 498 9.340 12.709 -16.219 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 498 9.271 13.572 -15.759 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 498 8.412 12.367 -16.219 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 499 9.482 20.258 -0.502 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 499 9.542 19.517 -1.134 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 499 8.817 19.968 0.146 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 500 10.367 18.166 -2.102 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 500 10.885 17.706 -1.399 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 500 9.836 17.447 -2.514 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 501 10.557 14.276 -13.439 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 501 10.787 14.678 -12.574 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 501 9.706 14.697 -13.682 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 502 -3.170 9.513 -8.072 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 502 -3.322 8.935 -7.298 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 502 -2.884 10.359 -7.679 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 503 8.879 16.224 -3.230 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 503 9.045 15.289 -2.958 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 503 8.316 16.142 -4.029 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 504 9.583 11.351 -13.776 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 504 9.587 11.707 -14.684 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 504 9.919 12.084 -13.236 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 505 -7.124 11.089 -1.790 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 505 -6.851 10.956 -0.856 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 505 -7.984 10.652 -1.853 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 506 -8.134 9.809 -11.253 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 506 -8.434 10.410 -10.545 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 506 -8.338 8.914 -10.905 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 507 -2.843 11.893 -6.678 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 507 -1.984 12.352 -6.816 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 507 -3.062 12.075 -5.742 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 508 2.520 12.946 -12.522 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 508 3.293 13.528 -12.658 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 508 2.114 13.281 -11.706 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 509 -3.229 9.629 0.435 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 509 -2.730 8.986 0.991 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 509 -2.600 9.887 -0.245 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 510 -1.494 7.905 1.705 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 510 -0.586 7.741 2.020 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 510 -1.974 7.072 1.914 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 511 7.153 7.791 0.634 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 511 6.796 7.155 1.287 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 511 8.122 7.668 0.683 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 512 7.805 19.214 1.558 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 512 7.088 19.126 0.882 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 512 7.450 19.842 2.196 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 513 12.550 18.691 1.706 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 513 12.475 19.322 0.949 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 513 11.620 18.489 1.943 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 514 12.191 20.341 -0.441 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 514 12.419 20.573 -1.349 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 514 11.216 20.463 -0.400 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 515 10.879 14.363 0.833 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 515 10.630 14.185 1.756 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 515 10.319 13.751 0.315 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 516 7.002 10.480 -0.079 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 516 6.286 10.548 -0.742 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 516 7.017 9.524 0.159 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 517 10.006 17.620 2.067 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 517 10.106 17.169 1.212 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 517 9.190 18.160 1.959 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 518 9.698 13.491 3.318 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 518 10.260 12.685 3.288 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 518 8.815 13.171 3.039 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 519 10.358 8.463 9.579 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 519 10.944 8.043 10.221 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 519 10.014 7.719 9.049 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 520 11.705 7.730 6.498 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 520 12.211 8.096 7.248 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 520 12.094 8.169 5.715 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 521 7.554 12.014 2.273 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 521 6.841 11.832 2.925 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 521 7.330 11.440 1.513 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 522 20.448 -17.267 -26.300 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 522 21.286 -16.805 -26.196 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 522 20.174 -17.066 -27.200 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 523 11.693 -18.064 -25.084 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 523 12.153 -18.257 -24.239 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 523 12.408 -17.943 -25.717 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 524 8.961 -15.413 -26.655 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 524 9.905 -15.247 -26.435 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 524 8.954 -15.508 -27.613 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 525 21.680 -6.154 -25.877 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 525 21.977 -5.234 -25.728 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 525 21.251 -6.406 -25.029 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 526 18.928 -18.372 -24.297 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 526 19.482 -17.934 -24.980 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 526 18.690 -19.214 -24.691 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 527 16.359 -15.347 -23.595 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 527 16.996 -15.938 -23.138 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 527 16.925 -14.666 -24.022 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 528 26.195 -12.290 -23.530 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 528 27.090 -11.912 -23.377 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 528 25.870 -11.823 -24.329 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 529 25.236 -10.591 -25.518 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 529 25.430 -9.790 -24.972 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 529 24.379 -10.397 -25.924 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 530 25.931 -14.636 -22.097 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 530 25.975 -13.794 -22.605 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 530 25.963 -15.320 -22.771 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 531 11.543 -14.709 -26.027 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 531 12.349 -14.497 -26.540 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 531 11.173 -13.829 -25.787 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 532 14.478 -16.134 -25.421 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 532 13.745 -16.147 -24.781 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 532 15.275 -16.012 -24.863 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 533 17.264 -12.977 -24.681 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 533 16.378 -12.702 -24.984 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 533 17.861 -12.275 -25.025 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 534 14.097 -15.345 -20.602 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 534 14.591 -15.141 -19.773 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 534 13.182 -15.040 -20.413 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 535 19.075 -8.063 -25.536 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 535 19.805 -8.542 -25.983 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 535 19.494 -7.694 -24.723 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 536 11.843 -14.022 -19.820 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 536 11.094 -14.638 -19.645 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 536 11.855 -13.435 -19.037 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 537 11.872 -12.286 -22.013 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 537 11.037 -11.800 -22.182 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 537 11.635 -12.931 -21.314 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 538 28.723 -9.905 -17.233 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 538 29.301 -9.121 -17.247 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 538 27.817 -9.538 -17.369 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 539 20.910 -9.682 -26.886 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 539 21.811 -9.330 -26.715 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 539 20.849 -9.711 -27.847 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 540 13.467 -8.182 -24.185 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 540 12.723 -7.974 -23.571 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 540 13.279 -9.097 -24.477 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 541 21.478 -19.470 -19.705 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 541 22.102 -19.654 -18.967 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 541 21.776 -20.046 -20.414 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 542 13.311 -18.065 -22.883 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 542 13.069 -17.130 -22.780 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 542 14.101 -18.167 -22.328 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 543 22.881 -10.918 -18.998 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 543 23.515 -10.659 -18.276 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 543 22.826 -11.877 -18.926 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 544 12.564 -15.354 -23.513 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 544 11.837 -15.574 -22.886 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 544 12.100 -15.163 -24.355 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 545 10.495 -16.128 -21.916 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 545 10.351 -16.036 -20.947 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 545 9.925 -16.888 -22.167 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 546 13.742 -19.051 -19.326 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 546 13.596 -19.868 -19.812 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 546 14.365 -18.548 -19.887 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 547 25.682 -12.309 -18.765 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 547 25.525 -11.900 -19.648 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 547 25.517 -11.564 -18.125 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 548 28.038 -13.503 -18.141 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 548 27.171 -13.079 -18.329 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 548 28.361 -13.034 -17.345 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 549 18.597 -10.799 -25.695 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 549 19.487 -10.787 -26.092 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 549 18.394 -9.859 -25.547 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 550 14.008 -14.118 -27.152 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 550 14.486 -14.246 -27.979 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 550 14.245 -14.912 -26.610 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 551 14.226 -6.379 -26.349 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 551 14.951 -6.299 -25.695 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 551 13.558 -6.919 -25.891 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 552 19.598 -17.471 -19.942 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 552 20.207 -16.764 -19.701 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 552 20.144 -18.289 -19.875 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 553 25.614 -8.324 -24.128 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 553 26.057 -7.443 -24.160 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 553 24.680 -8.112 -23.901 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 554 12.471 -10.800 -24.456 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 554 11.733 -11.296 -24.870 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 554 12.254 -10.808 -23.509 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 555 17.103 -16.961 -18.861 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 555 16.549 -17.440 -19.502 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 555 18.021 -17.173 -19.133 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 556 24.753 -14.766 -19.545 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 556 25.143 -13.907 -19.288 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 556 25.050 -14.895 -20.465 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 557 11.459 -17.951 -18.276 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 557 12.319 -18.317 -18.586 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 557 11.653 -17.615 -17.372 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 558 15.432 -17.672 -21.040 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 558 14.994 -16.792 -20.983 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 558 16.256 -17.499 -21.550 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 559 23.389 -20.216 -17.786 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 559 23.566 -19.757 -16.939 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 559 23.753 -21.096 -17.657 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 560 17.910 -17.096 -22.123 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 560 18.556 -17.219 -21.396 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 560 18.309 -17.585 -22.883 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 561 24.272 -19.158 -15.327 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 561 25.034 -18.756 -15.792 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 561 24.396 -18.893 -14.397 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 562 26.439 -17.962 -16.662 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 562 26.194 -18.221 -17.557 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 562 27.136 -17.274 -16.794 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 563 10.379 -4.623 -29.926 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 563 10.088 -5.004 -30.758 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 563 11.187 -5.133 -29.697 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 564 10.379 -12.506 -25.058 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 564 10.132 -12.990 -24.237 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 564 9.563 -12.027 -25.303 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 565 26.336 -5.795 -23.580 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 565 25.432 -5.435 -23.678 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 565 26.769 -5.175 -22.942 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 566 26.497 -8.740 -21.558 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 566 26.465 -8.540 -22.516 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 566 26.977 -7.974 -21.167 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 567 28.241 -15.926 -16.836 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 567 28.171 -15.177 -17.467 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 567 28.534 -15.505 -16.003 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 568 25.302 -11.137 -21.199 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 568 25.984 -10.431 -21.221 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 568 25.464 -11.648 -22.017 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 569 8.974 -17.654 -25.037 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 569 8.880 -16.913 -25.664 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 569 9.929 -17.884 -25.078 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 570 14.616 -12.344 -25.124 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 570 13.885 -11.691 -25.043 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 570 14.408 -12.836 -25.949 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 571 21.414 -17.165 -12.388 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 571 20.970 -17.680 -13.085 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 571 20.975 -17.456 -11.562 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 572 13.267 -18.009 -3.520 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 572 14.031 -18.082 -4.127 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 572 13.678 -17.829 -2.644 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 573 9.122 -20.800 -9.005 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 573 9.599 -20.672 -8.186 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 573 9.268 -19.973 -9.500 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 574 15.224 -19.424 -7.002 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 574 15.200 -20.287 -7.472 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 574 14.717 -18.819 -7.586 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 575 13.970 -17.700 -8.754 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 575 13.783 -18.241 -9.540 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 575 14.714 -17.113 -9.042 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 576 15.466 -17.452 -5.133 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 576 16.348 -17.138 -5.432 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 576 15.258 -18.186 -5.748 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 577 18.004 -19.655 -6.634 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 577 18.138 -20.109 -7.489 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 577 17.032 -19.629 -6.530 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 578 20.100 -15.090 -9.304 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 578 20.480 -14.933 -8.414 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 578 19.133 -15.222 -9.127 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 579 25.299 -14.070 -2.580 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 579 25.857 -14.209 -3.374 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 579 25.920 -14.136 -1.835 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 580 19.902 -18.827 -14.134 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 580 19.933 -18.732 -15.093 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 580 20.604 -19.497 -13.937 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 581 26.941 -14.283 -4.843 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 581 26.923 -15.131 -5.328 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 581 26.903 -13.600 -5.554 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 582 23.798 -17.004 -10.137 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 582 23.910 -16.297 -9.457 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 582 23.208 -17.643 -9.711 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 583 18.540 -12.184 -2.488 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 583 18.249 -11.278 -2.237 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 583 17.779 -12.755 -2.238 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 584 24.169 -15.108 -14.373 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 584 24.977 -15.652 -14.451 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 584 24.076 -14.690 -15.262 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 585 14.855 -16.889 -1.615 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 585 15.803 -16.910 -1.392 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 585 14.789 -16.202 -2.303 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 586 28.489 -12.137 -15.735 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 586 28.650 -11.393 -16.366 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 586 28.333 -11.685 -14.876 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 587 30.583 -10.137 -0.546 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 587 30.168 -11.006 -0.560 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 587 31.544 -10.328 -0.641 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 588 24.159 -14.045 -16.869 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 588 24.190 -14.535 -17.713 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 588 24.625 -13.217 -17.059 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 589 20.612 -19.068 -5.771 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 589 20.643 -18.769 -4.853 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 589 19.696 -19.386 -5.891 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 590 17.600 -18.391 -10.399 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 590 17.052 -17.641 -10.042 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 590 18.529 -18.108 -10.223 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 591 22.142 -20.314 -13.900 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 591 22.721 -20.694 -13.204 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 591 22.768 -19.977 -14.567 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 592 24.221 -20.845 -12.199 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 592 24.542 -19.924 -12.304 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 592 24.922 -21.287 -11.718 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 593 21.202 -17.109 -3.039 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 593 20.376 -16.701 -3.374 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 593 21.896 -16.455 -3.257 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 594 11.958 -19.802 -14.009 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 594 11.073 -19.905 -14.435 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 594 12.578 -20.084 -14.685 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 595 6.362 -28.034 -7.293 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 595 7.073 -27.887 -7.917 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 595 6.087 -27.155 -7.029 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 596 22.997 -14.905 -5.544 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 596 22.942 -14.715 -4.584 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 596 23.499 -15.753 -5.589 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 597 18.157 -20.771 -9.186 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 597 19.043 -20.968 -9.515 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 597 17.899 -19.950 -9.666 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 598 11.832 -18.226 -11.864 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 598 11.756 -18.809 -12.660 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 598 12.714 -18.444 -11.498 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 599 14.466 -18.786 -11.323 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 599 15.352 -18.625 -10.961 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 599 14.634 -19.178 -12.198 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 600 17.486 -18.144 -13.094 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 600 18.382 -18.337 -13.458 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 600 17.584 -18.298 -12.127 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 601 23.866 -8.508 -0.762 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 601 24.407 -9.324 -0.717 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 601 24.384 -7.913 -1.339 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 602 17.602 -16.328 -1.570 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 602 18.004 -16.277 -2.467 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 602 18.356 -16.450 -0.983 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 603 15.907 -15.954 -12.590 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 603 16.565 -16.607 -12.905 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 603 15.942 -16.036 -11.608 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 604 17.908 -16.913 -6.222 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 604 18.165 -17.820 -6.479 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 604 17.865 -16.422 -7.084 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 605 25.653 -9.803 -2.421 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 605 26.233 -10.550 -2.224 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 605 25.713 -9.702 -3.396 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 606 18.912 -13.377 -4.946 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 606 18.541 -12.737 -5.585 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 606 18.833 -12.918 -4.081 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 607 25.002 -18.230 -12.579 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 607 25.582 -17.590 -13.049 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 607 24.645 -17.721 -11.825 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 608 14.812 -15.149 -3.792 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 608 15.141 -15.914 -4.316 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 608 13.920 -14.986 -4.151 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 609 27.497 -11.718 -0.861 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 609 27.238 -12.614 -0.553 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 609 27.625 -11.827 -1.829 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 610 20.181 -17.690 -10.014 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 610 20.762 -17.997 -9.287 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 610 20.098 -16.719 -9.855 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 611 11.742 -16.742 -15.791 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 611 11.574 -15.776 -15.889 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 611 12.460 -16.792 -15.119 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 612 27.778 -6.588 -17.961 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 612 27.464 -5.942 -17.288 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 612 27.191 -7.381 -17.824 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 613 15.635 -21.637 -8.533 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 613 16.554 -21.446 -8.817 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 613 15.469 -22.528 -8.850 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 614 21.826 -17.773 -7.819 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 614 21.524 -18.352 -7.079 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 614 21.520 -16.887 -7.562 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 615 13.732 -16.805 -13.973 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 615 14.079 -17.711 -14.111 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 615 14.502 -16.306 -13.624 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 616 21.802 -10.759 -0.412 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 616 22.748 -10.793 -0.156 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 616 21.337 -10.541 0.423 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 617 15.589 -14.743 -18.418 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 617 15.471 -14.659 -17.465 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 617 16.242 -15.476 -18.517 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 618 16.431 -13.833 -1.919 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 618 16.730 -14.704 -1.586 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 618 15.802 -14.058 -2.640 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 619 22.715 -14.801 -2.843 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 619 23.638 -14.548 -2.599 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 619 22.153 -14.174 -2.342 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 620 11.696 -16.497 4.037 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 620 12.143 -15.772 3.532 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 620 12.139 -17.298 3.736 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 621 18.915 -15.906 -3.930 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 621 18.589 -16.354 -4.747 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 621 18.943 -14.958 -4.180 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 622 15.221 -19.057 -14.299 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 622 15.456 -19.310 -15.199 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 622 16.066 -18.736 -13.911 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 623 21.773 -16.813 -0.356 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 623 21.639 -17.721 -0.071 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 623 21.649 -16.848 -1.331 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 624 28.510 -14.564 -14.447 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 624 28.263 -14.430 -13.503 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 624 28.411 -13.669 -14.853 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 625 20.557 -15.001 -6.657 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 625 21.417 -14.926 -6.190 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 625 19.931 -14.525 -6.083 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 626 24.294 -17.230 -5.826 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 626 25.251 -17.137 -5.997 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 626 23.949 -17.657 -6.620 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 627 26.617 -14.175 -0.068 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 627 25.710 -14.531 0.122 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 627 27.169 -14.572 0.614 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 628 27.834 -14.560 -11.797 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 628 27.974 -15.286 -11.166 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 628 26.908 -14.274 -11.625 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 629 26.949 -15.881 -9.384 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 629 27.008 -15.519 -8.489 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 629 26.271 -15.314 -9.824 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 630 26.879 -12.168 -6.556 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 630 26.459 -11.331 -6.269 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 630 26.355 -12.441 -7.357 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 631 26.493 -16.585 -14.249 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 631 26.559 -17.151 -15.046 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 631 27.242 -15.963 -14.336 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 632 23.754 -15.044 -8.249 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 632 24.361 -14.285 -8.437 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 632 23.423 -14.863 -7.349 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 633 12.131 -15.811 -7.793 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 633 12.808 -16.476 -8.031 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 633 12.301 -15.624 -6.847 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 634 8.982 -16.625 4.584 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 634 8.810 -15.804 5.092 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 634 9.954 -16.614 4.432 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 635 10.581 -17.945 -3.103 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 635 11.530 -18.169 -3.224 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 635 10.281 -17.688 -3.996 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 636 28.128 -9.466 0.638 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 636 29.060 -9.426 0.358 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 636 27.761 -10.219 0.134 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 637 26.490 -7.964 2.203 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 637 27.057 -8.406 1.526 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 637 26.701 -8.425 3.020 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 638 12.834 -14.380 2.833 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 638 13.609 -13.853 2.532 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 638 12.069 -13.807 2.640 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 639 24.183 -15.177 0.467 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 639 23.743 -15.922 0.031 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 639 23.450 -14.661 0.849 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 640 20.979 -13.047 -1.563 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 640 20.098 -12.835 -1.941 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 640 21.271 -12.196 -1.154 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 641 16.468 -11.902 0.092 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 641 16.362 -12.673 -0.504 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 641 16.641 -11.154 -0.518 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 642 22.807 -12.188 2.002 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 642 22.108 -11.555 2.264 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 642 22.312 -12.990 1.736 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 643 20.670 -10.374 2.046 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 643 19.728 -10.322 1.778 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 643 20.888 -9.456 2.325 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 644 16.126 -9.624 5.348 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 644 17.062 -9.638 5.569 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 644 15.876 -8.680 5.417 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 645 18.182 -7.053 0.220 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 645 17.467 -7.291 -0.438 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 645 18.133 -7.765 0.884 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 646 24.474 -11.196 0.068 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 646 25.374 -11.546 0.023 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 646 24.081 -11.637 0.857 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 647 18.165 -9.836 1.033 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 647 17.992 -9.642 0.083 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 647 17.640 -10.636 1.206 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 648 21.540 -14.325 0.790 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 648 21.250 -13.844 -0.011 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 648 21.517 -15.267 0.521 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 649 19.437 -5.936 3.578 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 649 18.463 -5.824 3.513 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 649 19.583 -6.200 4.515 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 650 14.650 -12.466 2.076 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 650 15.334 -12.314 1.387 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 650 14.574 -11.610 2.528 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 651 13.986 -10.229 3.769 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 651 13.470 -10.915 4.242 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 651 14.810 -10.139 4.303 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 652 21.163 -7.743 2.330 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 652 22.114 -7.504 2.384 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 652 20.708 -7.053 2.855 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 653 23.091 2.185 -23.569 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 653 23.667 1.994 -22.815 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 653 22.538 1.376 -23.652 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 654 17.975 4.670 -24.109 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 654 17.636 3.857 -24.532 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 654 18.935 4.527 -24.052 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 655 11.434 -0.913 -21.915 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 655 11.292 -1.097 -22.865 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 655 11.513 -1.793 -21.517 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 656 15.040 1.324 -23.688 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 656 14.944 0.494 -24.206 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 656 15.712 1.836 -24.179 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 657 25.953 8.130 -23.496 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 657 25.464 7.748 -24.255 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 657 26.190 7.348 -22.949 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 658 15.816 -3.728 -24.078 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 658 16.361 -3.684 -24.891 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 658 15.705 -4.689 -23.919 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 659 20.259 -4.931 -27.935 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 659 20.802 -5.506 -27.356 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 659 20.830 -4.155 -28.099 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 660 15.063 -1.120 -24.937 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 660 15.146 -2.056 -24.679 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 660 15.077 -1.137 -25.915 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 661 20.710 3.542 -23.975 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 661 20.194 2.767 -24.252 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 661 21.617 3.192 -23.852 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 662 27.286 2.511 -24.303 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 662 27.778 2.654 -23.464 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 662 27.184 1.534 -24.353 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 663 28.562 3.498 -26.493 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 663 28.101 3.187 -25.687 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 663 28.262 2.875 -27.189 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 664 22.364 0.177 -28.558 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 664 21.675 -0.190 -29.156 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 664 21.863 0.764 -27.957 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 665 23.101 3.170 -27.345 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 665 23.768 2.723 -27.901 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 665 23.609 3.476 -26.567 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 666 18.646 -3.406 -29.725 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 666 17.728 -3.742 -29.800 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 666 19.107 -4.084 -29.203 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 667 20.685 1.962 -27.251 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 667 20.065 2.519 -27.737 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 667 21.513 2.502 -27.209 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 668 24.748 3.755 -25.177 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 668 24.171 3.197 -24.616 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 668 25.645 3.387 -25.036 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 669 15.079 -1.286 -27.689 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 669 14.302 -0.846 -28.104 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 669 14.849 -2.238 -27.708 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 670 13.762 5.769 -16.804 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 670 14.619 5.380 -17.072 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 670 13.101 5.285 -17.340 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 671 14.654 3.640 -19.393 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 671 14.375 2.888 -19.933 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 671 15.372 3.277 -18.830 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 672 16.110 -4.374 -29.467 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 672 15.997 -5.343 -29.453 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 672 15.346 -4.040 -28.962 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 673 22.023 -2.596 -27.901 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 673 22.132 -2.877 -26.969 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 673 22.485 -1.737 -27.947 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 674 19.688 1.113 -24.853 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 674 20.056 1.225 -25.762 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 674 20.449 0.758 -24.326 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 675 11.934 -2.477 -26.986 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 675 12.233 -1.683 -27.465 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 675 11.033 -2.645 -27.344 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 676 21.856 -3.429 -25.304 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 676 21.490 -3.838 -24.477 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 676 22.222 -2.556 -25.000 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 677 14.200 -3.880 -27.527 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 677 14.201 -4.756 -27.088 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 677 13.304 -3.518 -27.335 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 678 17.196 -3.720 -26.466 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 678 17.390 -4.639 -26.754 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 678 16.840 -3.295 -27.263 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 679 15.547 -6.942 -28.707 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 679 15.012 -6.859 -27.893 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 679 16.468 -6.952 -28.383 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 680 17.254 2.209 -25.233 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 680 18.121 1.806 -25.018 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 680 17.009 1.797 -26.091 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 681 14.133 0.384 -18.786 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 681 13.370 0.833 -18.376 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 681 13.953 0.442 -19.752 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 682 17.095 0.612 -27.484 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 682 17.746 0.312 -28.128 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 682 16.365 -0.038 -27.558 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 683 20.303 -1.255 -29.602 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 683 20.878 -1.840 -29.074 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 683 19.570 -1.840 -29.885 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 684 21.704 5.890 -22.992 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 684 21.328 5.048 -23.321 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 684 22.600 5.646 -22.665 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 685 24.696 1.497 -28.929 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 685 23.921 0.911 -28.753 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 685 24.828 1.432 -29.880 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 686 14.937 6.176 -20.487 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 686 15.427 6.018 -21.325 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 686 14.928 5.296 -20.044 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 687 19.245 -2.537 -25.053 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 687 18.564 -2.942 -25.634 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 687 20.092 -2.841 -25.431 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 688 23.277 -8.253 -26.718 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 688 22.726 -7.515 -26.380 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 688 24.106 -7.817 -27.002 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 689 15.727 -6.532 -24.054 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 689 14.949 -7.117 -23.908 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 689 16.485 -7.130 -24.004 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 690 29.653 8.477 -23.439 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 690 30.548 8.159 -23.273 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 690 29.119 7.655 -23.515 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 691 27.364 8.177 -20.441 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 691 28.318 8.061 -20.235 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 691 27.104 7.319 -20.858 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 692 25.060 -1.286 -25.526 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 692 24.998 -2.248 -25.696 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 692 24.188 -1.059 -25.113 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 693 25.282 -4.045 -25.875 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 693 25.331 -4.905 -26.323 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 693 26.213 -3.858 -25.613 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 694 13.609 0.849 -21.382 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 694 12.857 0.325 -21.722 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 694 14.106 1.110 -22.192 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 695 27.877 -3.354 -25.290 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 695 27.935 -2.884 -24.422 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 695 28.496 -4.097 -25.192 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 696 27.113 -4.818 -16.029 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 696 26.243 -4.737 -15.581 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 696 27.442 -3.892 -16.075 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 697 25.553 -6.828 -27.498 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 697 26.131 -7.612 -27.338 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 697 25.808 -6.525 -28.373 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 698 24.882 -3.908 -14.675 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 698 25.614 -3.288 -14.435 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 698 24.083 -3.402 -14.520 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 699 29.918 10.868 -24.818 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 699 29.704 10.640 -25.724 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 699 29.834 10.022 -24.330 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 700 15.185 8.862 -21.216 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 700 15.157 7.976 -20.794 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 700 16.084 8.911 -21.609 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 701 30.108 -3.374 -17.667 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 701 30.419 -4.069 -17.049 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 701 29.254 -3.075 -17.283 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 702 13.841 7.655 -23.332 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 702 14.249 8.100 -22.563 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 702 14.493 6.968 -23.578 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 703 16.314 6.401 -22.864 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 703 16.874 5.724 -23.318 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 703 16.897 7.184 -22.800 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 704 17.590 8.848 -22.578 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 704 18.564 8.809 -22.523 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 704 17.421 9.505 -23.272 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 705 21.115 -8.628 -21.385 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 705 20.394 -9.221 -21.156 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 705 20.743 -8.056 -22.094 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 706 26.932 -9.174 -27.223 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 706 27.836 -9.483 -27.105 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 706 26.395 -9.796 -26.694 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 707 12.630 -6.178 -29.615 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 707 12.937 -6.732 -28.888 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 707 13.406 -6.081 -30.180 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 708 17.922 -6.258 -27.308 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 708 18.744 -5.852 -27.662 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 708 18.245 -6.931 -26.668 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 709 23.183 -7.548 -23.209 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 709 22.209 -7.503 -23.294 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 709 23.474 -6.616 -23.334 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 710 20.749 -7.617 -0.378 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 710 19.821 -7.350 -0.205 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 710 21.107 -7.812 0.510 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 711 20.010 -9.173 -2.460 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 711 20.304 -8.595 -1.719 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 711 19.070 -9.363 -2.253 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 712 27.772 1.561 3.080 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 712 28.156 1.861 3.930 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 712 27.435 2.381 2.669 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 713 30.909 -3.768 -0.378 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 713 31.780 -3.508 -0.006 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 713 31.136 -4.406 -1.084 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 714 28.991 -5.919 -14.347 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 714 28.862 -5.242 -13.643 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 714 28.287 -5.714 -15.000 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 715 23.822 -7.483 1.739 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 715 24.767 -7.626 1.970 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 715 23.724 -7.915 0.859 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 716 19.426 4.282 3.227 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 716 18.997 3.716 2.569 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 716 18.684 4.802 3.611 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 717 15.574 6.744 8.289 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 717 16.185 6.404 7.587 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 717 14.987 5.985 8.473 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 718 12.271 -0.435 7.115 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 718 11.497 -1.004 6.900 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 718 12.883 -0.577 6.367 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 719 14.245 1.499 7.684 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 719 13.538 0.823 7.609 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 719 14.802 1.352 6.892 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 720 23.737 1.893 20.443 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 720 23.464 1.039 20.778 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 720 22.936 2.279 20.090 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 721 18.854 -2.090 4.526 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 721 17.921 -2.397 4.414 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 721 18.771 -1.153 4.726 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 722 17.813 3.017 6.864 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 722 17.456 3.922 6.666 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 722 17.190 2.413 6.418 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 723 23.777 8.241 7.785 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 723 23.017 7.626 7.663 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 723 24.521 7.653 8.032 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 724 21.780 6.445 7.203 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 724 20.829 6.644 7.393 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 724 21.945 5.616 7.691 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 725 15.817 1.432 5.337 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 725 15.137 0.763 5.083 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 725 15.989 1.913 4.517 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 726 20.261 3.590 5.731 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 726 19.998 3.814 4.812 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 726 19.405 3.471 6.198 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 727 16.758 3.311 2.281 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 727 15.921 3.552 1.835 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 727 16.821 3.947 3.032 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 728 19.069 3.367 9.262 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 728 18.528 3.210 8.457 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 728 18.495 3.920 9.830 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 729 19.201 6.642 7.957 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 729 18.707 7.146 8.628 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 729 18.503 6.191 7.433 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 730 14.327 4.783 3.767 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 730 15.256 4.937 4.037 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 730 14.279 5.136 2.869 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 731 11.804 4.195 8.346 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 731 12.719 4.338 8.008 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 731 11.507 3.381 7.886 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 732 18.484 11.336 7.513 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 732 18.693 11.888 8.277 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 732 19.277 11.417 6.938 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 733 13.539 8.542 8.475 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 733 14.346 8.029 8.263 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 733 13.072 7.983 9.135 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 734 24.761 9.093 5.381 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 734 24.098 8.652 4.811 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 734 24.438 8.919 6.292 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 735 21.705 4.351 9.050 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 735 21.697 4.877 9.856 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 735 20.800 3.973 9.003 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 736 20.831 1.629 7.694 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 736 20.214 1.956 8.373 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 736 20.660 2.201 6.924 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 737 11.086 -3.342 3.556 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 737 11.438 -4.178 3.898 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 737 11.892 -2.826 3.321 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 738 16.296 -2.921 4.350 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 738 15.374 -2.710 4.097 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 738 16.424 -3.841 4.040 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 739 16.682 -5.536 3.403 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 739 16.218 -6.145 4.011 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 739 16.206 -5.643 2.550 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 740 13.468 -5.180 3.689 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 740 13.798 -5.444 2.809 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 740 13.523 -4.198 3.673 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 741 22.369 -2.687 -0.186 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 741 22.589 -3.506 0.311 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 741 23.223 -2.417 -0.588 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 742 25.226 1.155 6.062 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 742 25.707 0.387 5.683 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 742 24.561 0.750 6.659 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 743 14.401 4.296 7.482 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 743 15.039 4.509 6.781 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 743 14.425 3.319 7.539 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 744 33.423 -0.627 0.678 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 744 33.361 -1.601 0.561 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 744 33.174 -0.263 -0.201 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 745 22.510 7.605 4.759 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 745 21.665 8.018 4.562 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 745 22.343 7.102 5.583 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 746 15.844 11.368 7.924 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 746 15.401 10.674 7.420 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 746 16.802 11.238 7.728 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 747 23.402 -4.846 1.131 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 747 24.339 -4.608 1.276 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 747 23.360 -5.791 1.372 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 748 19.224 -3.813 6.684 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 748 18.490 -3.420 7.164 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 748 19.302 -3.266 5.874 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 749 26.780 4.062 2.359 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 749 26.790 4.758 1.693 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 749 27.054 4.526 3.196 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 750 12.892 11.176 8.952 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 750 13.085 10.229 8.776 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 750 13.585 11.446 9.589 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 751 12.674 6.428 10.022 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 751 12.183 5.710 9.592 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 751 13.419 5.975 10.464 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 752 26.320 4.147 7.005 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 752 26.203 5.023 7.425 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 752 25.586 3.610 7.374 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 753 23.971 3.019 8.131 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 753 23.826 2.070 8.298 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 753 23.191 3.457 8.537 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 754 27.976 2.256 5.794 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 754 27.466 2.932 6.294 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 754 27.556 1.415 6.037 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 755 27.955 -0.876 1.667 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 755 28.137 -0.009 2.079 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 755 27.004 -0.869 1.512 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 756 23.175 0.297 7.728 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 756 22.992 -0.572 8.102 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 756 22.285 0.727 7.673 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 757 24.760 -6.713 -2.722 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 757 24.708 -7.256 -3.548 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 757 23.878 -6.261 -2.673 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 758 27.010 -0.505 4.842 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 758 27.423 -1.354 4.641 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 758 27.272 0.070 4.099 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 759 25.901 -4.488 -1.517 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 759 25.716 -4.579 -0.561 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 759 25.444 -5.252 -1.922 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 760 14.912 -5.919 1.313 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 760 14.507 -5.036 1.111 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 760 15.052 -6.324 0.441 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 761 26.110 6.702 8.142 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 761 26.706 6.787 8.895 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 761 26.567 7.187 7.416 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 762 14.897 4.780 10.870 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 762 15.832 5.062 10.871 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 762 14.929 3.857 10.522 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 763 17.669 5.296 10.844 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 763 18.130 5.360 11.686 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 763 17.699 6.208 10.483 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 764 17.519 7.864 9.834 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 764 17.433 8.821 9.937 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 764 16.711 7.601 9.334 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 765 14.916 -7.218 4.758 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 765 14.483 -7.895 4.224 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 765 14.349 -6.421 4.639 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 766 11.901 -8.727 2.771 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 766 12.696 -9.243 3.040 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 766 12.261 -7.968 2.294 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 767 19.554 -6.465 6.228 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 767 19.705 -6.865 7.088 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 767 19.456 -5.503 6.424 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 768 27.222 8.027 6.053 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 768 27.870 8.121 5.309 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 768 26.390 8.403 5.691 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 769 26.408 16.765 -20.068 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 769 27.148 16.399 -19.521 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 769 26.841 17.049 -20.883 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 770 20.888 11.381 -20.923 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 770 20.350 12.042 -21.408 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 770 20.618 11.502 -19.987 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 771 28.505 15.848 -18.606 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 771 29.472 15.772 -18.501 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 771 28.164 14.991 -18.280 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 772 16.693 15.286 -22.099 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 772 17.647 15.513 -22.155 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 772 16.251 16.017 -22.541 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 773 29.429 15.473 -23.327 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 773 30.318 15.357 -23.659 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 773 29.090 14.558 -23.222 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 774 20.281 9.709 -23.027 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 774 21.087 9.214 -23.298 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 774 20.569 10.210 -22.233 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 775 24.628 13.448 -22.372 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 775 25.388 13.691 -22.911 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 775 24.349 14.291 -21.954 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 776 18.262 11.097 -24.224 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 776 19.046 10.644 -23.825 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 776 18.505 11.210 -25.151 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 777 23.980 15.710 -20.973 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 777 23.664 15.271 -20.152 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 777 24.817 16.142 -20.705 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 778 24.656 13.274 -14.207 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 778 24.347 14.144 -14.525 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 778 25.557 13.178 -14.602 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 779 15.515 11.525 -23.998 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 779 15.481 12.450 -23.734 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 779 16.467 11.346 -24.122 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 780 21.083 13.858 -17.025 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 780 21.372 13.702 -16.116 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 780 20.446 14.599 -16.948 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 781 19.374 15.745 -21.785 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 781 19.323 16.040 -20.847 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 781 19.474 14.774 -21.729 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 782 19.589 17.345 -14.414 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 782 19.481 17.777 -13.558 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 782 20.207 16.588 -14.223 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 783 17.012 13.489 -20.026 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 783 16.784 14.203 -20.662 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 783 16.188 13.361 -19.508 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 784 22.685 8.318 -23.398 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 784 22.242 7.452 -23.225 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 784 23.363 8.105 -24.058 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 785 16.557 16.293 -17.709 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 785 16.600 17.232 -17.403 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 785 16.930 16.319 -18.602 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 786 21.802 17.178 -22.011 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 786 22.559 16.581 -21.839 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 786 21.051 16.577 -22.173 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 787 19.711 19.140 -16.440 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 787 20.508 18.850 -16.948 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 787 19.715 18.561 -15.643 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 788 14.502 12.864 -19.003 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 788 13.828 13.072 -18.337 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 788 13.989 12.529 -19.768 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 789 18.951 12.987 -21.935 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 789 18.243 13.021 -21.255 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 789 18.540 12.528 -22.686 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 790 19.227 16.805 -19.253 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 790 19.522 16.553 -18.361 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 790 19.732 17.620 -19.451 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 791 25.025 12.371 -18.258 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 791 25.474 11.796 -18.922 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 791 24.718 11.757 -17.582 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 792 13.026 10.364 -23.514 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 792 13.844 10.830 -23.799 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 792 13.239 9.418 -23.635 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 793 12.771 18.115 -15.610 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 793 13.360 18.880 -15.732 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 793 13.324 17.344 -15.848 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 794 19.134 21.741 -15.990 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 794 19.095 22.192 -16.840 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 794 19.442 20.828 -16.213 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 795 14.508 15.963 -15.762 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 795 15.126 15.687 -15.053 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 795 15.059 15.962 -16.570 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 796 20.790 18.958 -20.270 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 796 21.227 18.363 -20.930 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 796 20.472 19.698 -20.797 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 797 22.222 20.368 -12.848 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 797 21.771 19.911 -12.102 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 797 21.556 21.004 -13.173 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 798 19.010 15.653 -16.589 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 798 19.129 16.297 -15.858 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 798 18.088 15.799 -16.891 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 799 19.553 12.222 -18.681 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 799 20.112 12.764 -18.084 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 799 18.822 12.812 -18.924 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 800 23.754 15.857 -14.880 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 800 22.807 15.613 -14.810 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 800 23.823 16.685 -14.352 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 801 24.396 17.158 -18.145 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 801 25.060 17.085 -18.861 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 801 24.022 16.252 -18.073 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 802 16.353 14.888 -13.920 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 802 15.889 14.115 -13.578 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 802 17.284 14.591 -13.999 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 803 18.862 13.820 -14.488 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 803 18.764 14.168 -15.391 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 803 19.688 14.250 -14.157 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 804 26.218 15.354 -16.075 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 804 26.658 16.220 -16.061 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 804 25.299 15.551 -15.801 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 805 23.362 14.603 -18.532 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 805 22.543 14.331 -18.068 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 805 23.961 13.832 -18.432 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 806 11.897 12.148 -17.016 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 806 12.402 12.661 -16.343 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 806 10.959 12.336 -16.797 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 807 10.372 9.604 -23.773 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 807 10.041 9.992 -24.589 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 807 11.231 10.056 -23.623 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 808 10.585 8.754 -18.948 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 808 11.124 8.024 -19.323 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 808 9.771 8.743 -19.479 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 809 23.538 11.058 -21.568 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 809 22.604 11.274 -21.370 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 809 23.919 11.908 -21.884 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 810 24.432 6.645 -25.296 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 810 24.432 5.723 -24.966 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 810 24.375 6.550 -26.251 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 811 28.799 12.776 -23.213 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 811 28.208 12.099 -22.839 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 811 29.329 12.284 -23.875 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 812 27.547 10.300 -22.622 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 812 28.363 9.773 -22.690 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 812 26.868 9.734 -23.040 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 813 25.189 25.781 -7.079 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 813 24.460 26.348 -6.797 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 813 25.139 25.016 -6.476 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 814 15.256 20.832 -5.628 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 814 15.122 21.470 -6.365 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 814 14.465 20.936 -5.079 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 815 19.134 16.785 -10.134 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 815 19.784 17.202 -9.522 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 815 19.689 16.416 -10.852 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 816 29.464 15.451 -4.653 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 816 30.066 15.751 -3.940 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 816 28.698 16.064 -4.593 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 817 23.921 23.494 -11.242 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 817 23.785 22.815 -10.533 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 817 24.434 24.203 -10.796 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 818 17.462 18.652 -9.092 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 818 17.716 18.485 -8.168 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 818 18.016 18.025 -9.607 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 819 24.970 22.299 -2.972 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 819 24.585 22.802 -3.722 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 819 25.352 21.514 -3.387 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 820 22.284 24.882 -6.888 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 820 21.400 25.283 -6.802 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 820 22.453 24.898 -7.849 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 821 25.106 25.510 -9.798 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 821 25.904 25.919 -10.149 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 821 25.219 25.560 -8.817 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 822 28.169 21.118 -2.892 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 822 28.029 22.068 -2.689 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 822 28.645 21.124 -3.745 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 823 25.034 21.314 -6.910 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 823 24.247 20.847 -6.535 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 823 25.789 20.738 -6.671 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 824 20.840 18.875 -11.117 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 824 20.944 17.950 -11.443 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 824 20.872 18.786 -10.129 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 825 18.440 17.394 -6.822 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 825 19.313 17.856 -6.773 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 825 18.600 16.658 -7.434 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 826 24.309 23.592 -5.472 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 826 23.479 23.942 -5.870 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 826 24.550 22.835 -6.047 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 827 23.382 17.813 -12.998 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 827 22.619 17.364 -12.583 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 827 23.131 18.755 -13.000 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 828 19.621 23.621 -2.138 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 828 18.715 23.334 -1.882 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 828 19.486 24.469 -2.572 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 829 20.163 26.345 -8.066 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 829 20.847 26.164 -8.736 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 829 19.853 27.251 -8.280 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 830 16.126 18.130 -5.342 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 830 16.875 17.875 -5.925 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 830 15.885 19.028 -5.644 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 831 14.672 22.607 -7.718 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 831 13.842 22.741 -8.226 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 831 15.261 23.324 -8.036 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 832 15.208 27.241 -9.483 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 832 15.512 26.319 -9.376 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 832 14.294 27.224 -9.189 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 833 23.681 17.268 0.101 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 833 22.863 17.626 -0.306 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 833 23.672 16.303 -0.137 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 834 17.565 21.220 -4.122 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 834 16.731 20.953 -4.571 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 834 18.027 21.750 -4.784 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 835 21.803 18.204 -17.846 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 835 22.725 17.882 -17.888 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 835 21.627 18.548 -18.746 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 836 17.861 16.551 -1.081 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 836 17.757 15.579 -1.058 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 836 17.184 16.876 -0.445 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 837 19.649 14.098 0.847 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 837 19.057 13.834 0.128 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 837 19.115 14.751 1.366 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 838 7.234 12.665 -9.928 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 838 7.745 12.060 -9.356 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 838 6.683 12.065 -10.476 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 839 17.113 22.567 -1.729 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 839 16.454 22.092 -1.209 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 839 17.197 22.043 -2.549 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 840 22.332 25.488 -9.615 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 840 23.275 25.718 -9.726 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 840 22.126 24.955 -10.393 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 841 27.326 23.717 -2.560 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 841 26.428 23.331 -2.611 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 841 27.177 24.665 -2.550 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 842 21.645 19.015 -0.670 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 842 20.758 18.828 -0.287 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 842 21.670 19.992 -0.734 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 843 17.460 16.281 -3.798 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 843 17.370 16.473 -2.844 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 843 16.826 16.892 -4.229 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 844 24.638 21.566 -13.102 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 844 23.820 21.025 -13.046 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 844 24.501 22.269 -12.439 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 845 19.577 19.516 -3.191 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 845 20.460 19.935 -3.214 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 845 18.971 20.217 -3.506 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 846 28.951 19.413 -12.222 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 846 28.520 19.206 -13.062 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 846 28.713 20.350 -12.060 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 847 16.389 20.318 -10.859 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 847 17.134 20.462 -11.482 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 847 16.781 19.745 -10.154 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 848 14.351 20.096 -8.994 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 848 14.552 20.884 -8.455 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 848 15.052 20.088 -9.674 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 849 22.859 20.186 -5.827 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 849 22.718 20.276 -4.861 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 849 22.155 19.565 -6.111 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 850 23.651 21.665 -9.285 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 850 24.237 21.613 -8.500 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 850 22.967 21.009 -9.112 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 851 20.207 22.169 -13.499 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 851 20.914 22.858 -13.506 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 851 19.865 22.167 -14.419 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 852 18.719 20.255 -12.282 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 852 19.244 21.024 -12.604 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 852 19.353 19.749 -11.729 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 853 19.452 28.876 -8.974 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 853 18.592 28.876 -9.453 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 853 19.714 29.798 -8.965 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 854 17.030 29.157 -10.235 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 854 16.482 29.769 -10.728 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 854 16.404 28.461 -9.932 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 855 17.186 20.436 -14.561 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 855 17.687 20.267 -13.736 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 855 17.763 21.045 -15.067 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 856 12.740 13.861 -15.098 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 856 13.161 14.724 -15.275 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 856 11.991 14.073 -14.499 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 857 14.005 22.653 -13.676 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 857 13.427 23.420 -13.723 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 857 14.433 22.727 -12.800 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 858 16.627 19.455 -1.329 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 858 17.304 19.532 -2.014 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 858 15.788 19.338 -1.833 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 859 17.009 18.752 -16.764 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 859 17.978 18.864 -16.833 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 859 16.760 19.326 -16.019 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 860 21.549 21.879 -1.259 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 860 20.856 22.527 -1.534 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 860 22.119 22.381 -0.661 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 861 22.480 23.629 -13.555 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 861 23.169 23.326 -14.161 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 861 22.936 23.687 -12.687 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 862 22.358 20.130 -3.159 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 862 22.243 20.956 -2.637 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 862 22.555 19.457 -2.488 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 863 16.211 17.454 0.897 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 863 16.080 18.278 0.392 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 863 15.656 17.572 1.697 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 864 19.086 18.690 0.217 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 864 18.393 19.318 -0.039 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 864 18.776 17.836 -0.142 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 865 21.924 17.120 2.844 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 865 22.396 17.958 2.679 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 865 21.852 17.073 3.824 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 866 26.369 18.267 -16.493 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 866 27.020 18.370 -17.195 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 866 25.560 17.964 -16.957 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 867 24.473 21.164 -0.325 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 867 24.632 21.678 -1.139 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 867 25.167 20.475 -0.337 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 868 11.635 16.778 -0.175 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 868 11.503 15.852 0.140 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 868 12.285 17.151 0.444 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 869 14.502 20.172 -14.767 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 869 15.459 20.385 -14.797 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 869 14.084 21.007 -14.456 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 870 27.647 21.825 -12.387 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 870 27.494 21.426 -13.268 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 870 26.764 21.934 -12.024 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 871 29.370 21.015 -5.459 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 871 29.669 21.871 -5.785 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 871 30.062 20.385 -5.770 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 872 26.727 20.227 -14.440 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 872 26.490 19.539 -15.093 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 872 25.866 20.573 -14.128 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 873 27.204 19.597 -6.347 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 873 27.904 20.154 -5.941 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 873 27.567 19.354 -7.206 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 874 26.873 17.917 2.385 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 874 27.420 17.234 1.930 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 874 26.067 17.427 2.654 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 875 25.972 18.811 -0.127 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 875 25.210 18.198 -0.178 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 875 26.356 18.641 0.756 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 876 27.406 12.120 1.647 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 876 27.579 11.667 0.817 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 876 26.681 12.755 1.429 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 877 16.005 24.521 -9.303 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 877 16.955 24.579 -9.471 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 877 15.661 23.985 -10.052 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 878 14.972 22.660 -11.083 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 878 15.431 21.790 -11.068 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 878 14.127 22.496 -10.604 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 879 16.264 16.229 10.200 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 879 15.424 15.927 9.791 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 879 16.382 17.142 9.849 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 880 21.540 12.063 10.223 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 880 22.304 12.044 10.806 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 880 21.817 11.524 9.450 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 881 16.659 18.553 8.814 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 881 17.477 19.053 8.726 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 881 16.293 18.537 7.923 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 882 17.330 12.635 11.685 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 882 17.713 12.244 12.474 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 882 17.670 13.554 11.681 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 883 24.744 19.214 4.229 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 883 24.233 19.377 3.406 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 883 25.649 19.077 3.920 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 884 21.563 16.780 5.567 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 884 22.217 17.380 5.989 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 884 21.498 16.029 6.182 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 885 23.331 18.745 6.515 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 885 23.895 18.912 5.722 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 885 23.044 19.624 6.789 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 886 14.720 16.535 5.438 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 886 14.617 16.981 4.567 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 886 13.830 16.610 5.851 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 887 18.233 15.253 11.811 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 887 17.491 15.633 11.278 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 887 18.310 15.850 12.564 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 888 23.526 19.439 1.800 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 888 23.684 20.259 1.292 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 888 23.514 18.740 1.120 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 889 17.398 16.574 4.640 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 889 17.961 17.213 5.125 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 889 16.504 16.716 5.002 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 890 21.684 14.477 7.571 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 890 21.092 14.472 8.358 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 890 22.356 15.172 7.783 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 891 10.317 10.839 8.020 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 891 10.062 10.039 8.519 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 891 11.205 11.057 8.365 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 892 12.225 16.397 6.523 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 892 11.803 16.111 5.674 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 892 11.480 16.641 7.083 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 893 17.677 14.637 8.512 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 893 18.573 14.527 8.889 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 893 17.219 15.214 9.154 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 894 14.167 15.493 8.500 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 894 13.638 15.022 9.187 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 894 13.501 15.783 7.849 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 895 18.149 15.870 2.137 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 895 18.017 16.114 3.083 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 895 17.454 16.372 1.669 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 896 23.565 16.356 7.804 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 896 24.478 16.011 7.707 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 896 23.626 17.288 7.506 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 897 26.126 14.941 4.649 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 897 26.856 14.372 4.316 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 897 25.774 15.373 3.847 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 898 14.679 18.123 3.191 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 898 14.940 19.011 3.455 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 898 13.840 18.261 2.682 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 899 24.063 12.993 6.970 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 899 24.740 13.685 7.136 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 899 23.216 13.460 7.082 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 900 20.874 12.064 6.489 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 900 21.099 12.970 6.782 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 900 21.522 11.496 6.957 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 901 22.739 10.813 8.067 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 901 23.129 9.913 8.025 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 901 23.446 11.398 7.724 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 902 10.939 15.887 4.154 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 902 10.611 16.505 3.471 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 902 10.494 15.041 3.944 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 903 15.000 12.233 10.349 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 903 15.779 12.377 10.932 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 903 15.395 11.983 9.484 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 904 19.564 18.591 2.989 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 904 20.253 17.915 2.877 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 904 19.282 18.793 2.077 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 905 19.217 18.333 5.683 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 905 19.267 18.659 4.756 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 905 20.022 17.793 5.786 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 906 24.886 16.097 2.395 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 906 25.167 15.303 1.868 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 906 24.303 16.586 1.788 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 907 25.877 15.007 7.310 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 907 26.760 14.865 7.665 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 907 26.014 15.051 6.329 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 908 28.332 10.251 7.279 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 908 28.050 9.345 7.067 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 908 27.570 10.808 7.003 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 909 12.874 13.986 10.346 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 909 13.635 13.395 10.524 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 909 12.133 13.383 10.214 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 910 28.246 13.299 3.916 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 910 28.654 12.605 4.471 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 910 27.958 12.817 3.104 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 911 10.646 12.959 6.253 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 911 10.327 12.198 6.789 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 911 9.953 13.094 5.595 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 912 20.051 14.299 9.836 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 912 19.637 14.611 10.666 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 912 20.534 13.480 10.099 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 913 13.305 12.874 6.832 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 913 12.396 13.041 6.490 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 913 13.160 12.302 7.613 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 914 26.165 11.370 6.079 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 914 25.461 12.019 6.268 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 914 25.699 10.639 5.629 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 915 28.160 -13.345 -20.919 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 915 27.434 -13.955 -21.138 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 915 28.268 -13.440 -19.949 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 916 32.248 -8.660 -15.751 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 916 32.188 -9.637 -15.716 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 916 31.563 -8.400 -16.402 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 917 27.853 -6.539 -20.675 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 917 27.632 -5.624 -20.981 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 917 27.901 -6.459 -19.694 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 918 28.639 -11.309 -22.659 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 918 29.595 -11.253 -22.735 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 918 28.493 -11.981 -21.949 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 919 27.271 -18.406 -8.498 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 919 27.196 -19.094 -9.164 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 919 27.120 -17.571 -8.995 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 920 32.310 -11.384 -15.317 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 920 31.841 -12.102 -14.827 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 920 32.805 -11.850 -15.997 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 921 27.465 -11.781 -3.586 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 921 27.020 -11.224 -4.266 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 921 27.479 -12.674 -3.986 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 922 29.026 -10.955 -7.923 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 922 28.376 -11.493 -7.431 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 922 29.475 -10.423 -7.225 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 923 31.149 -13.408 -13.920 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 923 30.886 -13.138 -13.016 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 923 30.415 -13.964 -14.224 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 924 34.712 -6.255 -6.209 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 924 35.043 -5.460 -6.659 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 924 35.326 -6.959 -6.493 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 925 33.211 -10.821 -0.889 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 925 33.836 -10.088 -0.946 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 925 33.745 -11.603 -1.057 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 926 29.848 -12.699 -11.579 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 926 29.092 -13.324 -11.583 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 926 29.956 -12.460 -10.648 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 927 30.508 -7.891 -2.220 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 927 29.846 -8.272 -2.826 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 927 30.601 -8.565 -1.518 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 928 31.594 -9.855 -13.045 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 928 31.923 -10.441 -13.752 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 928 32.252 -9.132 -13.007 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 929 27.027 -16.912 -6.209 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 929 27.141 -17.453 -7.025 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 929 27.531 -17.387 -5.540 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 930 31.039 -5.287 -2.629 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 930 30.861 -6.245 -2.450 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 930 31.906 -5.290 -3.103 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 931 33.401 -5.424 -3.930 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 931 33.938 -4.750 -3.458 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 931 33.958 -5.680 -4.695 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 932 30.052 -9.336 -5.967 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 932 30.829 -8.733 -5.966 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 932 29.672 -9.233 -5.079 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 933 32.083 -7.499 -5.639 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 933 32.865 -7.251 -6.160 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 933 32.197 -7.022 -4.805 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 934 28.342 -11.014 -13.235 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 934 29.021 -11.424 -12.665 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 934 28.679 -10.103 -13.392 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 935 33.087 -7.561 -13.376 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 935 32.916 -7.809 -14.315 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 935 33.820 -6.912 -13.428 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 936 32.492 1.781 -21.293 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 936 32.418 0.803 -21.157 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 936 32.956 1.865 -22.133 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 937 27.261 1.453 -27.804 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 937 27.372 0.499 -27.622 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 937 26.347 1.527 -28.138 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 938 27.170 -0.219 -24.043 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 938 26.390 -0.580 -24.514 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 938 27.509 -0.982 -23.515 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 939 29.548 -0.375 -25.576 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 939 28.988 -0.562 -26.345 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 939 28.916 -0.227 -24.856 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 940 31.945 -4.002 -19.776 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 940 31.685 -3.757 -20.687 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 940 31.117 -3.928 -19.264 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 941 30.988 -3.065 -22.270 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 941 30.156 -2.585 -22.474 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 941 30.947 -3.851 -22.839 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 942 31.854 4.349 -20.457 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 942 31.749 4.738 -21.356 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 942 32.105 3.417 -20.631 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 943 34.808 4.212 -15.820 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 943 34.904 3.275 -15.629 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 943 34.197 4.240 -16.591 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 944 30.082 1.610 -19.930 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 944 30.110 0.998 -19.173 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 944 30.982 1.567 -20.306 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 945 32.877 4.381 -17.786 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 945 31.958 4.132 -17.550 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 945 32.847 4.491 -18.755 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 946 28.648 2.848 -21.923 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 946 29.236 2.260 -21.407 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 946 28.778 3.727 -21.514 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 947 28.598 5.918 -23.438 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 947 27.861 5.861 -22.784 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 947 28.330 5.319 -24.151 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 948 29.559 7.351 -16.997 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 948 28.800 6.872 -16.599 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 948 30.342 6.864 -16.673 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 949 32.052 -0.824 -20.885 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 949 32.030 -1.136 -19.958 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 949 31.755 -1.597 -21.406 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 950 31.964 -1.483 -18.181 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 950 32.823 -1.901 -17.968 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 950 31.309 -2.205 -18.044 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 951 31.290 -7.142 -24.326 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 951 30.951 -6.237 -24.380 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 951 30.686 -7.584 -23.705 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 952 27.310 -1.240 -27.046 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 952 27.661 -2.039 -26.604 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 952 26.427 -1.115 -26.640 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 953 31.506 4.323 -13.584 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 953 31.975 5.013 -14.077 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 953 30.653 4.744 -13.336 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 954 31.066 3.720 -25.376 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 954 31.365 2.828 -25.577 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 954 30.201 3.791 -25.839 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 955 32.589 -3.873 -14.077 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 955 31.771 -3.316 -14.118 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 955 33.299 -3.282 -14.435 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 956 29.086 4.935 -20.223 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 956 29.987 4.564 -20.119 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 956 29.216 5.897 -20.123 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 957 29.187 -7.873 -22.640 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 957 28.884 -7.420 -21.822 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 957 28.858 -8.779 -22.543 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 958 31.756 11.251 -15.751 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 958 31.398 10.394 -15.440 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 958 31.129 11.529 -16.452 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 959 31.994 6.465 -15.795 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 959 32.935 6.754 -15.682 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 959 32.052 5.717 -16.418 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 960 29.670 -0.103 -17.529 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 960 30.552 -0.497 -17.692 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 960 29.151 -0.835 -17.140 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 961 33.883 -3.422 -17.889 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 961 33.373 -3.666 -18.695 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 961 33.916 -4.236 -17.377 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 962 31.112 -5.312 -15.929 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 962 30.383 -5.583 -15.324 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 962 31.755 -4.869 -15.340 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 963 31.233 5.160 -23.003 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 963 30.298 5.439 -23.042 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 963 31.370 4.677 -23.848 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 964 29.406 -5.163 -23.620 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 964 29.146 -6.085 -23.431 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 964 28.779 -4.626 -23.092 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 965 23.726 -4.964 -23.676 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 965 22.806 -4.754 -23.393 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 965 23.907 -4.331 -24.400 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 966 29.905 7.525 -19.682 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 966 29.777 7.537 -18.703 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 966 30.861 7.459 -19.794 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 967 30.246 -7.534 -17.263 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 967 30.684 -6.724 -16.926 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 967 29.425 -7.201 -17.685 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 968 38.864 5.061 -6.663 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 968 38.980 5.096 -7.641 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 968 39.274 5.884 -6.351 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 969 37.679 3.159 -5.150 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 969 37.997 2.330 -5.526 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 969 38.166 3.858 -5.657 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 970 39.756 7.888 -6.833 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 970 38.898 8.339 -6.734 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 970 39.863 7.790 -7.798 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 971 35.422 4.612 -4.791 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 971 34.650 4.073 -5.018 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 971 36.182 3.998 -4.876 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 972 35.419 -5.200 -10.467 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 972 35.757 -4.280 -10.470 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 972 35.115 -5.343 -11.388 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 973 34.731 -0.797 -3.372 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 973 34.591 -0.506 -4.298 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 973 35.499 -0.263 -3.065 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 974 39.251 5.516 -9.307 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 974 39.465 6.429 -9.581 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 974 39.011 5.064 -10.140 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 975 31.129 0.471 -5.754 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 975 30.529 1.039 -6.293 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 975 30.683 -0.383 -5.730 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 976 36.267 -1.104 -7.061 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 976 35.453 -0.747 -6.660 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 976 36.256 -0.756 -7.976 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 977 36.476 2.016 -12.731 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 977 35.544 2.250 -12.871 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 977 36.614 2.153 -11.773 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 978 34.174 10.764 0.206 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 978 33.249 10.929 0.478 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 978 34.217 9.790 0.095 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 979 39.696 8.288 -9.632 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 979 40.258 9.072 -9.558 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 979 38.869 8.628 -10.039 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 980 34.870 6.796 -3.341 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 980 35.039 6.110 -4.027 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 980 34.953 6.306 -2.498 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 981 37.132 12.322 -9.107 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 981 36.532 12.999 -8.746 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 981 36.562 11.795 -9.699 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 982 37.419 -3.321 -5.864 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 982 37.074 -2.453 -6.165 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 982 37.178 -3.934 -6.585 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 983 33.994 0.172 -5.949 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 983 33.019 0.224 -5.900 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 983 34.239 0.876 -6.586 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 984 36.781 2.596 -10.036 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 984 37.358 3.294 -10.422 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 984 36.376 3.020 -9.270 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 985 26.155 0.461 -6.218 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 985 25.205 0.626 -6.355 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 985 26.289 -0.444 -6.567 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 986 28.349 -3.883 -12.651 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 986 28.228 -3.658 -11.710 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 986 27.724 -3.281 -13.130 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 987 36.639 -5.005 -7.936 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 987 36.163 -5.044 -8.789 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 987 36.899 -5.934 -7.768 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 988 34.746 -5.346 -13.197 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 988 35.518 -4.741 -13.273 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 988 33.995 -4.813 -13.532 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 989 34.594 -2.446 -15.114 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 989 34.768 -2.358 -16.062 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 989 35.186 -1.787 -14.695 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 990 36.219 -0.149 -9.689 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 990 36.608 0.747 -9.742 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 990 35.442 -0.105 -10.286 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 991 31.108 -3.350 -10.386 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 991 31.381 -4.168 -10.845 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 991 30.154 -3.459 -10.254 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 992 36.817 -2.837 -10.089 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 992 36.659 -1.877 -9.950 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 992 37.108 -3.155 -9.221 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 993 35.970 -0.629 -13.534 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 993 35.317 -0.515 -12.812 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 993 36.488 0.200 -13.512 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 994 38.452 -1.255 -1.534 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 994 39.295 -0.938 -1.866 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 994 37.806 -0.582 -1.838 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 995 38.194 4.344 -11.598 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 995 38.031 5.280 -11.873 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 995 38.048 3.830 -12.406 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 996 34.456 2.512 -0.200 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 996 33.938 1.932 -0.802 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 996 35.168 1.928 0.137 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 997 36.740 8.621 -4.476 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 997 36.143 7.933 -4.114 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 997 37.174 9.003 -3.687 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 998 35.117 7.635 -12.881 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 998 34.182 7.911 -12.744 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 998 35.602 8.487 -12.975 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 999 33.605 2.632 -12.521 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 999 32.820 3.012 -12.964 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 999 34.025 3.408 -12.083 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1000 37.676 6.924 -12.161 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1000 36.791 7.021 -12.557 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1000 37.785 7.732 -11.624 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1001 36.595 -3.297 -12.833 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1001 36.862 -3.161 -11.904 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1001 36.475 -2.394 -13.180 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1002 37.346 9.258 -10.698 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1002 36.871 9.677 -11.455 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1002 36.692 9.266 -9.973 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1003 34.905 -7.718 -9.570 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1003 35.005 -6.789 -9.879 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1003 34.249 -8.096 -10.167 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1004 34.574 5.031 -11.618 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1004 34.517 5.473 -10.744 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1004 34.793 5.752 -12.231 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1005 30.196 -2.691 -14.387 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1005 29.667 -3.036 -13.640 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1005 29.527 -2.459 -15.063 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1006 28.468 -9.143 -3.686 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1006 27.745 -9.211 -4.348 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1006 28.510 -10.034 -3.294 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1007 36.325 7.760 5.108 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1007 36.785 8.424 5.629 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1007 35.370 7.970 5.240 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1008 34.598 6.916 -15.478 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1008 34.880 7.125 -14.569 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1008 34.909 5.996 -15.621 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1009 35.235 4.912 -1.316 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1009 35.531 5.416 -0.530 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1009 34.885 4.072 -0.943 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1010 34.129 0.030 -11.537 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1010 33.810 0.899 -11.870 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1010 33.335 -0.526 -11.521 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1011 36.662 0.711 -2.119 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1011 36.950 1.648 -2.227 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1011 36.409 0.648 -1.174 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1012 37.194 -3.624 -1.307 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1012 37.591 -4.142 -2.045 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1012 37.694 -2.773 -1.320 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1013 38.267 -4.614 -3.591 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1013 38.876 -5.228 -4.005 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1013 37.940 -4.060 -4.338 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1014 37.367 3.336 -2.337 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1014 37.542 3.445 -3.291 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1014 36.697 4.015 -2.136 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1015 34.672 -3.416 -2.471 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1015 34.676 -2.510 -2.857 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1015 35.588 -3.538 -2.141 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1016 26.151 -4.796 1.261 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1016 26.983 -4.308 1.079 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1016 26.447 -5.648 1.619 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1017 36.115 10.178 -12.907 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1017 36.819 10.812 -13.181 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1017 35.286 10.615 -13.182 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1018 37.961 9.913 -2.320 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1018 38.448 9.332 -1.728 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1018 38.667 10.450 -2.764 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1019 40.084 11.041 -3.537 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1019 40.138 10.792 -4.479 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1019 40.988 11.350 -3.326 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1020 37.481 9.535 -6.881 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1020 36.770 9.298 -7.519 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1020 37.169 9.158 -6.021 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1021 42.705 11.480 -4.298 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1021 42.218 11.059 -5.038 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1021 43.581 11.640 -4.651 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1022 29.302 -8.537 -13.560 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1022 30.201 -8.915 -13.430 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1022 29.461 -7.690 -14.024 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1023 36.690 -7.762 -7.555 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1023 37.263 -8.528 -7.648 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1023 36.036 -7.857 -8.292 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1024 32.680 8.844 -12.648 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1024 31.794 8.794 -13.046 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1024 32.515 9.140 -11.723 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1025 31.689 -5.531 -12.022 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1025 32.048 -6.382 -12.337 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1025 31.953 -4.893 -12.713 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1026 27.533 -6.665 -2.783 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1026 26.580 -6.840 -2.644 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1026 27.915 -7.547 -2.956 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1027 36.009 -3.755 1.122 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1027 36.454 -3.710 0.244 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1027 36.601 -4.286 1.659 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1028 30.739 8.796 -14.900 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1028 31.358 8.056 -15.064 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1028 30.012 8.636 -15.527 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1029 27.543 5.393 4.519 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1029 27.315 5.130 5.427 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1029 27.852 6.313 4.606 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1030 35.971 0.365 0.559 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1030 36.596 -0.162 1.073 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1030 35.109 -0.096 0.683 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1031 32.424 7.893 2.142 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1031 31.454 8.036 2.007 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1031 32.675 8.600 2.763 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1032 31.913 2.106 -3.629 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1032 32.208 2.907 -4.102 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1032 31.604 1.510 -4.340 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1033 34.042 8.066 -0.070 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1033 34.761 7.451 0.179 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1033 33.377 7.958 0.642 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1034 36.229 6.535 0.646 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1034 37.023 6.917 0.257 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1034 36.503 6.296 1.565 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1035 30.295 3.171 4.726 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1035 29.538 2.779 5.213 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1035 30.599 3.886 5.298 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1036 36.916 5.950 3.174 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1036 36.718 6.632 3.862 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1036 37.378 5.257 3.657 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1037 33.617 5.439 2.287 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1037 33.316 6.372 2.288 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1037 34.578 5.500 2.376 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1038 33.085 0.631 -1.695 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1038 32.548 1.196 -2.298 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1038 33.593 0.051 -2.304 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1039 30.826 6.048 4.148 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1039 31.591 6.638 4.205 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1039 30.055 6.657 4.172 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1040 32.732 1.747 1.847 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1040 32.834 0.784 1.691 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1040 33.403 2.153 1.265 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1041 33.559 -3.277 0.073 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1041 34.354 -3.504 0.611 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1041 33.851 -3.420 -0.853 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1042 33.751 8.551 5.654 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1042 32.980 8.835 5.113 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1042 33.527 8.831 6.545 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1043 31.383 10.656 0.944 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1043 30.814 9.915 1.256 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1043 31.018 11.431 1.381 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1044 28.422 -3.352 0.536 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1044 29.391 -3.506 0.429 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1044 28.368 -2.471 0.970 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1045 29.897 12.012 -17.816 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1045 29.056 12.500 -17.650 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1045 29.730 11.527 -18.633 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1046 31.293 14.517 -13.568 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1046 30.573 14.513 -12.903 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1046 31.966 15.121 -13.184 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1047 27.523 13.453 -17.634 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1047 27.214 14.047 -16.911 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1047 26.699 13.061 -17.983 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1048 26.540 10.765 -19.931 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1048 26.644 11.124 -20.829 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1048 26.963 9.884 -19.980 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1049 30.929 14.661 -17.770 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1049 30.749 13.725 -17.974 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1049 31.730 14.631 -17.202 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1050 33.556 11.307 -13.563 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1050 33.245 10.447 -13.214 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1050 33.015 11.444 -14.367 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1051 30.580 17.471 -11.234 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1051 30.886 17.758 -10.353 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1051 30.029 18.227 -11.557 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1052 31.819 17.509 -8.690 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1052 31.536 16.809 -8.064 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1052 32.628 17.141 -9.108 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1053 32.496 9.947 -10.161 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1053 31.880 10.608 -9.818 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1053 32.531 9.254 -9.449 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1054 31.297 15.750 -6.612 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1054 31.808 16.342 -6.022 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1054 30.488 15.538 -6.089 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1055 32.133 13.550 -8.084 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1055 31.730 14.359 -7.700 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1055 31.522 13.302 -8.814 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1056 35.084 13.365 -3.061 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1056 35.584 12.990 -2.296 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1056 35.757 13.869 -3.561 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1057 34.561 16.259 -6.891 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1057 35.138 16.402 -6.108 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1057 33.731 16.702 -6.650 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1058 40.950 10.343 -6.120 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1058 40.564 10.751 -6.926 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1058 40.774 9.387 -6.232 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1059 35.459 16.704 -4.358 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1059 36.106 15.972 -4.311 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1059 35.450 17.076 -3.442 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1060 34.049 16.225 -9.572 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1060 34.254 15.297 -9.765 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1060 34.420 16.370 -8.674 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1061 29.611 16.796 -0.808 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1061 29.039 17.492 -1.202 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1061 30.138 17.272 -0.124 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1062 29.374 15.042 -11.668 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1062 28.434 15.209 -11.916 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1062 29.748 15.941 -11.531 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1063 32.932 12.857 -5.540 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1063 32.510 13.605 -5.098 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1063 32.654 12.944 -6.475 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1064 32.837 16.107 -12.030 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1064 33.391 16.346 -11.261 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1064 32.032 16.659 -11.922 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1065 35.040 13.704 -7.876 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1065 34.973 14.592 -7.467 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1065 34.109 13.449 -8.042 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1066 37.099 14.430 -4.594 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1066 38.055 14.480 -4.464 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1066 36.976 13.632 -5.154 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1067 30.135 12.982 -9.990 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1067 29.947 13.760 -10.558 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1067 29.544 12.288 -10.342 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1068 36.531 12.131 -6.042 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1068 37.064 11.455 -6.506 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1068 36.041 12.584 -6.761 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1069 27.925 18.573 -2.037 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1069 27.179 18.651 -1.404 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1069 28.113 19.505 -2.301 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1070 39.375 10.961 -8.263 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1070 38.807 11.616 -8.721 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1070 38.737 10.380 -7.801 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1071 35.386 17.826 -1.866 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1071 34.840 17.668 -1.061 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1071 35.788 18.684 -1.708 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1072 34.895 11.288 -10.300 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1072 34.765 12.138 -10.776 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1072 34.051 10.811 -10.435 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1073 34.136 13.444 -11.797 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1073 33.663 14.261 -12.029 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1073 33.881 12.810 -12.500 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1074 29.292 14.462 -15.479 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1074 29.990 14.540 -14.801 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1074 29.740 14.701 -16.310 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1075 32.754 17.467 -5.003 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1075 33.671 17.396 -4.667 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1075 32.195 17.288 -4.207 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1076 31.090 18.003 1.175 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1076 30.486 18.512 1.760 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1076 31.713 17.567 1.798 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1077 29.248 19.278 2.798 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1077 28.407 18.778 2.795 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1077 28.978 20.194 2.887 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1078 33.919 17.910 0.444 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1078 32.981 18.064 0.256 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1078 33.929 17.627 1.377 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1079 29.525 15.595 3.216 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1079 29.087 15.769 2.361 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1079 29.135 14.745 3.513 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1080 36.302 11.970 -1.106 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1080 36.893 11.231 -1.330 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1080 35.661 11.583 -0.469 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1081 32.917 16.914 2.906 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1081 32.552 16.859 3.806 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1081 33.230 15.999 2.720 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1082 31.215 19.324 -6.625 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1082 31.752 18.825 -5.982 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1082 31.424 18.906 -7.485 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1083 27.848 15.735 1.038 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1083 28.403 15.810 0.229 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1083 27.224 15.008 0.838 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1084 31.302 16.497 -2.917 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1084 30.700 16.652 -2.156 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1084 31.951 15.836 -2.574 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1085 27.545 17.397 -4.508 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1085 27.294 18.173 -5.037 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1085 27.666 17.753 -3.601 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1086 35.431 9.211 -8.639 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1086 35.165 10.016 -9.134 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1086 34.709 9.093 -7.966 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1087 34.372 6.583 -9.388 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1087 35.073 7.254 -9.430 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1087 33.596 7.076 -9.021 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1088 32.704 13.896 -15.846 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1088 32.267 14.135 -15.004 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1088 32.609 12.929 -15.895 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1089 37.661 12.274 -13.682 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1089 37.636 13.066 -13.132 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1089 37.982 12.585 -14.534 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1090 32.979 14.631 -1.936 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1090 33.757 14.218 -2.372 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1090 33.074 14.390 -1.008 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1091 33.597 14.284 2.632 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1091 33.002 13.894 3.310 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1091 34.291 13.629 2.522 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1092 31.898 13.388 4.589 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1092 31.686 14.283 4.918 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1092 31.127 12.854 4.832 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1093 29.646 11.252 5.117 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1093 29.171 10.606 4.569 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1093 29.390 11.017 6.038 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1094 31.481 9.317 4.369 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1094 30.705 8.953 3.888 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1094 31.186 10.201 4.656 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1095 31.295 16.133 5.125 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1095 30.811 16.710 5.721 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1095 30.689 16.026 4.348 1.00 0.00 WAT1 END