REMARK FILENAME="resa_18_waterIni.pdb" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:29-Apr-2011 14:40:28 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 4.332 8.795 13.360 1.00 62.40 A ATOM 2 CB MET 1 6.162 7.785 13.819 1.00 64.44 A ATOM 3 HB1 MET 1 6.429 8.023 12.800 1.00 42.12 A ATOM 4 HB2 MET 1 6.403 6.750 14.013 1.00 74.05 A ATOM 5 CG MET 1 7.001 8.650 14.745 1.00 14.32 A ATOM 6 HG1 MET 1 6.453 9.556 14.961 1.00 24.03 A ATOM 7 HG2 MET 1 7.924 8.901 14.245 1.00 41.11 A ATOM 8 SD MET 1 7.393 7.826 16.300 1.00 32.10 A ATOM 9 CE MET 1 8.084 9.185 17.239 1.00 44.40 A ATOM 10 HE1 MET 1 8.827 9.694 16.643 1.00 63.14 A ATOM 11 HE2 MET 1 7.298 9.877 17.502 1.00 43.50 A ATOM 12 HE3 MET 1 8.545 8.803 18.139 1.00 53.52 A ATOM 13 C MET 1 3.913 6.714 13.585 1.00 64.12 A ATOM 14 O MET 1 4.144 5.640 14.142 1.00 12.52 A ATOM 15 N MET 1 4.349 8.342 15.373 1.00 12.22 A ATOM 16 HT1 MET 1 4.673 7.610 16.035 1.00 37.88 A ATOM 17 HT2 MET 1 3.315 8.430 15.484 1.00 37.88 A ATOM 18 HT3 MET 1 4.760 9.255 15.638 1.00 37.88 A ATOM 19 CA MET 1 4.655 7.982 13.994 1.00 45.44 A ATOM 20 N LYS 2 3.022 6.844 12.609 1.00 54.14 A ATOM 21 HN LYS 2 2.882 7.726 12.203 1.00 2.12 A ATOM 22 CA LYS 2 2.246 5.709 12.124 1.00 72.41 A ATOM 23 HA LYS 2 2.720 4.807 12.480 1.00 32.41 A ATOM 24 CB LYS 2 0.818 5.770 12.670 1.00 55.10 A ATOM 25 HB1 LYS 2 0.492 6.801 12.679 1.00 64.44 A ATOM 26 HB2 LYS 2 0.815 5.393 13.682 1.00 62.41 A ATOM 27 CG LYS 2 -0.180 4.963 11.857 1.00 23.32 A ATOM 28 HG1 LYS 2 0.338 4.140 11.384 1.00 34.35 A ATOM 29 HG2 LYS 2 -0.613 5.599 11.101 1.00 55.54 A ATOM 30 CD LYS 2 -1.293 4.409 12.731 1.00 40.22 A ATOM 31 HD1 LYS 2 -0.856 3.824 13.528 1.00 51.40 A ATOM 32 HD2 LYS 2 -1.932 3.780 12.129 1.00 11.03 A ATOM 33 CE LYS 2 -2.132 5.524 13.337 1.00 23.34 A ATOM 34 HE1 LYS 2 -2.945 5.751 12.664 1.00 12.04 A ATOM 35 HE2 LYS 2 -1.511 6.398 13.459 1.00 21.05 A ATOM 36 NZ LYS 2 -2.692 5.138 14.662 1.00 2.02 A ATOM 37 HZ1 LYS 2 -2.466 5.865 15.371 1.00 51.43 A ATOM 38 HZ2 LYS 2 -2.286 4.232 14.971 1.00 34.25 A ATOM 39 HZ3 LYS 2 -3.725 5.040 14.599 1.00 71.23 A ATOM 40 C LYS 2 2.218 5.680 10.599 1.00 14.21 A ATOM 41 O LYS 2 1.445 6.404 9.970 1.00 60.21 A ATOM 42 N ILE 3 3.063 4.840 10.012 1.00 72.22 A ATOM 43 HN ILE 3 3.653 4.290 10.567 1.00 22.42 A ATOM 44 CA ILE 3 3.132 4.716 8.561 1.00 11.11 A ATOM 45 HA ILE 3 2.750 5.631 8.130 1.00 25.34 A ATOM 46 CB ILE 3 4.582 4.522 8.081 1.00 3.11 A ATOM 47 HB ILE 3 4.971 3.623 8.535 1.00 51.32 A ATOM 48 CG1 ILE 3 5.447 5.711 8.506 1.00 54.00 A ATOM 49 HG11 ILE 3 5.146 6.030 9.493 1.00 13.35 A ATOM 50 HG12 ILE 3 5.299 6.522 7.810 1.00 25.03 A ATOM 51 CG2 ILE 3 4.621 4.345 6.571 1.00 41.15 A ATOM 52 HG21 ILE 3 3.729 4.770 6.135 1.00 14.14 A ATOM 53 HG22 ILE 3 5.489 4.848 6.172 1.00 43.02 A ATOM 54 HG23 ILE 3 4.672 3.294 6.332 1.00 24.51 A ATOM 55 CD1 ILE 3 6.926 5.398 8.548 1.00 11.23 A ATOM 56 HD11 ILE 3 7.077 4.344 8.367 1.00 12.23 A ATOM 57 HD12 ILE 3 7.438 5.972 7.790 1.00 34.43 A ATOM 58 HD13 ILE 3 7.320 5.655 9.521 1.00 3.21 A ATOM 59 C ILE 3 2.285 3.548 8.068 1.00 15.01 A ATOM 60 O ILE 3 2.203 2.507 8.721 1.00 62.42 A ATOM 61 N LEU 4 1.656 3.727 6.911 1.00 2.15 A ATOM 62 HN LEU 4 1.759 4.578 6.438 1.00 42.24 A ATOM 63 CA LEU 4 0.816 2.687 6.328 1.00 14.14 A ATOM 64 HA LEU 4 1.079 1.749 6.794 1.00 72.12 A ATOM 65 CB LEU 4 -0.660 2.983 6.603 1.00 61.04 A ATOM 66 HB1 LEU 4 -1.200 2.049 6.544 1.00 31.44 A ATOM 67 HB2 LEU 4 -1.013 3.649 5.830 1.00 24.12 A ATOM 68 CG LEU 4 -0.976 3.625 7.954 1.00 21.31 A ATOM 69 HG LEU 4 -0.338 4.486 8.094 1.00 4.24 A ATOM 70 CD1 LEU 4 -2.420 4.100 7.995 1.00 60.22 A ATOM 71 HD11 LEU 4 -3.048 3.309 8.375 1.00 35.11 A ATOM 72 HD12 LEU 4 -2.739 4.366 6.998 1.00 35.01 A ATOM 73 HD13 LEU 4 -2.497 4.963 8.640 1.00 43.25 A ATOM 74 CD2 LEU 4 -0.703 2.645 9.086 1.00 4.44 A ATOM 75 HD21 LEU 4 -0.510 1.665 8.675 1.00 2.44 A ATOM 76 HD22 LEU 4 -1.563 2.599 9.738 1.00 53.31 A ATOM 77 HD23 LEU 4 0.158 2.976 9.648 1.00 10.24 A ATOM 78 C LEU 4 1.053 2.574 4.826 1.00 53.01 A ATOM 79 O LEU 4 0.868 3.539 4.084 1.00 13.42 A ATOM 80 N ILE 5 1.461 1.389 4.384 1.00 13.30 A ATOM 81 HN ILE 5 1.590 0.659 5.024 1.00 21.11 A ATOM 82 CA ILE 5 1.719 1.150 2.970 1.00 64.43 A ATOM 83 HA ILE 5 2.069 2.075 2.534 1.00 72.42 A ATOM 84 CB ILE 5 2.808 0.078 2.770 1.00 14.21 A ATOM 85 HB ILE 5 2.448 -0.850 3.186 1.00 74.42 A ATOM 86 CG1 ILE 5 4.093 0.485 3.493 1.00 63.01 A ATOM 87 HG11 ILE 5 4.802 -0.329 3.436 1.00 41.41 A ATOM 88 HG12 ILE 5 3.868 0.688 4.528 1.00 42.10 A ATOM 89 CG2 ILE 5 3.073 -0.138 1.288 1.00 54.34 A ATOM 90 HG21 ILE 5 3.868 -0.858 1.165 1.00 2.14 A ATOM 91 HG22 ILE 5 2.177 -0.509 0.813 1.00 52.54 A ATOM 92 HG23 ILE 5 3.361 0.798 0.833 1.00 11.00 A ATOM 93 CD1 ILE 5 4.750 1.717 2.910 1.00 23.33 A ATOM 94 HD11 ILE 5 4.047 2.234 2.275 1.00 72.25 A ATOM 95 HD12 ILE 5 5.063 2.371 3.710 1.00 70.11 A ATOM 96 HD13 ILE 5 5.612 1.423 2.328 1.00 50.32 A ATOM 97 C ILE 5 0.451 0.711 2.245 1.00 1.25 A ATOM 98 O ILE 5 -0.154 -0.305 2.590 1.00 14.53 A ATOM 99 N LEU 6 0.055 1.482 1.239 1.00 51.21 A ATOM 100 HN LEU 6 0.578 2.278 1.011 1.00 42.30 A ATOM 101 CA LEU 6 -1.141 1.173 0.463 1.00 32.11 A ATOM 102 HA LEU 6 -1.760 0.516 1.056 1.00 62.30 A ATOM 103 CB LEU 6 -1.922 2.453 0.160 1.00 44.11 A ATOM 104 HB1 LEU 6 -1.536 2.864 -0.762 1.00 61.14 A ATOM 105 HB2 LEU 6 -1.741 3.149 0.965 1.00 63.13 A ATOM 106 CG LEU 6 -3.435 2.296 0.008 1.00 50.53 A ATOM 107 HG LEU 6 -3.876 3.270 -0.158 1.00 74.45 A ATOM 108 CD1 LEU 6 -3.763 1.422 -1.192 1.00 52.05 A ATOM 109 HD11 LEU 6 -3.194 1.756 -2.047 1.00 73.50 A ATOM 110 HD12 LEU 6 -4.818 1.493 -1.412 1.00 12.40 A ATOM 111 HD13 LEU 6 -3.511 0.396 -0.969 1.00 60.44 A ATOM 112 CD2 LEU 6 -4.041 1.714 1.276 1.00 31.21 A ATOM 113 HD21 LEU 6 -4.723 2.430 1.710 1.00 34.32 A ATOM 114 HD22 LEU 6 -3.254 1.493 1.983 1.00 61.14 A ATOM 115 HD23 LEU 6 -4.575 0.807 1.036 1.00 72.30 A ATOM 116 C LEU 6 -0.778 0.465 -0.838 1.00 72.23 A ATOM 117 O LEU 6 -0.160 1.054 -1.725 1.00 50.13 A ATOM 118 N ILE 7 -1.168 -0.801 -0.946 1.00 12.22 A ATOM 119 HN ILE 7 -1.657 -1.215 -0.205 1.00 14.01 A ATOM 120 CA ILE 7 -0.887 -1.588 -2.140 1.00 44.41 A ATOM 121 HA ILE 7 -0.596 -0.906 -2.927 1.00 34.21 A ATOM 122 CB ILE 7 0.271 -2.576 -1.903 1.00 53.13 A ATOM 123 HB ILE 7 -0.013 -3.242 -1.103 1.00 64.20 A ATOM 124 CG1 ILE 7 1.540 -1.822 -1.501 1.00 51.12 A ATOM 125 HG11 ILE 7 1.264 -0.944 -0.934 1.00 72.44 A ATOM 126 HG12 ILE 7 2.068 -1.518 -2.391 1.00 60.22 A ATOM 127 CG2 ILE 7 0.517 -3.411 -3.151 1.00 21.54 A ATOM 128 HG21 ILE 7 -0.349 -4.026 -3.349 1.00 24.13 A ATOM 129 HG22 ILE 7 0.694 -2.758 -3.992 1.00 33.32 A ATOM 130 HG23 ILE 7 1.379 -4.043 -2.997 1.00 3.31 A ATOM 131 CD1 ILE 7 2.488 -2.643 -0.656 1.00 23.00 A ATOM 132 HD11 ILE 7 1.998 -2.926 0.264 1.00 5.42 A ATOM 133 HD12 ILE 7 2.778 -3.530 -1.198 1.00 63.30 A ATOM 134 HD13 ILE 7 3.367 -2.057 -0.429 1.00 44.21 A ATOM 135 C ILE 7 -2.119 -2.364 -2.590 1.00 74.21 A ATOM 136 O ILE 7 -2.652 -3.188 -1.848 1.00 4.15 A ATOM 137 N ASN 8 -2.567 -2.096 -3.813 1.00 31.45 A ATOM 138 HN ASN 8 -2.100 -1.429 -4.357 1.00 51.05 A ATOM 139 CA ASN 8 -3.737 -2.771 -4.363 1.00 20.11 A ATOM 140 HA ASN 8 -4.188 -3.351 -3.572 1.00 0.34 A ATOM 141 CB ASN 8 -4.753 -1.745 -4.869 1.00 4.31 A ATOM 142 HB1 ASN 8 -4.349 -1.245 -5.736 1.00 50.34 A ATOM 143 HB2 ASN 8 -4.937 -1.017 -4.092 1.00 52.00 A ATOM 144 CG ASN 8 -6.075 -2.380 -5.252 1.00 60.43 A ATOM 145 OD1 ASN 8 -6.261 -2.816 -6.389 1.00 24.13 A ATOM 146 ND2 ASN 8 -7.002 -2.436 -4.303 1.00 41.30 A ATOM 147 HD21 ASN 8 -6.784 -2.069 -3.421 1.00 10.43 A ATOM 148 HD22 ASN 8 -7.866 -2.842 -4.524 1.00 21.25 A ATOM 149 C ASN 8 -3.339 -3.711 -5.497 1.00 34.32 A ATOM 150 O ASN 8 -2.871 -3.272 -6.548 1.00 20.23 A ATOM 151 N THR 9 -3.530 -5.009 -5.277 1.00 41.40 A ATOM 152 HN THR 9 -3.907 -5.297 -4.420 1.00 3.35 A ATOM 153 CA THR 9 -3.191 -6.011 -6.279 1.00 32.41 A ATOM 154 HA THR 9 -2.872 -5.495 -7.173 1.00 33.22 A ATOM 155 CB THR 9 -2.037 -6.913 -5.803 1.00 64.12 A ATOM 156 HB THR 9 -1.105 -6.385 -5.948 1.00 63.53 A ATOM 157 OG1 THR 9 -2.012 -8.123 -6.569 1.00 14.11 A ATOM 158 HG1 THR 9 -1.255 -8.113 -7.160 1.00 13.14 A ATOM 159 CG2 THR 9 -2.182 -7.245 -4.326 1.00 15.02 A ATOM 160 HG21 THR 9 -1.641 -6.518 -3.738 1.00 62.44 A ATOM 161 HG22 THR 9 -1.783 -8.230 -4.137 1.00 75.52 A ATOM 162 HG23 THR 9 -3.227 -7.221 -4.053 1.00 42.04 A ATOM 163 C THR 9 -4.396 -6.883 -6.614 1.00 54.41 A ATOM 164 O THR 9 -5.207 -7.198 -5.744 1.00 54.54 A ATOM 165 N ASN 10 -4.507 -7.270 -7.881 1.00 1.42 A ATOM 166 HN ASN 10 -3.828 -6.986 -8.529 1.00 33.24 A ATOM 167 CA ASN 10 -5.614 -8.105 -8.331 1.00 31.53 A ATOM 168 HA ASN 10 -6.445 -7.944 -7.660 1.00 64.41 A ATOM 169 CB ASN 10 -6.035 -7.711 -9.748 1.00 31.11 A ATOM 170 HB1 ASN 10 -6.491 -8.561 -10.232 1.00 34.54 A ATOM 171 HB2 ASN 10 -5.160 -7.411 -10.306 1.00 53.32 A ATOM 172 CG ASN 10 -7.026 -6.563 -9.758 1.00 71.33 A ATOM 173 OD1 ASN 10 -7.630 -6.241 -8.735 1.00 42.51 A ATOM 174 ND2 ASN 10 -7.198 -5.941 -10.919 1.00 11.24 A ATOM 175 HD21 ASN 10 -6.683 -6.252 -11.692 1.00 73.53 A ATOM 176 HD22 ASN 10 -7.832 -5.195 -10.954 1.00 14.34 A ATOM 177 C ASN 10 -5.231 -9.582 -8.294 1.00 41.23 A ATOM 178 O ASN 10 -6.074 -10.457 -8.483 1.00 73.13 A ATOM 179 N ASN 11 -3.952 -9.850 -8.049 1.00 53.34 A ATOM 180 HN ASN 11 -3.327 -9.109 -7.907 1.00 10.32 A ATOM 181 CA ASN 11 -3.457 -11.220 -7.988 1.00 2.01 A ATOM 182 HA ASN 11 -4.191 -11.859 -8.455 1.00 22.00 A ATOM 183 CB ASN 11 -2.135 -11.341 -8.749 1.00 72.03 A ATOM 184 HB1 ASN 11 -1.611 -12.222 -8.411 1.00 62.02 A ATOM 185 HB2 ASN 11 -1.531 -10.468 -8.550 1.00 24.12 A ATOM 186 CG ASN 11 -2.339 -11.449 -10.248 1.00 52.22 A ATOM 187 OD1 ASN 11 -3.411 -11.836 -10.714 1.00 13.43 A ATOM 188 ND2 ASN 11 -1.308 -11.106 -11.012 1.00 30.44 A ATOM 189 HD21 ASN 11 -0.485 -10.808 -10.571 1.00 42.55 A ATOM 190 HD22 ASN 11 -1.413 -11.166 -11.984 1.00 42.11 A ATOM 191 C ASN 11 -3.266 -11.665 -6.541 1.00 44.02 A ATOM 192 O ASN 11 -2.444 -11.108 -5.813 1.00 63.11 A ATOM 193 N ASP 12 -4.030 -12.672 -6.132 1.00 4.30 A ATOM 194 HN ASP 12 -4.666 -13.074 -6.759 1.00 72.44 A ATOM 195 CA ASP 12 -3.944 -13.193 -4.773 1.00 23.42 A ATOM 196 HA ASP 12 -4.228 -12.402 -4.095 1.00 72.55 A ATOM 197 CB ASP 12 -4.904 -14.370 -4.594 1.00 21.32 A ATOM 198 HB1 ASP 12 -5.062 -14.540 -3.539 1.00 70.20 A ATOM 199 HB2 ASP 12 -4.466 -15.254 -5.035 1.00 72.01 A ATOM 200 CG ASP 12 -6.249 -14.125 -5.248 1.00 53.40 A ATOM 201 OD1 ASP 12 -6.402 -14.470 -6.439 1.00 14.14 A ATOM 202 OD2 ASP 12 -7.149 -13.588 -4.569 1.00 53.33 A ATOM 203 C ASP 12 -2.519 -13.629 -4.447 1.00 64.42 A ATOM 204 O ASP 12 -2.127 -13.682 -3.282 1.00 0.01 A ATOM 205 N GLU 13 -1.749 -13.942 -5.485 1.00 61.01 A ATOM 206 HN GLU 13 -2.118 -13.880 -6.391 1.00 35.25 A ATOM 207 CA GLU 13 -0.368 -14.375 -5.308 1.00 21.50 A ATOM 208 HA GLU 13 -0.368 -15.215 -4.629 1.00 53.22 A ATOM 209 CB GLU 13 0.226 -14.819 -6.646 1.00 44.04 A ATOM 210 HB1 GLU 13 1.283 -14.998 -6.515 1.00 44.31 A ATOM 211 HB2 GLU 13 0.092 -14.026 -7.367 1.00 13.20 A ATOM 212 CG GLU 13 -0.405 -16.084 -7.204 1.00 13.43 A ATOM 213 HG1 GLU 13 -1.366 -15.833 -7.629 1.00 32.51 A ATOM 214 HG2 GLU 13 -0.542 -16.788 -6.397 1.00 15.11 A ATOM 215 CD GLU 13 0.445 -16.736 -8.276 1.00 74.35 A ATOM 216 OE1 GLU 13 1.632 -17.013 -8.007 1.00 31.22 A ATOM 217 OE2 GLU 13 -0.079 -16.970 -9.386 1.00 64.41 A ATOM 218 C GLU 13 0.480 -13.258 -4.708 1.00 23.03 A ATOM 219 O GLU 13 1.185 -13.461 -3.718 1.00 33.12 A ATOM 220 N LEU 14 0.408 -12.078 -5.314 1.00 22.13 A ATOM 221 HN LEU 14 -0.170 -11.977 -6.098 1.00 32.32 A ATOM 222 CA LEU 14 1.169 -10.927 -4.840 1.00 64.14 A ATOM 223 HA LEU 14 2.219 -11.156 -4.952 1.00 11.35 A ATOM 224 CB LEU 14 0.837 -9.691 -5.678 1.00 72.34 A ATOM 225 HB1 LEU 14 0.960 -8.822 -5.048 1.00 21.22 A ATOM 226 HB2 LEU 14 -0.195 -9.768 -5.985 1.00 11.43 A ATOM 227 CG LEU 14 1.684 -9.484 -6.934 1.00 70.34 A ATOM 228 HG LEU 14 1.377 -8.569 -7.422 1.00 35.05 A ATOM 229 CD1 LEU 14 3.154 -9.350 -6.570 1.00 64.24 A ATOM 230 HD11 LEU 14 3.244 -9.083 -5.528 1.00 63.14 A ATOM 231 HD12 LEU 14 3.607 -8.582 -7.179 1.00 44.15 A ATOM 232 HD13 LEU 14 3.656 -10.291 -6.746 1.00 51.34 A ATOM 233 CD2 LEU 14 1.477 -10.632 -7.912 1.00 42.33 A ATOM 234 HD21 LEU 14 2.172 -11.427 -7.685 1.00 74.11 A ATOM 235 HD22 LEU 14 1.649 -10.281 -8.920 1.00 33.21 A ATOM 236 HD23 LEU 14 0.466 -11.000 -7.826 1.00 21.51 A ATOM 237 C LEU 14 0.880 -10.651 -3.369 1.00 13.54 A ATOM 238 O LEU 14 1.732 -10.135 -2.645 1.00 13.54 A ATOM 239 N ILE 15 -0.326 -10.999 -2.933 1.00 12.13 A ATOM 240 HN ILE 15 -0.961 -11.406 -3.558 1.00 13.12 A ATOM 241 CA ILE 15 -0.726 -10.791 -1.547 1.00 33.14 A ATOM 242 HA ILE 15 -0.545 -9.755 -1.300 1.00 12.15 A ATOM 243 CB ILE 15 -2.225 -11.083 -1.343 1.00 62.15 A ATOM 244 HB ILE 15 -2.403 -12.119 -1.588 1.00 32.12 A ATOM 245 CG1 ILE 15 -3.068 -10.199 -2.264 1.00 74.34 A ATOM 246 HG11 ILE 15 -2.699 -10.291 -3.276 1.00 13.12 A ATOM 247 HG12 ILE 15 -2.982 -9.172 -1.946 1.00 63.43 A ATOM 248 CG2 ILE 15 -2.614 -10.866 0.111 1.00 13.30 A ATOM 249 HG21 ILE 15 -2.249 -11.688 0.708 1.00 5.23 A ATOM 250 HG22 ILE 15 -2.180 -9.943 0.466 1.00 64.24 A ATOM 251 HG23 ILE 15 -3.689 -10.812 0.192 1.00 35.20 A ATOM 252 CD1 ILE 15 -4.537 -10.561 -2.270 1.00 72.11 A ATOM 253 HD11 ILE 15 -4.876 -10.676 -3.289 1.00 71.11 A ATOM 254 HD12 ILE 15 -4.683 -11.487 -1.735 1.00 5.15 A ATOM 255 HD13 ILE 15 -5.103 -9.775 -1.790 1.00 71.33 A ATOM 256 C ILE 15 0.084 -11.672 -0.602 1.00 64.24 A ATOM 257 O ILE 15 0.862 -11.177 0.213 1.00 0.44 A ATOM 258 N LYS 16 -0.101 -12.983 -0.720 1.00 1.34 A ATOM 259 HN LYS 16 -0.735 -13.318 -1.389 1.00 4.31 A ATOM 260 CA LYS 16 0.615 -13.935 0.121 1.00 71.34 A ATOM 261 HA LYS 16 0.260 -13.817 1.133 1.00 34.11 A ATOM 262 CB LYS 16 0.334 -15.367 -0.342 1.00 51.32 A ATOM 263 HB1 LYS 16 -0.666 -15.641 -0.037 1.00 62.03 A ATOM 264 HB2 LYS 16 1.041 -16.031 0.133 1.00 73.13 A ATOM 265 CG LYS 16 0.441 -15.552 -1.846 1.00 2.20 A ATOM 266 HG1 LYS 16 1.423 -15.236 -2.169 1.00 50.12 A ATOM 267 HG2 LYS 16 -0.311 -14.946 -2.329 1.00 1.32 A ATOM 268 CD LYS 16 0.233 -17.003 -2.245 1.00 64.04 A ATOM 269 HD1 LYS 16 0.837 -17.633 -1.607 1.00 41.13 A ATOM 270 HD2 LYS 16 0.538 -17.132 -3.273 1.00 41.13 A ATOM 271 CE LYS 16 -1.225 -17.415 -2.110 1.00 64.04 A ATOM 272 HE1 LYS 16 -1.818 -16.819 -2.788 1.00 45.12 A ATOM 273 HE2 LYS 16 -1.544 -17.232 -1.096 1.00 55.52 A ATOM 274 NZ LYS 16 -1.426 -18.856 -2.429 1.00 44.30 A ATOM 275 HZ1 LYS 16 -2.086 -19.283 -1.749 1.00 13.04 A ATOM 276 HZ2 LYS 16 -0.519 -19.363 -2.379 1.00 50.43 A ATOM 277 HZ3 LYS 16 -1.816 -18.959 -3.387 1.00 53.11 A ATOM 278 C LYS 16 2.116 -13.666 0.092 1.00 50.14 A ATOM 279 O LYS 16 2.801 -13.798 1.106 1.00 11.11 A ATOM 280 N LYS 17 2.622 -13.286 -1.077 1.00 33.10 A ATOM 281 HN LYS 17 2.025 -13.199 -1.850 1.00 51.32 A ATOM 282 CA LYS 17 4.041 -12.995 -1.238 1.00 43.15 A ATOM 283 HA LYS 17 4.597 -13.863 -0.918 1.00 73.45 A ATOM 284 CB LYS 17 4.361 -12.713 -2.708 1.00 40.52 A ATOM 285 HB1 LYS 17 5.370 -12.331 -2.778 1.00 32.42 A ATOM 286 HB2 LYS 17 3.676 -11.963 -3.076 1.00 1.55 A ATOM 287 CG LYS 17 4.252 -13.937 -3.601 1.00 14.25 A ATOM 288 HG1 LYS 17 3.288 -14.400 -3.443 1.00 60.53 A ATOM 289 HG2 LYS 17 5.035 -14.633 -3.339 1.00 53.23 A ATOM 290 CD LYS 17 4.389 -13.571 -5.069 1.00 3.32 A ATOM 291 HD1 LYS 17 3.988 -12.579 -5.223 1.00 34.02 A ATOM 292 HD2 LYS 17 3.834 -14.282 -5.662 1.00 51.21 A ATOM 293 CE LYS 17 5.844 -13.590 -5.514 1.00 14.30 A ATOM 294 HE1 LYS 17 6.422 -12.982 -4.834 1.00 42.33 A ATOM 295 HE2 LYS 17 5.907 -13.177 -6.509 1.00 3.10 A ATOM 296 NZ LYS 17 6.402 -14.970 -5.525 1.00 62.11 A ATOM 297 HZ1 LYS 17 5.631 -15.667 -5.560 1.00 71.04 A ATOM 298 HZ2 LYS 17 6.964 -15.135 -4.666 1.00 31.23 A ATOM 299 HZ3 LYS 17 7.013 -15.102 -6.356 1.00 71.13 A ATOM 300 C LYS 17 4.453 -11.804 -0.380 1.00 4.43 A ATOM 301 O LYS 17 5.274 -11.936 0.529 1.00 62.03 A ATOM 302 N ILE 18 3.878 -10.642 -0.672 1.00 61.10 A ATOM 303 HN ILE 18 3.232 -10.600 -1.407 1.00 60.32 A ATOM 304 CA ILE 18 4.184 -9.429 0.076 1.00 44.14 A ATOM 305 HA ILE 18 5.235 -9.214 -0.054 1.00 64.13 A ATOM 306 CB ILE 18 3.376 -8.227 -0.446 1.00 52.34 A ATOM 307 HB ILE 18 2.326 -8.466 -0.369 1.00 23.13 A ATOM 308 CG1 ILE 18 3.719 -7.951 -1.912 1.00 11.02 A ATOM 309 HG11 ILE 18 3.640 -8.872 -2.471 1.00 43.04 A ATOM 310 HG12 ILE 18 4.730 -7.582 -1.975 1.00 65.20 A ATOM 311 CG2 ILE 18 3.645 -6.996 0.407 1.00 64.31 A ATOM 312 HG21 ILE 18 3.166 -6.137 -0.039 1.00 31.22 A ATOM 313 HG22 ILE 18 3.250 -7.153 1.399 1.00 21.42 A ATOM 314 HG23 ILE 18 4.710 -6.825 0.466 1.00 55.44 A ATOM 315 CD1 ILE 18 2.811 -6.931 -2.563 1.00 64.24 A ATOM 316 HD11 ILE 18 2.525 -7.279 -3.545 1.00 15.02 A ATOM 317 HD12 ILE 18 1.929 -6.794 -1.957 1.00 2.22 A ATOM 318 HD13 ILE 18 3.335 -5.990 -2.655 1.00 60.21 A ATOM 319 C ILE 18 3.899 -9.612 1.562 1.00 33.52 A ATOM 320 O ILE 18 4.582 -9.041 2.413 1.00 60.55 A ATOM 321 N LYS 19 2.885 -10.415 1.870 1.00 41.34 A ATOM 322 HN LYS 19 2.378 -10.841 1.147 1.00 35.52 A ATOM 323 CA LYS 19 2.509 -10.678 3.254 1.00 44.43 A ATOM 324 HA LYS 19 2.104 -9.766 3.666 1.00 34.42 A ATOM 325 CB LYS 19 1.441 -11.771 3.315 1.00 73.44 A ATOM 326 HB1 LYS 19 1.559 -12.323 4.236 1.00 2.45 A ATOM 327 HB2 LYS 19 1.584 -12.444 2.482 1.00 33.51 A ATOM 328 CG LYS 19 0.020 -11.237 3.258 1.00 71.41 A ATOM 329 HG1 LYS 19 -0.243 -11.050 2.227 1.00 54.54 A ATOM 330 HG2 LYS 19 -0.031 -10.315 3.818 1.00 73.51 A ATOM 331 CD LYS 19 -0.971 -12.226 3.848 1.00 34.31 A ATOM 332 HD1 LYS 19 -0.811 -12.290 4.915 1.00 14.42 A ATOM 333 HD2 LYS 19 -0.810 -13.196 3.400 1.00 0.42 A ATOM 334 CE LYS 19 -2.408 -11.798 3.588 1.00 64.42 A ATOM 335 HE1 LYS 19 -2.719 -12.193 2.632 1.00 51.01 A ATOM 336 HE2 LYS 19 -2.449 -10.720 3.563 1.00 72.34 A ATOM 337 NZ LYS 19 -3.334 -12.295 4.643 1.00 51.14 A ATOM 338 HZ1 LYS 19 -4.272 -11.861 4.526 1.00 35.43 A ATOM 339 HZ2 LYS 19 -2.967 -12.051 5.584 1.00 22.13 A ATOM 340 HZ3 LYS 19 -3.431 -13.328 4.576 1.00 25.14 A ATOM 341 C LYS 19 3.724 -11.092 4.078 1.00 70.52 A ATOM 342 O LYS 19 3.848 -10.727 5.247 1.00 21.41 A ATOM 343 N LYS 20 4.619 -11.856 3.461 1.00 61.32 A ATOM 344 HN LYS 20 4.464 -12.115 2.527 1.00 5.45 A ATOM 345 CA LYS 20 5.826 -12.319 4.136 1.00 40.14 A ATOM 346 HA LYS 20 5.565 -12.556 5.156 1.00 45.11 A ATOM 347 CB LYS 20 6.366 -13.578 3.454 1.00 74.25 A ATOM 348 HB1 LYS 20 7.122 -14.020 4.086 1.00 11.35 A ATOM 349 HB2 LYS 20 6.815 -13.299 2.512 1.00 51.30 A ATOM 350 CG LYS 20 5.301 -14.626 3.182 1.00 75.44 A ATOM 351 HG1 LYS 20 5.753 -15.461 2.665 1.00 43.32 A ATOM 352 HG2 LYS 20 4.530 -14.192 2.562 1.00 45.15 A ATOM 353 CD LYS 20 4.669 -15.127 4.470 1.00 64.42 A ATOM 354 HD1 LYS 20 3.832 -14.491 4.721 1.00 24.45 A ATOM 355 HD2 LYS 20 5.404 -15.087 5.260 1.00 23.40 A ATOM 356 CE LYS 20 4.177 -16.560 4.329 1.00 4.30 A ATOM 357 HE1 LYS 20 5.003 -17.230 4.516 1.00 23.01 A ATOM 358 HE2 LYS 20 3.817 -16.705 3.322 1.00 31.44 A ATOM 359 NZ LYS 20 3.079 -16.865 5.287 1.00 75.35 A ATOM 360 HZ1 LYS 20 2.364 -17.467 4.829 1.00 14.22 A ATOM 361 HZ2 LYS 20 2.624 -15.985 5.601 1.00 11.24 A ATOM 362 HZ3 LYS 20 3.456 -17.364 6.117 1.00 62.31 A ATOM 363 C LYS 20 6.897 -11.233 4.141 1.00 53.50 A ATOM 364 O LYS 20 7.494 -10.943 5.177 1.00 14.32 A ATOM 365 N GLU 21 7.133 -10.635 2.977 1.00 11.23 A ATOM 366 HN GLU 21 6.624 -10.910 2.186 1.00 3.12 A ATOM 367 CA GLU 21 8.132 -9.580 2.850 1.00 55.20 A ATOM 368 HA GLU 21 9.099 -10.012 3.057 1.00 33.03 A ATOM 369 CB GLU 21 8.133 -9.018 1.427 1.00 42.31 A ATOM 370 HB1 GLU 21 8.827 -8.191 1.381 1.00 61.35 A ATOM 371 HB2 GLU 21 7.142 -8.657 1.194 1.00 42.01 A ATOM 372 CG GLU 21 8.532 -10.035 0.371 1.00 4.11 A ATOM 373 HG1 GLU 21 8.371 -9.603 -0.606 1.00 22.03 A ATOM 374 HG2 GLU 21 7.913 -10.912 0.482 1.00 33.11 A ATOM 375 CD GLU 21 9.986 -10.452 0.483 1.00 71.10 A ATOM 376 OE1 GLU 21 10.324 -11.173 1.444 1.00 24.43 A ATOM 377 OE2 GLU 21 10.785 -10.057 -0.392 1.00 11.01 A ATOM 378 C GLU 21 7.869 -8.459 3.851 1.00 1.52 A ATOM 379 O GLU 21 8.799 -7.815 4.337 1.00 1.41 A ATOM 380 N VAL 22 6.595 -8.230 4.155 1.00 62.42 A ATOM 381 HN VAL 22 5.899 -8.777 3.735 1.00 54.21 A ATOM 382 CA VAL 22 6.209 -7.188 5.098 1.00 0.20 A ATOM 383 HA VAL 22 7.040 -6.505 5.200 1.00 23.44 A ATOM 384 CB VAL 22 4.991 -6.393 4.589 1.00 25.51 A ATOM 385 HB VAL 22 4.805 -5.581 5.275 1.00 0.44 A ATOM 386 CG1 VAL 22 5.275 -5.802 3.217 1.00 43.12 A ATOM 387 HG11 VAL 22 5.894 -4.923 3.325 1.00 13.11 A ATOM 388 HG12 VAL 22 5.789 -6.532 2.609 1.00 74.33 A ATOM 389 HG13 VAL 22 4.344 -5.529 2.743 1.00 34.30 A ATOM 390 CG2 VAL 22 3.756 -7.280 4.552 1.00 54.34 A ATOM 391 HG21 VAL 22 3.347 -7.284 3.552 1.00 23.40 A ATOM 392 HG22 VAL 22 4.025 -8.287 4.835 1.00 44.12 A ATOM 393 HG23 VAL 22 3.017 -6.898 5.241 1.00 63.11 A ATOM 394 C VAL 22 5.882 -7.777 6.465 1.00 30.53 A ATOM 395 O VAL 22 5.043 -7.250 7.195 1.00 45.51 A ATOM 396 N GLU 23 6.550 -8.875 6.806 1.00 64.03 A ATOM 397 HN GLU 23 7.207 -9.249 6.181 1.00 15.41 A ATOM 398 CA GLU 23 6.330 -9.537 8.086 1.00 11.43 A ATOM 399 HA GLU 23 5.500 -9.048 8.574 1.00 40.43 A ATOM 400 CB GLU 23 5.981 -11.011 7.871 1.00 51.34 A ATOM 401 HB1 GLU 23 6.857 -11.525 7.503 1.00 13.02 A ATOM 402 HB2 GLU 23 5.198 -11.078 7.130 1.00 70.23 A ATOM 403 CG GLU 23 5.508 -11.715 9.131 1.00 23.12 A ATOM 404 HG1 GLU 23 6.082 -11.348 9.970 1.00 72.32 A ATOM 405 HG2 GLU 23 5.675 -12.776 9.020 1.00 51.05 A ATOM 406 CD GLU 23 4.036 -11.483 9.412 1.00 23.40 A ATOM 407 OE1 GLU 23 3.206 -11.834 8.548 1.00 72.43 A ATOM 408 OE2 GLU 23 3.715 -10.951 10.495 1.00 72.41 A ATOM 409 C GLU 23 7.562 -9.420 8.979 1.00 43.35 A ATOM 410 O GLU 23 7.460 -9.067 10.153 1.00 43.14 A ATOM 411 N ASN 24 8.727 -9.719 8.412 1.00 75.24 A ATOM 412 HN ASN 24 8.744 -9.994 7.471 1.00 31.32 A ATOM 413 CA ASN 24 9.979 -9.649 9.155 1.00 22.12 A ATOM 414 HA ASN 24 9.808 -10.071 10.134 1.00 74.32 A ATOM 415 CB ASN 24 11.064 -10.462 8.446 1.00 72.34 A ATOM 416 HB1 ASN 24 12.032 -10.056 8.696 1.00 22.11 A ATOM 417 HB2 ASN 24 10.915 -10.395 7.378 1.00 73.13 A ATOM 418 CG ASN 24 11.040 -11.926 8.840 1.00 30.34 A ATOM 419 OD1 ASN 24 10.927 -12.261 10.020 1.00 42.03 A ATOM 420 ND2 ASN 24 11.147 -12.807 7.852 1.00 33.13 A ATOM 421 HD21 ASN 24 11.234 -12.468 6.937 1.00 74.13 A ATOM 422 HD22 ASN 24 11.134 -13.760 8.079 1.00 35.42 A ATOM 423 C ASN 24 10.436 -8.202 9.316 1.00 21.41 A ATOM 424 O ASN 24 11.320 -7.907 10.119 1.00 1.34 A ATOM 425 N GLN 25 9.827 -7.306 8.547 1.00 74.11 A ATOM 426 HN GLN 25 9.130 -7.604 7.926 1.00 12.33 A ATOM 427 CA GLN 25 10.171 -5.890 8.604 1.00 20.44 A ATOM 428 HA GLN 25 11.227 -5.815 8.817 1.00 14.32 A ATOM 429 CB GLN 25 9.886 -5.219 7.260 1.00 73.43 A ATOM 430 HB1 GLN 25 10.209 -4.190 7.309 1.00 61.12 A ATOM 431 HB2 GLN 25 8.822 -5.246 7.076 1.00 0.22 A ATOM 432 CG GLN 25 10.589 -5.884 6.087 1.00 52.31 A ATOM 433 HG1 GLN 25 10.063 -5.631 5.178 1.00 15.54 A ATOM 434 HG2 GLN 25 10.565 -6.954 6.229 1.00 63.02 A ATOM 435 CD GLN 25 12.034 -5.446 5.949 1.00 73.21 A ATOM 436 OE1 GLN 25 12.381 -4.688 5.042 1.00 20.55 A ATOM 437 NE2 GLN 25 12.885 -5.922 6.850 1.00 63.02 A ATOM 438 HE21 GLN 25 12.538 -6.522 7.543 1.00 35.10 A ATOM 439 HE22 GLN 25 13.825 -5.656 6.784 1.00 63.32 A ATOM 440 C GLN 25 9.395 -5.186 9.712 1.00 2.04 A ATOM 441 O GLN 25 9.506 -3.973 9.888 1.00 65.44 A ATOM 442 N GLY 26 8.608 -5.955 10.458 1.00 30.34 A ATOM 443 HN GLY 26 8.559 -6.917 10.273 1.00 52.52 A ATOM 444 CA GLY 26 7.825 -5.387 11.540 1.00 74.21 A ATOM 445 HA1 GLY 26 8.457 -4.732 12.121 1.00 13.12 A ATOM 446 HA2 GLY 26 7.473 -6.187 12.174 1.00 70.20 A ATOM 447 C GLY 26 6.632 -4.597 11.039 1.00 73.42 A ATOM 448 O GLY 26 6.483 -3.417 11.355 1.00 13.12 A ATOM 449 N TYR 27 5.781 -5.249 10.254 1.00 53.31 A ATOM 450 HN TYR 27 5.953 -6.189 10.037 1.00 2.32 A ATOM 451 CA TYR 27 4.597 -4.599 9.704 1.00 11.54 A ATOM 452 HA TYR 27 4.402 -3.713 10.291 1.00 3.15 A ATOM 453 CB TYR 27 4.843 -4.186 8.252 1.00 24.51 A ATOM 454 HB1 TYR 27 3.893 -4.047 7.758 1.00 32.34 A ATOM 455 HB2 TYR 27 5.392 -4.969 7.751 1.00 3.13 A ATOM 456 CG TYR 27 5.632 -2.904 8.112 1.00 21.11 A ATOM 457 CD1 TYR 27 5.028 -1.741 7.651 1.00 4.33 A ATOM 458 HD1 TYR 27 3.980 -1.762 7.391 1.00 11.52 A ATOM 459 CD2 TYR 27 6.981 -2.856 8.442 1.00 41.23 A ATOM 460 HD2 TYR 27 7.466 -3.752 8.803 1.00 53.55 A ATOM 461 CE1 TYR 27 5.745 -0.567 7.521 1.00 25.21 A ATOM 462 HE1 TYR 27 5.258 0.327 7.161 1.00 64.24 A ATOM 463 CE2 TYR 27 7.706 -1.686 8.316 1.00 33.30 A ATOM 464 HE2 TYR 27 8.754 -1.668 8.577 1.00 33.30 A ATOM 465 CZ TYR 27 7.084 -0.545 7.855 1.00 54.11 A ATOM 466 OH TYR 27 7.801 0.623 7.728 1.00 70.50 A ATOM 467 HH TYR 27 7.266 1.279 7.275 1.00 23.20 A ATOM 468 C TYR 27 3.383 -5.519 9.785 1.00 60.14 A ATOM 469 O TYR 27 3.406 -6.639 9.276 1.00 63.41 A ATOM 470 N GLN 28 2.324 -5.037 10.427 1.00 41.32 A ATOM 471 HN GLN 28 2.367 -4.137 10.811 1.00 50.33 A ATOM 472 CA GLN 28 1.100 -5.816 10.574 1.00 3.31 A ATOM 473 HA GLN 28 1.364 -6.767 11.010 1.00 71.41 A ATOM 474 CB GLN 28 0.122 -5.097 11.505 1.00 50.34 A ATOM 475 HB1 GLN 28 -0.886 -5.367 11.226 1.00 41.12 A ATOM 476 HB2 GLN 28 0.247 -4.031 11.385 1.00 53.03 A ATOM 477 CG GLN 28 0.317 -5.438 12.973 1.00 0.42 A ATOM 478 HG1 GLN 28 -0.170 -4.683 13.572 1.00 13.42 A ATOM 479 HG2 GLN 28 1.375 -5.441 13.191 1.00 33.44 A ATOM 480 CD GLN 28 -0.257 -6.792 13.339 1.00 23.30 A ATOM 481 OE1 GLN 28 -0.789 -7.504 12.487 1.00 32.42 A ATOM 482 NE2 GLN 28 -0.151 -7.156 14.612 1.00 62.23 A ATOM 483 HE21 GLN 28 0.285 -6.537 15.235 1.00 72.11 A ATOM 484 HE22 GLN 28 -0.514 -8.026 14.876 1.00 23.31 A ATOM 485 C GLN 28 0.445 -6.061 9.219 1.00 12.11 A ATOM 486 O GLN 28 0.761 -5.393 8.235 1.00 42.23 A ATOM 487 N VAL 29 -0.470 -7.024 9.176 1.00 74.04 A ATOM 488 HN VAL 29 -0.680 -7.522 9.993 1.00 3.34 A ATOM 489 CA VAL 29 -1.171 -7.357 7.941 1.00 34.34 A ATOM 490 HA VAL 29 -0.899 -6.626 7.194 1.00 3.15 A ATOM 491 CB VAL 29 -0.766 -8.750 7.424 1.00 32.44 A ATOM 492 HB VAL 29 -1.094 -9.488 8.142 1.00 0.12 A ATOM 493 CG1 VAL 29 -1.445 -9.045 6.096 1.00 71.44 A ATOM 494 HG11 VAL 29 -2.115 -8.235 5.847 1.00 71.45 A ATOM 495 HG12 VAL 29 -0.697 -9.146 5.323 1.00 1.11 A ATOM 496 HG13 VAL 29 -2.007 -9.964 6.175 1.00 61.51 A ATOM 497 CG2 VAL 29 0.746 -8.851 7.294 1.00 41.44 A ATOM 498 HG21 VAL 29 0.994 -9.358 6.373 1.00 22.25 A ATOM 499 HG22 VAL 29 1.174 -7.858 7.284 1.00 74.34 A ATOM 500 HG23 VAL 29 1.144 -9.405 8.130 1.00 23.11 A ATOM 501 C VAL 29 -2.682 -7.321 8.141 1.00 55.04 A ATOM 502 O VAL 29 -3.267 -8.247 8.704 1.00 40.51 A ATOM 503 N ARG 30 -3.310 -6.246 7.674 1.00 24.02 A ATOM 504 HN ARG 30 -2.789 -5.542 7.235 1.00 41.44 A ATOM 505 CA ARG 30 -4.753 -6.088 7.802 1.00 73.43 A ATOM 506 HA ARG 30 -5.099 -6.788 8.548 1.00 1.32 A ATOM 507 CB ARG 30 -5.095 -4.668 8.255 1.00 44.30 A ATOM 508 HB1 ARG 30 -6.163 -4.594 8.395 1.00 65.43 A ATOM 509 HB2 ARG 30 -4.792 -3.974 7.485 1.00 41.25 A ATOM 510 CG ARG 30 -4.415 -4.263 9.553 1.00 14.10 A ATOM 511 HG1 ARG 30 -4.670 -3.238 9.777 1.00 13.21 A ATOM 512 HG2 ARG 30 -3.346 -4.352 9.432 1.00 42.11 A ATOM 513 CD ARG 30 -4.854 -5.147 10.710 1.00 2.53 A ATOM 514 HD1 ARG 30 -4.706 -6.179 10.433 1.00 74.54 A ATOM 515 HD2 ARG 30 -5.902 -4.972 10.902 1.00 2.35 A ATOM 516 NE ARG 30 -4.096 -4.870 11.928 1.00 53.41 A ATOM 517 HE ARG 30 -3.267 -4.356 11.840 1.00 50.25 A ATOM 518 CZ ARG 30 -4.472 -5.275 13.136 1.00 74.14 A ATOM 519 NH1 ARG 30 -5.590 -5.972 13.286 1.00 31.32 A ATOM 520 HH11 ARG 30 -6.151 -6.194 12.489 1.00 32.10 A ATOM 521 HH12 ARG 30 -5.870 -6.278 14.197 1.00 54.54 A ATOM 522 NH2 ARG 30 -3.730 -4.984 14.196 1.00 44.22 A ATOM 523 HH21 ARG 30 -2.886 -4.459 14.086 1.00 13.31 A ATOM 524 HH22 ARG 30 -4.013 -5.289 15.104 1.00 35.31 A ATOM 525 C ARG 30 -5.452 -6.394 6.480 1.00 13.12 A ATOM 526 O ARG 30 -5.240 -5.707 5.481 1.00 61.12 A ATOM 527 N ASP 31 -6.286 -7.428 6.483 1.00 22.32 A ATOM 528 HN ASP 31 -6.413 -7.937 7.311 1.00 32.14 A ATOM 529 CA ASP 31 -7.017 -7.825 5.285 1.00 3.22 A ATOM 530 HA ASP 31 -6.386 -7.628 4.432 1.00 40.15 A ATOM 531 CB ASP 31 -7.340 -9.319 5.330 1.00 24.11 A ATOM 532 HB1 ASP 31 -6.419 -9.877 5.418 1.00 32.24 A ATOM 533 HB2 ASP 31 -7.840 -9.600 4.415 1.00 71.41 A ATOM 534 CG ASP 31 -8.236 -9.683 6.497 1.00 11.13 A ATOM 535 OD1 ASP 31 -7.857 -9.390 7.651 1.00 60.11 A ATOM 536 OD2 ASP 31 -9.317 -10.260 6.257 1.00 12.43 A ATOM 537 C ASP 31 -8.303 -7.018 5.142 1.00 52.25 A ATOM 538 O ASP 31 -9.145 -7.007 6.040 1.00 73.15 A ATOM 539 N VAL 32 -8.448 -6.342 4.006 1.00 12.22 A ATOM 540 HN VAL 32 -7.742 -6.390 3.328 1.00 14.30 A ATOM 541 CA VAL 32 -9.632 -5.532 3.745 1.00 42.44 A ATOM 542 HA VAL 32 -10.419 -5.868 4.403 1.00 32.33 A ATOM 543 CB VAL 32 -9.366 -4.042 4.030 1.00 15.44 A ATOM 544 HB VAL 32 -8.644 -3.681 3.313 1.00 74.14 A ATOM 545 CG1 VAL 32 -10.643 -3.231 3.869 1.00 74.03 A ATOM 546 HG11 VAL 32 -11.451 -3.725 4.388 1.00 32.14 A ATOM 547 HG12 VAL 32 -10.498 -2.244 4.282 1.00 53.42 A ATOM 548 HG13 VAL 32 -10.888 -3.150 2.820 1.00 62.44 A ATOM 549 CG2 VAL 32 -8.784 -3.862 5.424 1.00 35.44 A ATOM 550 HG21 VAL 32 -9.462 -4.282 6.153 1.00 22.11 A ATOM 551 HG22 VAL 32 -7.832 -4.369 5.485 1.00 2.42 A ATOM 552 HG23 VAL 32 -8.646 -2.810 5.625 1.00 61.43 A ATOM 553 C VAL 32 -10.095 -5.686 2.300 1.00 33.14 A ATOM 554 O VAL 32 -9.368 -5.354 1.366 1.00 63.44 A ATOM 555 N ASN 33 -11.312 -6.192 2.126 1.00 1.11 A ATOM 556 HN ASN 33 -11.845 -6.438 2.911 1.00 42.30 A ATOM 557 CA ASN 33 -11.873 -6.391 0.795 1.00 55.31 A ATOM 558 HA ASN 33 -11.279 -5.822 0.096 1.00 11.42 A ATOM 559 CB ASN 33 -11.814 -7.870 0.409 1.00 21.23 A ATOM 560 HB1 ASN 33 -12.522 -8.059 -0.384 1.00 10.45 A ATOM 561 HB2 ASN 33 -12.074 -8.471 1.269 1.00 4.30 A ATOM 562 CG ASN 33 -10.436 -8.288 -0.067 1.00 73.44 A ATOM 563 OD1 ASN 33 -10.166 -8.321 -1.268 1.00 50.30 A ATOM 564 ND2 ASN 33 -9.557 -8.611 0.874 1.00 35.53 A ATOM 565 HD21 ASN 33 -9.843 -8.563 1.811 1.00 42.33 A ATOM 566 HD22 ASN 33 -8.659 -8.885 0.594 1.00 11.11 A ATOM 567 C ASN 33 -13.315 -5.895 0.733 1.00 31.21 A ATOM 568 O ASN 33 -14.035 -6.168 -0.228 1.00 13.54 A ATOM 569 N ASP 34 -13.729 -5.166 1.764 1.00 61.24 A ATOM 570 HN ASP 34 -13.108 -4.983 2.500 1.00 62.24 A ATOM 571 CA ASP 34 -15.084 -4.631 1.826 1.00 1.33 A ATOM 572 HA ASP 34 -15.419 -4.457 0.815 1.00 71.20 A ATOM 573 CB ASP 34 -16.022 -5.637 2.495 1.00 12.41 A ATOM 574 HB1 ASP 34 -16.000 -5.484 3.564 1.00 23.31 A ATOM 575 HB2 ASP 34 -15.685 -6.638 2.271 1.00 62.11 A ATOM 576 CG ASP 34 -17.455 -5.496 2.020 1.00 60.43 A ATOM 577 OD1 ASP 34 -17.996 -4.373 2.091 1.00 31.42 A ATOM 578 OD2 ASP 34 -18.035 -6.510 1.577 1.00 54.11 A ATOM 579 C ASP 34 -15.111 -3.308 2.586 1.00 21.21 A ATOM 580 O ASP 34 -14.323 -3.094 3.507 1.00 45.42 A ATOM 581 N SER 35 -16.023 -2.424 2.193 1.00 24.32 A ATOM 582 HN SER 35 -16.623 -2.654 1.453 1.00 63.01 A ATOM 583 CA SER 35 -16.149 -1.120 2.834 1.00 71.52 A ATOM 584 HA SER 35 -15.254 -0.557 2.618 1.00 4.10 A ATOM 585 CB SER 35 -17.358 -0.369 2.274 1.00 41.54 A ATOM 586 HB1 SER 35 -17.073 0.138 1.363 1.00 63.13 A ATOM 587 HB2 SER 35 -17.695 0.357 2.998 1.00 22.12 A ATOM 588 OG SER 35 -18.424 -1.257 1.988 1.00 62.53 A ATOM 589 HG SER 35 -18.982 -0.879 1.305 1.00 15.20 A ATOM 590 C SER 35 -16.284 -1.269 4.346 1.00 35.12 A ATOM 591 O SER 35 -15.621 -0.569 5.112 1.00 70.43 A ATOM 592 N ASP 36 -17.149 -2.185 4.769 1.00 24.20 A ATOM 593 HN ASP 36 -17.648 -2.712 4.110 1.00 40.42 A ATOM 594 CA ASP 36 -17.372 -2.428 6.190 1.00 43.24 A ATOM 595 HA ASP 36 -17.822 -1.542 6.611 1.00 51.33 A ATOM 596 CB ASP 36 -18.323 -3.609 6.384 1.00 75.22 A ATOM 597 HB1 ASP 36 -18.173 -4.026 7.369 1.00 51.03 A ATOM 598 HB2 ASP 36 -18.107 -4.363 5.641 1.00 20.51 A ATOM 599 CG ASP 36 -19.779 -3.208 6.249 1.00 72.14 A ATOM 600 OD1 ASP 36 -20.101 -2.035 6.533 1.00 63.03 A ATOM 601 OD2 ASP 36 -20.597 -4.067 5.858 1.00 40.11 A ATOM 602 C ASP 36 -16.053 -2.697 6.908 1.00 34.24 A ATOM 603 O ASP 36 -15.901 -2.374 8.086 1.00 42.12 A ATOM 604 N GLU 37 -15.105 -3.292 6.192 1.00 60.04 A ATOM 605 HN GLU 37 -15.287 -3.525 5.257 1.00 21.34 A ATOM 606 CA GLU 37 -13.801 -3.606 6.763 1.00 64.43 A ATOM 607 HA GLU 37 -13.948 -3.877 7.797 1.00 31.21 A ATOM 608 CB GLU 37 -13.167 -4.788 6.025 1.00 35.00 A ATOM 609 HB1 GLU 37 -12.102 -4.779 6.204 1.00 54.01 A ATOM 610 HB2 GLU 37 -13.346 -4.673 4.966 1.00 32.50 A ATOM 611 CG GLU 37 -13.712 -6.139 6.459 1.00 52.45 A ATOM 612 HG1 GLU 37 -13.606 -6.835 5.640 1.00 65.11 A ATOM 613 HG2 GLU 37 -14.758 -6.029 6.702 1.00 32.34 A ATOM 614 CD GLU 37 -12.989 -6.698 7.668 1.00 33.15 A ATOM 615 OE1 GLU 37 -11.770 -6.459 7.793 1.00 1.44 A ATOM 616 OE2 GLU 37 -13.642 -7.375 8.490 1.00 72.12 A ATOM 617 C GLU 37 -12.873 -2.397 6.699 1.00 42.53 A ATOM 618 O GLU 37 -12.130 -2.118 7.641 1.00 34.55 A ATOM 619 N LEU 38 -12.920 -1.681 5.580 1.00 11.15 A ATOM 620 HN LEU 38 -13.531 -1.952 4.864 1.00 13.45 A ATOM 621 CA LEU 38 -12.084 -0.501 5.392 1.00 41.54 A ATOM 622 HA LEU 38 -11.056 -0.795 5.542 1.00 60.45 A ATOM 623 CB LEU 38 -12.245 0.041 3.970 1.00 31.20 A ATOM 624 HB1 LEU 38 -13.261 -0.154 3.656 1.00 1.43 A ATOM 625 HB2 LEU 38 -11.564 -0.500 3.331 1.00 3.33 A ATOM 626 CG LEU 38 -11.974 1.534 3.786 1.00 53.42 A ATOM 627 HG LEU 38 -11.241 1.853 4.514 1.00 15.52 A ATOM 628 CD1 LEU 38 -11.408 1.807 2.401 1.00 12.40 A ATOM 629 HD11 LEU 38 -12.155 2.302 1.798 1.00 23.40 A ATOM 630 HD12 LEU 38 -11.130 0.874 1.936 1.00 63.45 A ATOM 631 HD13 LEU 38 -10.537 2.440 2.487 1.00 41.32 A ATOM 632 CD2 LEU 38 -13.246 2.339 4.012 1.00 30.23 A ATOM 633 HD21 LEU 38 -13.379 3.038 3.200 1.00 63.23 A ATOM 634 HD22 LEU 38 -13.168 2.881 4.944 1.00 70.32 A ATOM 635 HD23 LEU 38 -14.093 1.670 4.054 1.00 65.21 A ATOM 636 C LEU 38 -12.437 0.584 6.404 1.00 4.41 A ATOM 637 O LEU 38 -11.555 1.239 6.961 1.00 15.33 A ATOM 638 N LYS 39 -13.731 0.768 6.640 1.00 53.24 A ATOM 639 HN LYS 39 -14.387 0.215 6.164 1.00 23.22 A ATOM 640 CA LYS 39 -14.202 1.771 7.588 1.00 73.23 A ATOM 641 HA LYS 39 -13.662 2.686 7.399 1.00 61.14 A ATOM 642 CB LYS 39 -15.698 2.026 7.391 1.00 74.32 A ATOM 643 HB1 LYS 39 -16.013 2.798 8.078 1.00 33.54 A ATOM 644 HB2 LYS 39 -16.238 1.117 7.612 1.00 74.23 A ATOM 645 CG LYS 39 -16.060 2.466 5.983 1.00 73.53 A ATOM 646 HG1 LYS 39 -15.706 1.723 5.281 1.00 1.44 A ATOM 647 HG2 LYS 39 -15.585 3.413 5.778 1.00 44.14 A ATOM 648 CD LYS 39 -17.562 2.624 5.817 1.00 74.13 A ATOM 649 HD1 LYS 39 -18.062 1.853 6.387 1.00 40.23 A ATOM 650 HD2 LYS 39 -17.813 2.521 4.772 1.00 74.44 A ATOM 651 CE LYS 39 -18.036 3.985 6.303 1.00 35.23 A ATOM 652 HE1 LYS 39 -17.626 4.164 7.286 1.00 33.33 A ATOM 653 HE2 LYS 39 -19.114 3.977 6.359 1.00 12.13 A ATOM 654 NZ LYS 39 -17.606 5.081 5.391 1.00 32.45 A ATOM 655 HZ1 LYS 39 -17.295 4.686 4.481 1.00 60.21 A ATOM 656 HZ2 LYS 39 -16.817 5.609 5.815 1.00 21.30 A ATOM 657 HZ3 LYS 39 -18.396 5.735 5.222 1.00 40.44 A ATOM 658 C LYS 39 -13.936 1.330 9.023 1.00 23.23 A ATOM 659 O LYS 39 -13.686 2.156 9.901 1.00 23.24 A ATOM 660 N LYS 40 -13.989 0.023 9.255 1.00 31.44 A ATOM 661 HN LYS 40 -14.193 -0.586 8.514 1.00 31.33 A ATOM 662 CA LYS 40 -13.751 -0.530 10.584 1.00 43.53 A ATOM 663 HA LYS 40 -14.294 0.073 11.296 1.00 73.43 A ATOM 664 CB LYS 40 -14.260 -1.971 10.658 1.00 3.23 A ATOM 665 HB1 LYS 40 -13.647 -2.520 11.358 1.00 30.45 A ATOM 666 HB2 LYS 40 -14.169 -2.423 9.682 1.00 63.13 A ATOM 667 CG LYS 40 -15.708 -2.082 11.103 1.00 62.23 A ATOM 668 HG1 LYS 40 -16.135 -2.982 10.684 1.00 71.31 A ATOM 669 HG2 LYS 40 -16.253 -1.222 10.743 1.00 3.00 A ATOM 670 CD LYS 40 -15.824 -2.139 12.617 1.00 63.13 A ATOM 671 HD1 LYS 40 -15.800 -1.132 13.009 1.00 70.10 A ATOM 672 HD2 LYS 40 -14.990 -2.701 13.012 1.00 15.22 A ATOM 673 CE LYS 40 -17.118 -2.809 13.052 1.00 70.01 A ATOM 674 HE1 LYS 40 -16.969 -3.253 14.025 1.00 3.42 A ATOM 675 HE2 LYS 40 -17.366 -3.581 12.339 1.00 0.43 A ATOM 676 NZ LYS 40 -18.246 -1.840 13.129 1.00 42.42 A ATOM 677 HZ1 LYS 40 -17.896 -0.909 13.436 1.00 74.20 A ATOM 678 HZ2 LYS 40 -18.957 -2.172 13.810 1.00 30.25 A ATOM 679 HZ3 LYS 40 -18.695 -1.739 12.196 1.00 0.14 A ATOM 680 C LYS 40 -12.267 -0.485 10.933 1.00 4.32 A ATOM 681 O LYS 40 -11.899 -0.347 12.099 1.00 22.14 A ATOM 682 N GLU 41 -11.420 -0.600 9.915 1.00 24.21 A ATOM 683 HN GLU 41 -11.774 -0.707 9.008 1.00 61.52 A ATOM 684 CA GLU 41 -9.976 -0.572 10.117 1.00 43.04 A ATOM 685 HA GLU 41 -9.741 -1.244 10.928 1.00 1.45 A ATOM 686 CB GLU 41 -9.253 -1.047 8.854 1.00 2.53 A ATOM 687 HB1 GLU 41 -8.293 -0.555 8.798 1.00 24.32 A ATOM 688 HB2 GLU 41 -9.840 -0.768 7.992 1.00 61.35 A ATOM 689 CG GLU 41 -9.023 -2.548 8.812 1.00 13.04 A ATOM 690 HG1 GLU 41 -8.620 -2.811 7.846 1.00 45.33 A ATOM 691 HG2 GLU 41 -9.970 -3.048 8.954 1.00 63.12 A ATOM 692 CD GLU 41 -8.061 -3.021 9.885 1.00 72.23 A ATOM 693 OE1 GLU 41 -7.161 -2.240 10.260 1.00 35.40 A ATOM 694 OE2 GLU 41 -8.207 -4.171 10.348 1.00 34.41 A ATOM 695 C GLU 41 -9.506 0.832 10.488 1.00 65.51 A ATOM 696 O GLU 41 -8.765 1.014 11.454 1.00 43.05 A ATOM 697 N MET 42 -9.941 1.819 9.713 1.00 14.52 A ATOM 698 HN MET 42 -10.530 1.612 8.958 1.00 72.43 A ATOM 699 CA MET 42 -9.566 3.207 9.961 1.00 60.33 A ATOM 700 HA MET 42 -8.508 3.302 9.770 1.00 43.33 A ATOM 701 CB MET 42 -10.328 4.140 9.018 1.00 62.35 A ATOM 702 HB1 MET 42 -10.326 5.135 9.435 1.00 2.44 A ATOM 703 HB2 MET 42 -11.348 3.795 8.935 1.00 65.50 A ATOM 704 CG MET 42 -9.733 4.209 7.620 1.00 34.12 A ATOM 705 HG1 MET 42 -10.432 4.718 6.972 1.00 23.32 A ATOM 706 HG2 MET 42 -9.578 3.203 7.259 1.00 43.30 A ATOM 707 SD MET 42 -8.159 5.087 7.578 1.00 71.12 A ATOM 708 CE MET 42 -7.102 3.851 6.827 1.00 33.22 A ATOM 709 HE1 MET 42 -7.304 3.799 5.768 1.00 55.44 A ATOM 710 HE2 MET 42 -6.068 4.119 6.984 1.00 60.11 A ATOM 711 HE3 MET 42 -7.298 2.889 7.278 1.00 21.32 A ATOM 712 C MET 42 -9.841 3.594 11.410 1.00 14.21 A ATOM 713 O MET 42 -9.039 4.280 12.044 1.00 64.42 A ATOM 714 N LYS 43 -10.981 3.152 11.930 1.00 74.52 A ATOM 715 HN LYS 43 -11.581 2.609 11.375 1.00 42.14 A ATOM 716 CA LYS 43 -11.363 3.451 13.305 1.00 71.32 A ATOM 717 HA LYS 43 -11.460 4.522 13.397 1.00 73.24 A ATOM 718 CB LYS 43 -12.707 2.798 13.636 1.00 11.12 A ATOM 719 HB1 LYS 43 -12.859 2.838 14.705 1.00 12.43 A ATOM 720 HB2 LYS 43 -12.678 1.764 13.324 1.00 14.53 A ATOM 721 CG LYS 43 -13.891 3.468 12.961 1.00 74.31 A ATOM 722 HG1 LYS 43 -13.837 3.286 11.897 1.00 73.22 A ATOM 723 HG2 LYS 43 -13.848 4.530 13.149 1.00 51.22 A ATOM 724 CD LYS 43 -15.211 2.929 13.487 1.00 12.11 A ATOM 725 HD1 LYS 43 -15.343 3.259 14.508 1.00 54.32 A ATOM 726 HD2 LYS 43 -15.188 1.850 13.456 1.00 22.15 A ATOM 727 CE LYS 43 -16.385 3.418 12.653 1.00 12.50 A ATOM 728 HE1 LYS 43 -16.266 4.477 12.474 1.00 62.22 A ATOM 729 HE2 LYS 43 -17.297 3.248 13.204 1.00 73.31 A ATOM 730 NZ LYS 43 -16.469 2.712 11.345 1.00 32.40 A ATOM 731 HZ1 LYS 43 -17.430 2.794 10.956 1.00 33.30 A ATOM 732 HZ2 LYS 43 -16.242 1.704 11.468 1.00 14.31 A ATOM 733 HZ3 LYS 43 -15.797 3.128 10.670 1.00 64.41 A ATOM 734 C LYS 43 -10.297 2.968 14.283 1.00 43.02 A ATOM 735 O LYS 43 -10.104 3.556 15.347 1.00 4.11 A ATOM 736 N LYS 44 -9.605 1.895 13.915 1.00 74.31 A ATOM 737 HN LYS 44 -9.805 1.469 13.054 1.00 14.42 A ATOM 738 CA LYS 44 -8.556 1.334 14.758 1.00 71.12 A ATOM 739 HA LYS 44 -8.975 1.159 15.737 1.00 72.31 A ATOM 740 CB LYS 44 -8.066 0.004 14.180 1.00 3.23 A ATOM 741 HB1 LYS 44 -7.417 -0.471 14.903 1.00 51.35 A ATOM 742 HB2 LYS 44 -7.503 0.202 13.280 1.00 52.12 A ATOM 743 CG LYS 44 -9.187 -0.962 13.840 1.00 54.43 A ATOM 744 HG1 LYS 44 -8.764 -1.840 13.373 1.00 35.01 A ATOM 745 HG2 LYS 44 -9.869 -0.480 13.154 1.00 63.53 A ATOM 746 CD LYS 44 -9.956 -1.383 15.081 1.00 71.54 A ATOM 747 HD1 LYS 44 -9.295 -1.341 15.935 1.00 61.23 A ATOM 748 HD2 LYS 44 -10.311 -2.395 14.948 1.00 44.23 A ATOM 749 CE LYS 44 -11.149 -0.474 15.333 1.00 31.42 A ATOM 750 HE1 LYS 44 -11.686 -0.341 14.406 1.00 60.14 A ATOM 751 HE2 LYS 44 -10.789 0.482 15.681 1.00 72.30 A ATOM 752 NZ LYS 44 -12.074 -1.044 16.352 1.00 55.24 A ATOM 753 HZ1 LYS 44 -11.763 -0.774 17.307 1.00 74.31 A ATOM 754 HZ2 LYS 44 -12.086 -2.081 16.283 1.00 33.32 A ATOM 755 HZ3 LYS 44 -13.039 -0.686 16.199 1.00 43.35 A ATOM 756 C LYS 44 -7.387 2.305 14.890 1.00 71.14 A ATOM 757 O LYS 44 -6.812 2.457 15.968 1.00 24.11 A ATOM 758 N LEU 45 -7.042 2.961 13.787 1.00 23.23 A ATOM 759 HN LEU 45 -7.537 2.798 12.958 1.00 32.23 A ATOM 760 CA LEU 45 -5.942 3.919 13.780 1.00 2.12 A ATOM 761 HA LEU 45 -5.057 3.411 14.133 1.00 31.54 A ATOM 762 CB LEU 45 -5.691 4.427 12.359 1.00 10.03 A ATOM 763 HB1 LEU 45 -4.701 4.861 12.334 1.00 73.41 A ATOM 764 HB2 LEU 45 -6.422 5.192 12.148 1.00 73.12 A ATOM 765 CG LEU 45 -5.774 3.380 11.248 1.00 42.11 A ATOM 766 HG LEU 45 -6.789 3.014 11.182 1.00 31.31 A ATOM 767 CD1 LEU 45 -5.410 3.996 9.906 1.00 51.30 A ATOM 768 HD11 LEU 45 -5.512 3.254 9.129 1.00 32.44 A ATOM 769 HD12 LEU 45 -4.389 4.348 9.936 1.00 34.22 A ATOM 770 HD13 LEU 45 -6.070 4.826 9.700 1.00 12.34 A ATOM 771 CD2 LEU 45 -4.865 2.200 11.559 1.00 73.54 A ATOM 772 HD21 LEU 45 -4.130 2.495 12.292 1.00 10.24 A ATOM 773 HD22 LEU 45 -4.365 1.883 10.655 1.00 44.11 A ATOM 774 HD23 LEU 45 -5.456 1.384 11.948 1.00 24.23 A ATOM 775 C LEU 45 -6.237 5.094 14.708 1.00 62.43 A ATOM 776 O LEU 45 -5.347 5.594 15.394 1.00 24.24 A ATOM 777 N ALA 46 -7.493 5.527 14.723 1.00 0.44 A ATOM 778 HN ALA 46 -8.158 5.088 14.153 1.00 24.34 A ATOM 779 CA ALA 46 -7.906 6.640 15.570 1.00 74.14 A ATOM 780 HA ALA 46 -7.087 7.342 15.622 1.00 25.23 A ATOM 781 CB ALA 46 -9.101 7.354 14.956 1.00 53.33 A ATOM 782 HB1 ALA 46 -10.014 6.924 15.341 1.00 30.43 A ATOM 783 HB2 ALA 46 -9.062 8.403 15.209 1.00 14.10 A ATOM 784 HB3 ALA 46 -9.075 7.241 13.882 1.00 11.42 A ATOM 785 C ALA 46 -8.240 6.163 16.979 1.00 3.12 A ATOM 786 O ALA 46 -8.284 6.957 17.918 1.00 10.30 A ATOM 787 N GLU 47 -8.474 4.862 17.119 1.00 2.01 A ATOM 788 HN GLU 47 -8.423 4.280 16.333 1.00 74.43 A ATOM 789 CA GLU 47 -8.805 4.281 18.415 1.00 2.10 A ATOM 790 HA GLU 47 -9.376 5.010 18.969 1.00 13.31 A ATOM 791 CB GLU 47 -9.652 3.020 18.232 1.00 11.22 A ATOM 792 HB1 GLU 47 -9.439 2.338 19.042 1.00 64.35 A ATOM 793 HB2 GLU 47 -9.382 2.551 17.298 1.00 45.55 A ATOM 794 CG GLU 47 -11.148 3.289 18.217 1.00 24.32 A ATOM 795 HG1 GLU 47 -11.450 3.512 17.205 1.00 51.13 A ATOM 796 HG2 GLU 47 -11.354 4.139 18.849 1.00 11.41 A ATOM 797 CD GLU 47 -11.957 2.108 18.716 1.00 74.31 A ATOM 798 OE1 GLU 47 -13.072 1.891 18.197 1.00 33.43 A ATOM 799 OE2 GLU 47 -11.475 1.400 19.625 1.00 12.33 A ATOM 800 C GLU 47 -7.540 3.948 19.201 1.00 62.42 A ATOM 801 O GLU 47 -7.537 3.974 20.431 1.00 63.31 A ATOM 802 N GLU 48 -6.468 3.634 18.480 1.00 62.11 A ATOM 803 HN GLU 48 -6.533 3.631 17.502 1.00 30.41 A ATOM 804 CA GLU 48 -5.197 3.294 19.110 1.00 74.24 A ATOM 805 HA GLU 48 -5.350 3.281 20.178 1.00 20.42 A ATOM 806 CB GLU 48 -4.733 1.908 18.657 1.00 72.12 A ATOM 807 HB1 GLU 48 -4.188 2.010 17.730 1.00 23.33 A ATOM 808 HB2 GLU 48 -5.601 1.288 18.486 1.00 14.44 A ATOM 809 CG GLU 48 -3.836 1.207 19.664 1.00 52.54 A ATOM 810 HG1 GLU 48 -4.183 1.441 20.659 1.00 32.04 A ATOM 811 HG2 GLU 48 -2.827 1.571 19.541 1.00 22.32 A ATOM 812 CD GLU 48 -3.832 -0.299 19.492 1.00 31.22 A ATOM 813 OE1 GLU 48 -4.928 -0.883 19.355 1.00 43.11 A ATOM 814 OE2 GLU 48 -2.735 -0.894 19.496 1.00 65.43 A ATOM 815 C GLU 48 -4.130 4.333 18.778 1.00 14.11 A ATOM 816 O GLU 48 -4.263 5.092 17.817 1.00 31.35 A ATOM 817 N LYS 49 -3.072 4.362 19.581 1.00 42.33 A ATOM 818 HN LYS 49 -3.023 3.732 20.330 1.00 31.03 A ATOM 819 CA LYS 49 -1.980 5.307 19.374 1.00 34.23 A ATOM 820 HA LYS 49 -2.371 6.302 19.520 1.00 11.42 A ATOM 821 CB LYS 49 -0.863 5.056 20.389 1.00 1.34 A ATOM 822 HB1 LYS 49 -0.096 5.806 20.255 1.00 71.32 A ATOM 823 HB2 LYS 49 -0.437 4.081 20.205 1.00 52.02 A ATOM 824 CG LYS 49 -1.331 5.107 21.834 1.00 45.24 A ATOM 825 HG1 LYS 49 -0.577 4.655 22.463 1.00 61.45 A ATOM 826 HG2 LYS 49 -2.255 4.556 21.923 1.00 22.11 A ATOM 827 CD LYS 49 -1.564 6.536 22.294 1.00 13.20 A ATOM 828 HD1 LYS 49 -0.911 7.195 21.740 1.00 42.21 A ATOM 829 HD2 LYS 49 -1.340 6.607 23.348 1.00 51.20 A ATOM 830 CE LYS 49 -3.006 6.966 22.069 1.00 70.51 A ATOM 831 HE1 LYS 49 -3.396 6.434 21.213 1.00 14.44 A ATOM 832 HE2 LYS 49 -3.026 8.027 21.873 1.00 24.41 A ATOM 833 NZ LYS 49 -3.862 6.675 23.252 1.00 14.01 A ATOM 834 HZ1 LYS 49 -3.270 6.523 24.093 1.00 24.21 A ATOM 835 HZ2 LYS 49 -4.429 5.820 23.082 1.00 64.41 A ATOM 836 HZ3 LYS 49 -4.505 7.473 23.433 1.00 25.42 A ATOM 837 C LYS 49 -1.428 5.198 17.957 1.00 44.22 A ATOM 838 O LYS 49 -1.827 4.323 17.190 1.00 31.24 A ATOM 839 N ASN 50 -0.506 6.093 17.616 1.00 65.31 A ATOM 840 HN ASN 50 -0.228 6.767 18.271 1.00 64.32 A ATOM 841 CA ASN 50 0.103 6.096 16.290 1.00 13.24 A ATOM 842 HA ASN 50 -0.400 5.351 15.693 1.00 31.41 A ATOM 843 CB ASN 50 -0.073 7.465 15.629 1.00 30.24 A ATOM 844 HB1 ASN 50 -0.986 7.466 15.054 1.00 74.22 A ATOM 845 HB2 ASN 50 0.763 7.650 14.971 1.00 62.33 A ATOM 846 CG ASN 50 -0.142 8.591 16.642 1.00 10.41 A ATOM 847 OD1 ASN 50 0.879 9.167 17.017 1.00 5.14 A ATOM 848 ND2 ASN 50 -1.351 8.911 17.090 1.00 44.11 A ATOM 849 HD21 ASN 50 -2.120 8.409 16.747 1.00 45.32 A ATOM 850 HD22 ASN 50 -1.424 9.636 17.745 1.00 53.31 A ATOM 851 C ASN 50 1.585 5.745 16.371 1.00 22.32 A ATOM 852 O ASN 50 2.446 6.624 16.328 1.00 30.14 A ATOM 853 N PHE 51 1.876 4.453 16.488 1.00 51.22 A ATOM 854 HN PHE 51 1.146 3.800 16.517 1.00 73.45 A ATOM 855 CA PHE 51 3.254 3.985 16.575 1.00 60.41 A ATOM 856 HA PHE 51 3.897 4.787 16.248 1.00 23.11 A ATOM 857 CB PHE 51 3.602 3.624 18.021 1.00 41.23 A ATOM 858 HB1 PHE 51 4.412 2.911 18.021 1.00 70.51 A ATOM 859 HB2 PHE 51 2.737 3.182 18.492 1.00 64.30 A ATOM 860 CG PHE 51 4.024 4.805 18.848 1.00 61.22 A ATOM 861 CD1 PHE 51 4.976 5.694 18.375 1.00 55.11 A ATOM 862 HD1 PHE 51 5.415 5.533 17.401 1.00 31.45 A ATOM 863 CD2 PHE 51 3.469 5.025 20.098 1.00 50.50 A ATOM 864 HD2 PHE 51 2.726 4.338 20.477 1.00 73.12 A ATOM 865 CE1 PHE 51 5.366 6.781 19.134 1.00 21.34 A ATOM 866 HE1 PHE 51 6.108 7.467 18.754 1.00 22.14 A ATOM 867 CE2 PHE 51 3.855 6.111 20.862 1.00 63.31 A ATOM 868 HE2 PHE 51 3.414 6.271 21.834 1.00 0.14 A ATOM 869 CZ PHE 51 4.804 6.990 20.379 1.00 65.01 A ATOM 870 HZ PHE 51 5.108 7.838 20.974 1.00 22.02 A ATOM 871 C PHE 51 3.476 2.776 15.670 1.00 11.11 A ATOM 872 O PHE 51 4.186 2.860 14.669 1.00 54.45 A ATOM 873 N GLU 52 2.864 1.653 16.032 1.00 55.00 A ATOM 874 HN GLU 52 2.311 1.649 16.841 1.00 31.22 A ATOM 875 CA GLU 52 2.995 0.427 15.254 1.00 64.03 A ATOM 876 HA GLU 52 4.030 0.120 15.292 1.00 75.34 A ATOM 877 CB GLU 52 2.126 -0.680 15.853 1.00 32.03 A ATOM 878 HB1 GLU 52 1.103 -0.527 15.541 1.00 44.43 A ATOM 879 HB2 GLU 52 2.176 -0.617 16.930 1.00 23.54 A ATOM 880 CG GLU 52 2.547 -2.079 15.435 1.00 2.23 A ATOM 881 HG1 GLU 52 2.847 -2.056 14.398 1.00 51.31 A ATOM 882 HG2 GLU 52 1.705 -2.744 15.551 1.00 71.34 A ATOM 883 CD GLU 52 3.701 -2.612 16.262 1.00 44.32 A ATOM 884 OE1 GLU 52 3.765 -2.290 17.467 1.00 64.30 A ATOM 885 OE2 GLU 52 4.540 -3.349 15.704 1.00 24.51 A ATOM 886 C GLU 52 2.606 0.662 13.797 1.00 15.53 A ATOM 887 O GLU 52 1.593 1.301 13.509 1.00 70.22 A ATOM 888 N LYS 53 3.417 0.143 12.882 1.00 30.14 A ATOM 889 HN LYS 53 4.209 -0.356 13.174 1.00 1.04 A ATOM 890 CA LYS 53 3.159 0.295 11.455 1.00 32.44 A ATOM 891 HA LYS 53 2.745 1.279 11.296 1.00 74.41 A ATOM 892 CB LYS 53 4.463 0.168 10.664 1.00 14.41 A ATOM 893 HB1 LYS 53 4.238 -0.230 9.685 1.00 22.21 A ATOM 894 HB2 LYS 53 5.118 -0.517 11.181 1.00 63.05 A ATOM 895 CG LYS 53 5.196 1.487 10.485 1.00 34.33 A ATOM 896 HG1 LYS 53 4.513 2.214 10.069 1.00 11.13 A ATOM 897 HG2 LYS 53 6.023 1.339 9.808 1.00 45.01 A ATOM 898 CD LYS 53 5.730 2.011 11.807 1.00 2.34 A ATOM 899 HD1 LYS 53 4.932 2.006 12.536 1.00 32.00 A ATOM 900 HD2 LYS 53 6.085 3.022 11.667 1.00 31.52 A ATOM 901 CE LYS 53 6.877 1.156 12.324 1.00 73.42 A ATOM 902 HE1 LYS 53 6.514 0.151 12.486 1.00 1.33 A ATOM 903 HE2 LYS 53 7.224 1.568 13.259 1.00 52.24 A ATOM 904 NZ LYS 53 8.013 1.111 11.362 1.00 53.31 A ATOM 905 HZ1 LYS 53 8.832 0.642 11.799 1.00 50.15 A ATOM 906 HZ2 LYS 53 8.286 2.076 11.087 1.00 1.12 A ATOM 907 HZ3 LYS 53 7.738 0.584 10.509 1.00 65.32 A ATOM 908 C LYS 53 2.155 -0.746 10.970 1.00 33.25 A ATOM 909 O LYS 53 2.367 -1.949 11.131 1.00 50.52 A ATOM 910 N ILE 54 1.063 -0.277 10.377 1.00 51.45 A ATOM 911 HN ILE 54 0.951 0.692 10.279 1.00 71.35 A ATOM 912 CA ILE 54 0.028 -1.168 9.866 1.00 2.53 A ATOM 913 HA ILE 54 0.225 -2.159 10.248 1.00 72.10 A ATOM 914 CB ILE 54 -1.372 -0.734 10.340 1.00 24.32 A ATOM 915 HB ILE 54 -1.607 0.212 9.877 1.00 32.33 A ATOM 916 CG1 ILE 54 -1.390 -0.566 11.861 1.00 44.42 A ATOM 917 HG11 ILE 54 -2.366 -0.218 12.165 1.00 34.33 A ATOM 918 HG12 ILE 54 -0.649 0.165 12.145 1.00 64.24 A ATOM 919 CG2 ILE 54 -2.417 -1.749 9.902 1.00 22.40 A ATOM 920 HG21 ILE 54 -3.260 -1.711 10.576 1.00 72.14 A ATOM 921 HG22 ILE 54 -2.746 -1.517 8.901 1.00 53.44 A ATOM 922 HG23 ILE 54 -1.987 -2.739 9.919 1.00 20.52 A ATOM 923 CD1 ILE 54 -1.094 -1.844 12.614 1.00 11.31 A ATOM 924 HD11 ILE 54 -0.121 -1.773 13.076 1.00 4.35 A ATOM 925 HD12 ILE 54 -1.845 -1.996 13.375 1.00 42.24 A ATOM 926 HD13 ILE 54 -1.105 -2.677 11.926 1.00 23.34 A ATOM 927 C ILE 54 0.045 -1.214 8.342 1.00 0.52 A ATOM 928 O ILE 54 0.353 -0.219 7.683 1.00 23.44 A ATOM 929 N LEU 55 -0.290 -2.373 7.787 1.00 21.02 A ATOM 930 HN LEU 55 -0.526 -3.129 8.364 1.00 62.14 A ATOM 931 CA LEU 55 -0.316 -2.549 6.339 1.00 24.12 A ATOM 932 HA LEU 55 -0.064 -1.602 5.886 1.00 44.01 A ATOM 933 CB LEU 55 0.716 -3.595 5.915 1.00 63.44 A ATOM 934 HB1 LEU 55 0.269 -4.571 6.042 1.00 12.14 A ATOM 935 HB2 LEU 55 1.569 -3.504 6.570 1.00 34.11 A ATOM 936 CG LEU 55 1.220 -3.495 4.474 1.00 4.05 A ATOM 937 HG LEU 55 1.306 -2.452 4.201 1.00 34.14 A ATOM 938 CD1 LEU 55 2.598 -4.127 4.346 1.00 53.02 A ATOM 939 HD11 LEU 55 2.673 -4.636 3.397 1.00 72.10 A ATOM 940 HD12 LEU 55 2.745 -4.836 5.147 1.00 12.54 A ATOM 941 HD13 LEU 55 3.354 -3.357 4.403 1.00 35.30 A ATOM 942 CD2 LEU 55 0.238 -4.154 3.518 1.00 35.41 A ATOM 943 HD21 LEU 55 0.686 -5.042 3.097 1.00 22.11 A ATOM 944 HD22 LEU 55 -0.009 -3.465 2.724 1.00 55.22 A ATOM 945 HD23 LEU 55 -0.660 -4.424 4.054 1.00 13.10 A ATOM 946 C LEU 55 -1.704 -2.967 5.866 1.00 13.50 A ATOM 947 O LEU 55 -2.252 -3.969 6.326 1.00 13.53 A ATOM 948 N ILE 56 -2.266 -2.193 4.943 1.00 34.23 A ATOM 949 HN ILE 56 -1.780 -1.409 4.616 1.00 43.41 A ATOM 950 CA ILE 56 -3.589 -2.485 4.405 1.00 34.05 A ATOM 951 HA ILE 56 -4.074 -3.183 5.073 1.00 65.41 A ATOM 952 CB ILE 56 -4.456 -1.214 4.322 1.00 62.44 A ATOM 953 HB ILE 56 -3.974 -0.521 3.650 1.00 41.23 A ATOM 954 CG1 ILE 56 -4.585 -0.567 5.702 1.00 44.33 A ATOM 955 HG11 ILE 56 -5.128 0.362 5.606 1.00 40.34 A ATOM 956 HG12 ILE 56 -3.599 -0.363 6.091 1.00 74.34 A ATOM 957 CG2 ILE 56 -5.829 -1.546 3.756 1.00 44.12 A ATOM 958 HG21 ILE 56 -6.583 -0.991 4.294 1.00 50.14 A ATOM 959 HG22 ILE 56 -5.861 -1.276 2.711 1.00 74.32 A ATOM 960 HG23 ILE 56 -6.016 -2.604 3.861 1.00 10.33 A ATOM 961 CD1 ILE 56 -5.312 -1.430 6.709 1.00 51.32 A ATOM 962 HD11 ILE 56 -5.556 -2.381 6.259 1.00 51.31 A ATOM 963 HD12 ILE 56 -4.681 -1.589 7.570 1.00 50.21 A ATOM 964 HD13 ILE 56 -6.222 -0.934 7.016 1.00 30.33 A ATOM 965 C ILE 56 -3.493 -3.113 3.019 1.00 30.55 A ATOM 966 O ILE 56 -2.819 -2.587 2.134 1.00 52.34 A ATOM 967 N ILE 57 -4.172 -4.241 2.839 1.00 72.13 A ATOM 968 HN ILE 57 -4.691 -4.612 3.583 1.00 44.51 A ATOM 969 CA ILE 57 -4.165 -4.940 1.559 1.00 15.34 A ATOM 970 HA ILE 57 -3.576 -4.358 0.865 1.00 1.15 A ATOM 971 CB ILE 57 -3.529 -6.337 1.684 1.00 1.51 A ATOM 972 HB ILE 57 -4.124 -6.919 2.370 1.00 34.03 A ATOM 973 CG1 ILE 57 -2.104 -6.225 2.229 1.00 44.41 A ATOM 974 HG11 ILE 57 -2.114 -5.614 3.120 1.00 10.13 A ATOM 975 HG12 ILE 57 -1.476 -5.758 1.486 1.00 53.00 A ATOM 976 CG2 ILE 57 -3.533 -7.042 0.336 1.00 22.54 A ATOM 977 HG21 ILE 57 -2.564 -7.487 0.160 1.00 33.14 A ATOM 978 HG22 ILE 57 -4.287 -7.815 0.337 1.00 14.42 A ATOM 979 HG23 ILE 57 -3.748 -6.328 -0.444 1.00 33.31 A ATOM 980 CD1 ILE 57 -1.487 -7.559 2.586 1.00 44.22 A ATOM 981 HD11 ILE 57 -2.264 -8.302 2.679 1.00 74.45 A ATOM 982 HD12 ILE 57 -0.795 -7.855 1.812 1.00 43.32 A ATOM 983 HD13 ILE 57 -0.960 -7.472 3.525 1.00 4.23 A ATOM 984 C ILE 57 -5.579 -5.085 1.005 1.00 45.11 A ATOM 985 O ILE 57 -6.476 -5.581 1.686 1.00 23.21 A ATOM 986 N SER 58 -5.769 -4.650 -0.237 1.00 2.14 A ATOM 987 HN SER 58 -5.014 -4.264 -0.729 1.00 2.05 A ATOM 988 CA SER 58 -7.074 -4.730 -0.883 1.00 5.51 A ATOM 989 HA SER 58 -7.618 -5.545 -0.430 1.00 54.44 A ATOM 990 CB SER 58 -7.852 -3.430 -0.669 1.00 33.20 A ATOM 991 HB1 SER 58 -7.188 -2.589 -0.807 1.00 33.02 A ATOM 992 HB2 SER 58 -8.251 -3.413 0.334 1.00 61.41 A ATOM 993 OG SER 58 -8.925 -3.321 -1.589 1.00 21.24 A ATOM 994 HG SER 58 -9.319 -2.449 -1.519 1.00 50.41 A ATOM 995 C SER 58 -6.924 -5.006 -2.376 1.00 32.31 A ATOM 996 O SER 58 -5.860 -4.793 -2.954 1.00 42.53 A ATOM 997 N ASN 59 -8.000 -5.484 -2.993 1.00 51.32 A ATOM 998 HN ASN 59 -8.820 -5.633 -2.478 1.00 72.31 A ATOM 999 CA ASN 59 -7.990 -5.791 -4.419 1.00 1.11 A ATOM 1000 HA ASN 59 -7.005 -5.565 -4.799 1.00 52.04 A ATOM 1001 CB ASN 59 -8.282 -7.276 -4.644 1.00 3.11 A ATOM 1002 HB1 ASN 59 -8.259 -7.485 -5.703 1.00 13.02 A ATOM 1003 HB2 ASN 59 -9.263 -7.506 -4.256 1.00 33.40 A ATOM 1004 CG ASN 59 -7.272 -8.174 -3.955 1.00 75.22 A ATOM 1005 OD1 ASN 59 -6.318 -7.698 -3.341 1.00 42.42 A ATOM 1006 ND2 ASN 59 -7.480 -9.482 -4.055 1.00 21.11 A ATOM 1007 HD21 ASN 59 -8.261 -9.790 -4.560 1.00 74.10 A ATOM 1008 HD22 ASN 59 -6.843 -10.086 -3.619 1.00 12.25 A ATOM 1009 C ASN 59 -9.013 -4.941 -5.166 1.00 34.12 A ATOM 1010 O ASN 59 -9.129 -5.022 -6.389 1.00 23.22 A ATOM 1011 N ASP 60 -9.754 -4.127 -4.422 1.00 5.42 A ATOM 1012 HN ASP 60 -9.615 -4.107 -3.452 1.00 23.14 A ATOM 1013 CA ASP 60 -10.767 -3.260 -5.013 1.00 64.11 A ATOM 1014 HA ASP 60 -11.013 -3.655 -5.987 1.00 41.43 A ATOM 1015 CB ASP 60 -12.028 -3.250 -4.148 1.00 3.02 A ATOM 1016 HB1 ASP 60 -11.913 -2.516 -3.364 1.00 42.42 A ATOM 1017 HB2 ASP 60 -12.160 -4.226 -3.704 1.00 71.22 A ATOM 1018 CG ASP 60 -13.273 -2.913 -4.944 1.00 12.13 A ATOM 1019 OD1 ASP 60 -14.319 -3.554 -4.709 1.00 53.11 A ATOM 1020 OD2 ASP 60 -13.202 -2.007 -5.801 1.00 33.55 A ATOM 1021 C ASP 60 -10.237 -1.839 -5.179 1.00 22.15 A ATOM 1022 O ASP 60 -9.534 -1.322 -4.310 1.00 13.41 A ATOM 1023 N LYS 61 -10.577 -1.213 -6.300 1.00 34.10 A ATOM 1024 HN LYS 61 -11.140 -1.678 -6.955 1.00 21.21 A ATOM 1025 CA LYS 61 -10.137 0.148 -6.581 1.00 10.22 A ATOM 1026 HA LYS 61 -9.083 0.209 -6.355 1.00 13.41 A ATOM 1027 CB LYS 61 -10.350 0.480 -8.060 1.00 2.25 A ATOM 1028 HB1 LYS 61 -9.945 1.462 -8.257 1.00 42.34 A ATOM 1029 HB2 LYS 61 -11.410 0.490 -8.265 1.00 70.51 A ATOM 1030 CG LYS 61 -9.689 -0.507 -9.006 1.00 20.23 A ATOM 1031 HG1 LYS 61 -10.082 -1.495 -8.813 1.00 33.35 A ATOM 1032 HG2 LYS 61 -8.623 -0.502 -8.831 1.00 13.31 A ATOM 1033 CD LYS 61 -9.950 -0.148 -10.459 1.00 13.53 A ATOM 1034 HD1 LYS 61 -9.675 0.885 -10.620 1.00 12.31 A ATOM 1035 HD2 LYS 61 -11.001 -0.279 -10.670 1.00 11.11 A ATOM 1036 CE LYS 61 -9.146 -1.027 -11.404 1.00 1.31 A ATOM 1037 HE1 LYS 61 -9.525 -2.036 -11.345 1.00 23.50 A ATOM 1038 HE2 LYS 61 -8.112 -1.012 -11.096 1.00 22.11 A ATOM 1039 NZ LYS 61 -9.239 -0.556 -12.814 1.00 3.34 A ATOM 1040 HZ1 LYS 61 -8.502 -1.009 -13.391 1.00 23.33 A ATOM 1041 HZ2 LYS 61 -9.109 0.475 -12.855 1.00 15.30 A ATOM 1042 HZ3 LYS 61 -10.170 -0.794 -13.210 1.00 11.03 A ATOM 1043 C LYS 61 -10.886 1.153 -5.711 1.00 23.34 A ATOM 1044 O LYS 61 -10.338 2.187 -5.331 1.00 1.21 A ATOM 1045 N GLN 62 -12.139 0.839 -5.398 1.00 1.51 A ATOM 1046 HN GLN 62 -12.519 0.001 -5.731 1.00 33.31 A ATOM 1047 CA GLN 62 -12.961 1.715 -4.572 1.00 12.34 A ATOM 1048 HA GLN 62 -12.969 2.692 -5.030 1.00 43.51 A ATOM 1049 CB GLN 62 -14.395 1.188 -4.503 1.00 34.24 A ATOM 1050 HB1 GLN 62 -14.366 0.117 -4.366 1.00 31.22 A ATOM 1051 HB2 GLN 62 -14.893 1.410 -5.434 1.00 54.05 A ATOM 1052 CG GLN 62 -15.211 1.790 -3.370 1.00 54.12 A ATOM 1053 HG1 GLN 62 -14.843 2.785 -3.168 1.00 40.03 A ATOM 1054 HG2 GLN 62 -15.089 1.177 -2.490 1.00 34.33 A ATOM 1055 CD GLN 62 -16.689 1.877 -3.698 1.00 30.24 A ATOM 1056 OE1 GLN 62 -17.502 1.126 -3.158 1.00 25.44 A ATOM 1057 NE2 GLN 62 -17.046 2.797 -4.587 1.00 24.45 A ATOM 1058 HE21 GLN 62 -16.344 3.359 -4.977 1.00 4.22 A ATOM 1059 HE22 GLN 62 -17.994 2.874 -4.817 1.00 41.14 A ATOM 1060 C GLN 62 -12.384 1.837 -3.165 1.00 45.34 A ATOM 1061 O GLN 62 -12.101 2.939 -2.692 1.00 74.11 A ATOM 1062 N LEU 63 -12.210 0.700 -2.502 1.00 31.41 A ATOM 1063 HN LEU 63 -12.453 -0.147 -2.931 1.00 53.31 A ATOM 1064 CA LEU 63 -11.666 0.679 -1.149 1.00 21.45 A ATOM 1065 HA LEU 63 -12.391 1.136 -0.493 1.00 13.43 A ATOM 1066 CB LEU 63 -11.425 -0.763 -0.697 1.00 12.02 A ATOM 1067 HB1 LEU 63 -10.767 -0.735 0.160 1.00 41.41 A ATOM 1068 HB2 LEU 63 -10.938 -1.286 -1.505 1.00 41.34 A ATOM 1069 CG LEU 63 -12.670 -1.561 -0.306 1.00 41.35 A ATOM 1070 HG LEU 63 -13.370 -1.550 -1.131 1.00 2.13 A ATOM 1071 CD1 LEU 63 -12.307 -3.009 -0.019 1.00 31.32 A ATOM 1072 HD11 LEU 63 -12.336 -3.183 1.046 1.00 1.11 A ATOM 1073 HD12 LEU 63 -11.313 -3.212 -0.390 1.00 13.10 A ATOM 1074 HD13 LEU 63 -13.014 -3.662 -0.510 1.00 12.30 A ATOM 1075 CD2 LEU 63 -13.351 -0.930 0.899 1.00 31.13 A ATOM 1076 HD21 LEU 63 -12.755 -0.104 1.258 1.00 40.25 A ATOM 1077 HD22 LEU 63 -13.451 -1.668 1.683 1.00 54.44 A ATOM 1078 HD23 LEU 63 -14.329 -0.572 0.614 1.00 41.12 A ATOM 1079 C LEU 63 -10.365 1.471 -1.072 1.00 40.33 A ATOM 1080 O LEU 63 -10.176 2.290 -0.172 1.00 12.22 A ATOM 1081 N LEU 64 -9.471 1.224 -2.024 1.00 14.52 A ATOM 1082 HN LEU 64 -9.678 0.561 -2.714 1.00 54.34 A ATOM 1083 CA LEU 64 -8.188 1.917 -2.066 1.00 71.04 A ATOM 1084 HA LEU 64 -7.608 1.592 -1.216 1.00 23.51 A ATOM 1085 CB LEU 64 -7.436 1.560 -3.349 1.00 62.45 A ATOM 1086 HB1 LEU 64 -8.160 1.496 -4.149 1.00 62.44 A ATOM 1087 HB2 LEU 64 -6.976 0.594 -3.205 1.00 40.10 A ATOM 1088 CG LEU 64 -6.344 2.538 -3.782 1.00 5.41 A ATOM 1089 HG LEU 64 -5.928 3.015 -2.905 1.00 20.25 A ATOM 1090 CD1 LEU 64 -5.218 1.803 -4.493 1.00 33.43 A ATOM 1091 HD11 LEU 64 -4.620 1.272 -3.767 1.00 53.42 A ATOM 1092 HD12 LEU 64 -4.599 2.514 -5.019 1.00 72.10 A ATOM 1093 HD13 LEU 64 -5.637 1.100 -5.198 1.00 32.40 A ATOM 1094 CD2 LEU 64 -6.924 3.623 -4.678 1.00 4.12 A ATOM 1095 HD21 LEU 64 -6.993 4.548 -4.124 1.00 33.41 A ATOM 1096 HD22 LEU 64 -7.908 3.327 -5.010 1.00 14.34 A ATOM 1097 HD23 LEU 64 -6.282 3.764 -5.534 1.00 65.35 A ATOM 1098 C LEU 64 -8.381 3.428 -1.981 1.00 34.53 A ATOM 1099 O LEU 64 -7.735 4.103 -1.180 1.00 25.12 A ATOM 1100 N LYS 65 -9.277 3.952 -2.810 1.00 14.12 A ATOM 1101 HN LYS 65 -9.762 3.362 -3.425 1.00 44.15 A ATOM 1102 CA LYS 65 -9.560 5.382 -2.826 1.00 42.54 A ATOM 1103 HA LYS 65 -8.643 5.899 -3.066 1.00 3.02 A ATOM 1104 CB LYS 65 -10.607 5.704 -3.895 1.00 43.14 A ATOM 1105 HB1 LYS 65 -10.775 6.771 -3.908 1.00 2.52 A ATOM 1106 HB2 LYS 65 -11.530 5.206 -3.639 1.00 51.12 A ATOM 1107 CG LYS 65 -10.202 5.269 -5.293 1.00 41.33 A ATOM 1108 HG1 LYS 65 -9.617 4.363 -5.223 1.00 72.03 A ATOM 1109 HG2 LYS 65 -9.607 6.049 -5.745 1.00 53.23 A ATOM 1110 CD LYS 65 -11.416 5.007 -6.169 1.00 43.00 A ATOM 1111 HD1 LYS 65 -12.145 4.447 -5.600 1.00 41.43 A ATOM 1112 HD2 LYS 65 -11.110 4.432 -7.030 1.00 71.33 A ATOM 1113 CE LYS 65 -12.050 6.305 -6.645 1.00 71.34 A ATOM 1114 HE1 LYS 65 -11.307 6.879 -7.178 1.00 44.01 A ATOM 1115 HE2 LYS 65 -12.387 6.862 -5.785 1.00 50.52 A ATOM 1116 NZ LYS 65 -13.209 6.057 -7.547 1.00 52.11 A ATOM 1117 HZ1 LYS 65 -13.781 6.921 -7.639 1.00 43.32 A ATOM 1118 HZ2 LYS 65 -13.807 5.299 -7.160 1.00 52.54 A ATOM 1119 HZ3 LYS 65 -12.875 5.773 -8.490 1.00 4.32 A ATOM 1120 C LYS 65 -10.049 5.856 -1.462 1.00 13.43 A ATOM 1121 O LYS 65 -9.447 6.736 -0.848 1.00 42.30 A ATOM 1122 N GLU 66 -11.144 5.266 -0.993 1.00 32.22 A ATOM 1123 HN GLU 66 -11.580 4.571 -1.529 1.00 22.20 A ATOM 1124 CA GLU 66 -11.713 5.628 0.300 1.00 41.50 A ATOM 1125 HA GLU 66 -12.078 6.642 0.229 1.00 20.22 A ATOM 1126 CB GLU 66 -12.881 4.703 0.646 1.00 22.52 A ATOM 1127 HB1 GLU 66 -13.042 4.731 1.714 1.00 53.13 A ATOM 1128 HB2 GLU 66 -12.623 3.694 0.357 1.00 11.24 A ATOM 1129 CG GLU 66 -14.181 5.080 -0.043 1.00 34.31 A ATOM 1130 HG1 GLU 66 -14.969 4.440 0.328 1.00 40.12 A ATOM 1131 HG2 GLU 66 -14.068 4.929 -1.106 1.00 3.10 A ATOM 1132 CD GLU 66 -14.574 6.524 0.202 1.00 61.31 A ATOM 1133 OE1 GLU 66 -14.924 6.856 1.354 1.00 63.40 A ATOM 1134 OE2 GLU 66 -14.532 7.321 -0.758 1.00 3.53 A ATOM 1135 C GLU 66 -10.655 5.563 1.398 1.00 63.45 A ATOM 1136 O GLU 66 -10.638 6.390 2.308 1.00 2.12 A ATOM 1137 N MET 67 -9.774 4.572 1.303 1.00 21.14 A ATOM 1138 HN MET 67 -9.838 3.943 0.554 1.00 14.23 A ATOM 1139 CA MET 67 -8.712 4.398 2.288 1.00 61.14 A ATOM 1140 HA MET 67 -9.175 4.234 3.249 1.00 51.40 A ATOM 1141 CB MET 67 -7.855 3.181 1.935 1.00 60.40 A ATOM 1142 HB1 MET 67 -7.050 3.496 1.288 1.00 52.41 A ATOM 1143 HB2 MET 67 -8.468 2.463 1.410 1.00 11.40 A ATOM 1144 CG MET 67 -7.249 2.492 3.147 1.00 3.53 A ATOM 1145 HG1 MET 67 -6.952 3.247 3.861 1.00 72.02 A ATOM 1146 HG2 MET 67 -6.378 1.937 2.832 1.00 73.32 A ATOM 1147 SD MET 67 -8.398 1.358 3.949 1.00 60.43 A ATOM 1148 CE MET 67 -8.435 0.018 2.760 1.00 22.15 A ATOM 1149 HE1 MET 67 -8.537 -0.923 3.281 1.00 12.32 A ATOM 1150 HE2 MET 67 -9.272 0.153 2.092 1.00 33.33 A ATOM 1151 HE3 MET 67 -7.516 0.016 2.192 1.00 51.43 A ATOM 1152 C MET 67 -7.836 5.644 2.369 1.00 54.43 A ATOM 1153 O MET 67 -7.678 6.236 3.438 1.00 73.15 A ATOM 1154 N LEU 68 -7.269 6.038 1.234 1.00 52.31 A ATOM 1155 HN LEU 68 -7.432 5.527 0.415 1.00 72.44 A ATOM 1156 CA LEU 68 -6.409 7.215 1.177 1.00 41.03 A ATOM 1157 HA LEU 68 -5.530 7.012 1.771 1.00 53.13 A ATOM 1158 CB LEU 68 -5.982 7.490 -0.266 1.00 74.35 A ATOM 1159 HB1 LEU 68 -5.244 8.279 -0.248 1.00 31.23 A ATOM 1160 HB2 LEU 68 -6.852 7.826 -0.810 1.00 10.23 A ATOM 1161 CG LEU 68 -5.385 6.305 -1.027 1.00 2.33 A ATOM 1162 HG LEU 68 -5.838 5.391 -0.670 1.00 75.21 A ATOM 1163 CD1 LEU 68 -5.677 6.424 -2.515 1.00 24.15 A ATOM 1164 HD11 LEU 68 -6.741 6.351 -2.680 1.00 22.35 A ATOM 1165 HD12 LEU 68 -5.174 5.628 -3.044 1.00 54.14 A ATOM 1166 HD13 LEU 68 -5.320 7.377 -2.876 1.00 52.42 A ATOM 1167 CD2 LEU 68 -3.886 6.215 -0.781 1.00 3.41 A ATOM 1168 HD21 LEU 68 -3.384 5.970 -1.705 1.00 60.32 A ATOM 1169 HD22 LEU 68 -3.687 5.447 -0.048 1.00 64.31 A ATOM 1170 HD23 LEU 68 -3.523 7.165 -0.415 1.00 74.44 A ATOM 1171 C LEU 68 -7.119 8.437 1.751 1.00 42.05 A ATOM 1172 O LEU 68 -6.594 9.112 2.635 1.00 11.32 A ATOM 1173 N GLU 69 -8.316 8.713 1.242 1.00 44.13 A ATOM 1174 HN GLU 69 -8.681 8.137 0.538 1.00 3.10 A ATOM 1175 CA GLU 69 -9.098 9.853 1.705 1.00 5.25 A ATOM 1176 HA GLU 69 -8.578 10.753 1.412 1.00 31.11 A ATOM 1177 CB GLU 69 -10.484 9.846 1.058 1.00 1.20 A ATOM 1178 HB1 GLU 69 -11.031 10.713 1.399 1.00 31.31 A ATOM 1179 HB2 GLU 69 -11.009 8.955 1.369 1.00 1.12 A ATOM 1180 CG GLU 69 -10.447 9.874 -0.461 1.00 24.53 A ATOM 1181 HG1 GLU 69 -10.372 8.859 -0.825 1.00 0.35 A ATOM 1182 HG2 GLU 69 -9.579 10.433 -0.777 1.00 23.42 A ATOM 1183 CD GLU 69 -11.681 10.515 -1.063 1.00 53.22 A ATOM 1184 OE1 GLU 69 -12.247 9.935 -2.014 1.00 20.15 A ATOM 1185 OE2 GLU 69 -12.082 11.597 -0.585 1.00 43.01 A ATOM 1186 C GLU 69 -9.234 9.837 3.225 1.00 2.43 A ATOM 1187 O GLU 69 -9.052 10.860 3.887 1.00 1.30 A ATOM 1188 N LEU 70 -9.556 8.670 3.772 1.00 5.42 A ATOM 1189 HN LEU 70 -9.688 7.891 3.194 1.00 64.12 A ATOM 1190 CA LEU 70 -9.717 8.520 5.214 1.00 31.13 A ATOM 1191 HA LEU 70 -10.428 9.261 5.547 1.00 52.30 A ATOM 1192 CB LEU 70 -10.258 7.127 5.544 1.00 4.42 A ATOM 1193 HB1 LEU 70 -10.159 6.979 6.610 1.00 12.53 A ATOM 1194 HB2 LEU 70 -9.647 6.404 5.025 1.00 54.51 A ATOM 1195 CG LEU 70 -11.716 6.867 5.166 1.00 31.43 A ATOM 1196 HG LEU 70 -11.950 7.412 4.263 1.00 54.43 A ATOM 1197 CD1 LEU 70 -11.940 5.388 4.892 1.00 72.31 A ATOM 1198 HD11 LEU 70 -12.404 4.928 5.752 1.00 43.33 A ATOM 1199 HD12 LEU 70 -10.992 4.910 4.696 1.00 5.20 A ATOM 1200 HD13 LEU 70 -12.584 5.275 4.032 1.00 62.23 A ATOM 1201 CD2 LEU 70 -12.647 7.354 6.267 1.00 74.22 A ATOM 1202 HD21 LEU 70 -13.665 7.093 6.018 1.00 74.31 A ATOM 1203 HD22 LEU 70 -12.564 8.427 6.360 1.00 2.01 A ATOM 1204 HD23 LEU 70 -12.374 6.888 7.202 1.00 52.11 A ATOM 1205 C LEU 70 -8.394 8.749 5.937 1.00 23.34 A ATOM 1206 O LEU 70 -8.369 9.245 7.064 1.00 44.31 A ATOM 1207 N ILE 71 -7.297 8.385 5.282 1.00 43.44 A ATOM 1208 HN ILE 71 -7.382 7.995 4.387 1.00 44.41 A ATOM 1209 CA ILE 71 -5.970 8.554 5.861 1.00 41.41 A ATOM 1210 HA ILE 71 -6.023 8.274 6.903 1.00 34.00 A ATOM 1211 CB ILE 71 -4.934 7.650 5.168 1.00 23.30 A ATOM 1212 HB ILE 71 -4.900 7.914 4.122 1.00 3.54 A ATOM 1213 CG1 ILE 71 -5.339 6.180 5.299 1.00 2.12 A ATOM 1214 HG11 ILE 71 -6.416 6.115 5.352 1.00 71.14 A ATOM 1215 HG12 ILE 71 -4.914 5.775 6.204 1.00 0.42 A ATOM 1216 CG2 ILE 71 -3.551 7.879 5.760 1.00 60.52 A ATOM 1217 HG21 ILE 71 -3.016 8.598 5.157 1.00 32.03 A ATOM 1218 HG22 ILE 71 -3.649 8.256 6.767 1.00 62.43 A ATOM 1219 HG23 ILE 71 -3.007 6.946 5.775 1.00 2.32 A ATOM 1220 CD1 ILE 71 -4.876 5.320 4.144 1.00 2.30 A ATOM 1221 HD11 ILE 71 -3.846 5.550 3.914 1.00 41.12 A ATOM 1222 HD12 ILE 71 -4.962 4.278 4.413 1.00 41.42 A ATOM 1223 HD13 ILE 71 -5.490 5.520 3.278 1.00 53.22 A ATOM 1224 C ILE 71 -5.508 10.004 5.763 1.00 11.44 A ATOM 1225 O ILE 71 -4.659 10.449 6.535 1.00 5.22 A ATOM 1226 N SER 72 -6.075 10.737 4.811 1.00 41.54 A ATOM 1227 HN SER 72 -6.746 10.326 4.227 1.00 60.34 A ATOM 1228 CA SER 72 -5.720 12.138 4.610 1.00 31.35 A ATOM 1229 HA SER 72 -4.665 12.183 4.385 1.00 11.30 A ATOM 1230 CB SER 72 -6.506 12.722 3.435 1.00 32.02 A ATOM 1231 HB1 SER 72 -7.514 12.943 3.755 1.00 54.33 A ATOM 1232 HB2 SER 72 -6.533 12.003 2.631 1.00 54.03 A ATOM 1233 OG SER 72 -5.905 13.915 2.962 1.00 63.41 A ATOM 1234 HG SER 72 -6.588 14.553 2.744 1.00 5.33 A ATOM 1235 C SER 72 -5.989 12.952 5.872 1.00 35.02 A ATOM 1236 O SER 72 -5.198 13.817 6.248 1.00 13.21 A ATOM 1237 N LYS 73 -7.113 12.669 6.523 1.00 62.31 A ATOM 1238 HN LYS 73 -7.704 11.968 6.174 1.00 45.12 A ATOM 1239 CA LYS 73 -7.489 13.372 7.743 1.00 3.25 A ATOM 1240 HA LYS 73 -7.597 14.419 7.503 1.00 21.02 A ATOM 1241 CB LYS 73 -8.823 12.842 8.272 1.00 74.31 A ATOM 1242 HB1 LYS 73 -9.159 13.482 9.075 1.00 51.22 A ATOM 1243 HB2 LYS 73 -8.673 11.844 8.658 1.00 52.22 A ATOM 1244 CG LYS 73 -9.916 12.786 7.218 1.00 1.11 A ATOM 1245 HG1 LYS 73 -10.824 12.416 7.673 1.00 2.33 A ATOM 1246 HG2 LYS 73 -9.609 12.117 6.429 1.00 65.44 A ATOM 1247 CD LYS 73 -10.186 14.157 6.622 1.00 41.40 A ATOM 1248 HD1 LYS 73 -10.844 14.047 5.772 1.00 41.45 A ATOM 1249 HD2 LYS 73 -9.251 14.592 6.302 1.00 64.25 A ATOM 1250 CE LYS 73 -10.838 15.087 7.634 1.00 25.14 A ATOM 1251 HE1 LYS 73 -11.006 16.046 7.167 1.00 61.33 A ATOM 1252 HE2 LYS 73 -10.170 15.208 8.474 1.00 51.43 A ATOM 1253 NZ LYS 73 -12.138 14.551 8.123 1.00 71.31 A ATOM 1254 HZ1 LYS 73 -12.769 15.333 8.390 1.00 10.21 A ATOM 1255 HZ2 LYS 73 -11.985 13.945 8.954 1.00 72.30 A ATOM 1256 HZ3 LYS 73 -12.596 13.989 7.377 1.00 11.21 A ATOM 1257 C LYS 73 -6.411 13.222 8.812 1.00 21.32 A ATOM 1258 O LYS 73 -6.169 14.139 9.598 1.00 61.11 A ATOM 1259 N LEU 74 -5.765 12.061 8.835 1.00 34.24 A ATOM 1260 HN LEU 74 -6.002 11.368 8.184 1.00 13.43 A ATOM 1261 CA LEU 74 -4.711 11.791 9.807 1.00 33.22 A ATOM 1262 HA LEU 74 -5.058 12.126 10.773 1.00 2.14 A ATOM 1263 CB LEU 74 -4.424 10.290 9.874 1.00 73.22 A ATOM 1264 HB1 LEU 74 -3.628 10.138 10.589 1.00 61.35 A ATOM 1265 HB2 LEU 74 -4.093 9.973 8.897 1.00 75.23 A ATOM 1266 CG LEU 74 -5.598 9.399 10.282 1.00 13.42 A ATOM 1267 HG LEU 74 -6.463 9.660 9.688 1.00 54.00 A ATOM 1268 CD1 LEU 74 -5.275 7.936 10.022 1.00 44.42 A ATOM 1269 HD11 LEU 74 -6.027 7.511 9.376 1.00 72.23 A ATOM 1270 HD12 LEU 74 -5.258 7.399 10.959 1.00 54.24 A ATOM 1271 HD13 LEU 74 -4.307 7.861 9.547 1.00 31.13 A ATOM 1272 CD2 LEU 74 -5.949 9.617 11.747 1.00 42.51 A ATOM 1273 HD21 LEU 74 -5.542 8.810 12.338 1.00 42.31 A ATOM 1274 HD22 LEU 74 -7.023 9.640 11.860 1.00 11.34 A ATOM 1275 HD23 LEU 74 -5.531 10.555 12.081 1.00 2.22 A ATOM 1276 C LEU 74 -3.436 12.549 9.452 1.00 32.31 A ATOM 1277 O LEU 74 -2.871 13.257 10.284 1.00 40.31 A ATOM 1278 N GLY 75 -2.989 12.396 8.209 1.00 33.31 A ATOM 1279 HN GLY 75 -3.481 11.818 7.589 1.00 73.13 A ATOM 1280 CA GLY 75 -1.785 13.073 7.765 1.00 53.31 A ATOM 1281 HA1 GLY 75 -1.635 13.952 8.375 1.00 24.22 A ATOM 1282 HA2 GLY 75 -1.916 13.379 6.738 1.00 44.14 A ATOM 1283 C GLY 75 -0.555 12.193 7.863 1.00 51.21 A ATOM 1284 O GLY 75 0.560 12.689 8.030 1.00 35.22 A ATOM 1285 N TYR 76 -0.756 10.884 7.760 1.00 15.34 A ATOM 1286 HN TYR 76 -1.668 10.549 7.628 1.00 42.43 A ATOM 1287 CA TYR 76 0.345 9.933 7.843 1.00 62.33 A ATOM 1288 HA TYR 76 1.101 10.355 8.489 1.00 51.23 A ATOM 1289 CB TYR 76 -0.138 8.612 8.443 1.00 32.50 A ATOM 1290 HB1 TYR 76 0.676 7.901 8.435 1.00 12.44 A ATOM 1291 HB2 TYR 76 -0.950 8.228 7.845 1.00 62.55 A ATOM 1292 CG TYR 76 -0.631 8.738 9.867 1.00 75.13 A ATOM 1293 CD1 TYR 76 0.021 9.559 10.778 1.00 23.34 A ATOM 1294 HD1 TYR 76 0.893 10.111 10.457 1.00 31.35 A ATOM 1295 CD2 TYR 76 -1.749 8.036 10.301 1.00 53.24 A ATOM 1296 HD2 TYR 76 -2.268 7.393 9.604 1.00 41.31 A ATOM 1297 CE1 TYR 76 -0.425 9.677 12.080 1.00 32.14 A ATOM 1298 HE1 TYR 76 0.095 10.320 12.775 1.00 43.03 A ATOM 1299 CE2 TYR 76 -2.204 8.149 11.600 1.00 3.41 A ATOM 1300 HE2 TYR 76 -3.075 7.596 11.918 1.00 10.13 A ATOM 1301 CZ TYR 76 -1.538 8.971 12.486 1.00 33.33 A ATOM 1302 OH TYR 76 -1.987 9.085 13.782 1.00 11.01 A ATOM 1303 HH TYR 76 -1.776 9.960 14.118 1.00 71.54 A ATOM 1304 C TYR 76 0.956 9.686 6.466 1.00 33.35 A ATOM 1305 O TYR 76 0.291 9.841 5.442 1.00 71.32 A ATOM 1306 N LYS 77 2.227 9.300 6.451 1.00 31.52 A ATOM 1307 HN LYS 77 2.704 9.193 7.301 1.00 3.43 A ATOM 1308 CA LYS 77 2.930 9.028 5.203 1.00 53.22 A ATOM 1309 HA LYS 77 2.682 9.814 4.505 1.00 23.13 A ATOM 1310 CB LYS 77 4.442 9.026 5.435 1.00 3.02 A ATOM 1311 HB1 LYS 77 4.889 8.265 4.811 1.00 1.33 A ATOM 1312 HB2 LYS 77 4.635 8.788 6.471 1.00 10.51 A ATOM 1313 CG LYS 77 5.108 10.354 5.118 1.00 23.23 A ATOM 1314 HG1 LYS 77 6.105 10.355 5.537 1.00 51.13 A ATOM 1315 HG2 LYS 77 4.530 11.151 5.560 1.00 14.24 A ATOM 1316 CD LYS 77 5.202 10.587 3.620 1.00 52.22 A ATOM 1317 HD1 LYS 77 5.628 11.565 3.442 1.00 21.54 A ATOM 1318 HD2 LYS 77 4.210 10.543 3.195 1.00 62.25 A ATOM 1319 CE LYS 77 6.072 9.538 2.946 1.00 65.04 A ATOM 1320 HE1 LYS 77 5.503 8.626 2.847 1.00 75.13 A ATOM 1321 HE2 LYS 77 6.938 9.356 3.564 1.00 70.11 A ATOM 1322 NZ LYS 77 6.524 9.976 1.596 1.00 43.10 A ATOM 1323 HZ1 LYS 77 7.448 9.552 1.373 1.00 34.15 A ATOM 1324 HZ2 LYS 77 6.616 11.012 1.569 1.00 70.55 A ATOM 1325 HZ3 LYS 77 5.836 9.680 0.875 1.00 51.31 A ATOM 1326 C LYS 77 2.494 7.691 4.612 1.00 14.15 A ATOM 1327 O LYS 77 2.928 6.631 5.063 1.00 33.11 A ATOM 1328 N VAL 78 1.634 7.748 3.600 1.00 15.45 A ATOM 1329 HN VAL 78 1.324 8.623 3.286 1.00 54.13 A ATOM 1330 CA VAL 78 1.141 6.542 2.947 1.00 71.14 A ATOM 1331 HA VAL 78 1.554 5.689 3.465 1.00 71.30 A ATOM 1332 CB VAL 78 -0.395 6.453 3.017 1.00 72.03 A ATOM 1333 HB VAL 78 -0.807 7.363 2.607 1.00 54.32 A ATOM 1334 CG1 VAL 78 -0.901 5.285 2.184 1.00 31.33 A ATOM 1335 HG11 VAL 78 -1.230 5.645 1.221 1.00 52.52 A ATOM 1336 HG12 VAL 78 -0.105 4.567 2.049 1.00 40.32 A ATOM 1337 HG13 VAL 78 -1.729 4.813 2.693 1.00 61.42 A ATOM 1338 CG2 VAL 78 -0.856 6.328 4.461 1.00 1.21 A ATOM 1339 HG21 VAL 78 -0.065 5.894 5.054 1.00 21.11 A ATOM 1340 HG22 VAL 78 -1.099 7.307 4.848 1.00 53.33 A ATOM 1341 HG23 VAL 78 -1.730 5.696 4.507 1.00 30.03 A ATOM 1342 C VAL 78 1.576 6.492 1.486 1.00 31.43 A ATOM 1343 O VAL 78 1.287 7.402 0.709 1.00 34.14 A ATOM 1344 N PHE 79 2.273 5.421 1.119 1.00 55.32 A ATOM 1345 HN PHE 79 2.472 4.729 1.784 1.00 52.11 A ATOM 1346 CA PHE 79 2.749 5.252 -0.249 1.00 75.31 A ATOM 1347 HA PHE 79 2.808 6.229 -0.702 1.00 52.21 A ATOM 1348 CB PHE 79 4.140 4.616 -0.252 1.00 61.42 A ATOM 1349 HB1 PHE 79 4.555 4.681 -1.246 1.00 64.15 A ATOM 1350 HB2 PHE 79 4.054 3.577 0.030 1.00 1.12 A ATOM 1351 CG PHE 79 5.102 5.273 0.696 1.00 33.21 A ATOM 1352 CD1 PHE 79 6.017 6.207 0.238 1.00 22.24 A ATOM 1353 HD1 PHE 79 6.035 6.461 -0.811 1.00 44.31 A ATOM 1354 CD2 PHE 79 5.090 4.957 2.045 1.00 11.11 A ATOM 1355 HD2 PHE 79 4.380 4.230 2.413 1.00 32.30 A ATOM 1356 CE1 PHE 79 6.904 6.812 1.109 1.00 54.41 A ATOM 1357 HE1 PHE 79 7.612 7.539 0.740 1.00 51.21 A ATOM 1358 CE2 PHE 79 5.974 5.560 2.920 1.00 33.24 A ATOM 1359 HE2 PHE 79 5.953 5.305 3.970 1.00 61.24 A ATOM 1360 CZ PHE 79 6.881 6.489 2.452 1.00 41.43 A ATOM 1361 HZ PHE 79 7.573 6.961 3.134 1.00 72.14 A ATOM 1362 C PHE 79 1.782 4.392 -1.059 1.00 21.24 A ATOM 1363 O PHE 79 1.556 3.224 -0.740 1.00 31.23 A ATOM 1364 N LEU 80 1.214 4.978 -2.107 1.00 24.21 A ATOM 1365 HN LEU 80 1.434 5.910 -2.311 1.00 11.51 A ATOM 1366 CA LEU 80 0.271 4.267 -2.963 1.00 63.21 A ATOM 1367 HA LEU 80 -0.315 3.611 -2.337 1.00 62.30 A ATOM 1368 CB LEU 80 -0.663 5.258 -3.659 1.00 71.22 A ATOM 1369 HB1 LEU 80 -0.061 5.881 -4.305 1.00 40.01 A ATOM 1370 HB2 LEU 80 -1.122 5.870 -2.898 1.00 72.31 A ATOM 1371 CG LEU 80 -1.780 4.646 -4.505 1.00 54.12 A ATOM 1372 HG LEU 80 -1.341 4.073 -5.310 1.00 52.24 A ATOM 1373 CD1 LEU 80 -2.629 3.702 -3.667 1.00 42.31 A ATOM 1374 HD11 LEU 80 -2.400 3.845 -2.622 1.00 15.31 A ATOM 1375 HD12 LEU 80 -2.414 2.681 -3.946 1.00 41.43 A ATOM 1376 HD13 LEU 80 -3.675 3.910 -3.840 1.00 22.44 A ATOM 1377 CD2 LEU 80 -2.643 5.739 -5.119 1.00 74.35 A ATOM 1378 HD21 LEU 80 -3.033 5.398 -6.068 1.00 11.45 A ATOM 1379 HD22 LEU 80 -2.046 6.625 -5.274 1.00 5.44 A ATOM 1380 HD23 LEU 80 -3.463 5.967 -4.454 1.00 45.11 A ATOM 1381 C LEU 80 1.006 3.427 -4.003 1.00 23.01 A ATOM 1382 O LEU 80 1.996 3.870 -4.587 1.00 61.33 A ATOM 1383 N LEU 81 0.515 2.214 -4.231 1.00 11.03 A ATOM 1384 HN LEU 81 -0.276 1.917 -3.734 1.00 63.04 A ATOM 1385 CA LEU 81 1.123 1.312 -5.202 1.00 44.05 A ATOM 1386 HA LEU 81 1.646 1.914 -5.931 1.00 22.22 A ATOM 1387 CB LEU 81 2.124 0.385 -4.510 1.00 45.34 A ATOM 1388 HB1 LEU 81 1.609 -0.112 -3.701 1.00 11.42 A ATOM 1389 HB2 LEU 81 2.917 0.997 -4.108 1.00 23.31 A ATOM 1390 CG LEU 81 2.763 -0.690 -5.390 1.00 42.24 A ATOM 1391 HG LEU 81 1.984 -1.226 -5.915 1.00 44.02 A ATOM 1392 CD1 LEU 81 3.677 -0.057 -6.428 1.00 41.31 A ATOM 1393 HD11 LEU 81 4.617 -0.587 -6.451 1.00 41.21 A ATOM 1394 HD12 LEU 81 3.853 0.977 -6.170 1.00 11.21 A ATOM 1395 HD13 LEU 81 3.209 -0.110 -7.400 1.00 51.12 A ATOM 1396 CD2 LEU 81 3.532 -1.689 -4.538 1.00 42.14 A ATOM 1397 HD21 LEU 81 4.199 -2.260 -5.168 1.00 1.33 A ATOM 1398 HD22 LEU 81 2.837 -2.357 -4.052 1.00 33.33 A ATOM 1399 HD23 LEU 81 4.106 -1.159 -3.792 1.00 72.43 A ATOM 1400 C LEU 81 0.060 0.486 -5.919 1.00 40.23 A ATOM 1401 O LEU 81 -0.599 -0.359 -5.312 1.00 63.21 A ATOM 1402 N LEU 82 -0.101 0.735 -7.214 1.00 71.32 A ATOM 1403 HN LEU 82 0.453 1.420 -7.643 1.00 31.33 A ATOM 1404 CA LEU 82 -1.083 0.012 -8.016 1.00 11.45 A ATOM 1405 HA LEU 82 -1.738 -0.517 -7.339 1.00 65.12 A ATOM 1406 CB LEU 82 -1.913 0.993 -8.847 1.00 24.33 A ATOM 1407 HB1 LEU 82 -2.473 0.419 -9.571 1.00 34.11 A ATOM 1408 HB2 LEU 82 -1.229 1.649 -9.363 1.00 12.55 A ATOM 1409 CG LEU 82 -2.901 1.863 -8.069 1.00 72.45 A ATOM 1410 HG LEU 82 -2.498 2.063 -7.086 1.00 55.42 A ATOM 1411 CD1 LEU 82 -3.107 3.195 -8.773 1.00 1.34 A ATOM 1412 HD11 LEU 82 -2.266 3.842 -8.572 1.00 62.52 A ATOM 1413 HD12 LEU 82 -4.012 3.659 -8.408 1.00 62.42 A ATOM 1414 HD13 LEU 82 -3.190 3.031 -9.837 1.00 54.51 A ATOM 1415 CD2 LEU 82 -4.228 1.138 -7.897 1.00 52.11 A ATOM 1416 HD21 LEU 82 -4.172 0.168 -8.369 1.00 51.32 A ATOM 1417 HD22 LEU 82 -5.017 1.717 -8.356 1.00 65.25 A ATOM 1418 HD23 LEU 82 -4.437 1.015 -6.845 1.00 11.21 A ATOM 1419 C LEU 82 -0.401 -0.998 -8.932 1.00 20.43 A ATOM 1420 O LEU 82 0.670 -0.732 -9.476 1.00 23.32 A ATOM 1421 N GLN 83 -1.030 -2.157 -9.099 1.00 34.14 A ATOM 1422 HN GLN 83 -1.881 -2.310 -8.638 1.00 11.40 A ATOM 1423 CA GLN 83 -0.484 -3.207 -9.950 1.00 51.15 A ATOM 1424 HA GLN 83 0.434 -2.839 -10.382 1.00 40.34 A ATOM 1425 CB GLN 83 -0.178 -4.457 -9.123 1.00 52.42 A ATOM 1426 HB1 GLN 83 -1.106 -4.859 -8.745 1.00 32.31 A ATOM 1427 HB2 GLN 83 0.450 -4.178 -8.290 1.00 50.25 A ATOM 1428 CG GLN 83 0.529 -5.549 -9.910 1.00 11.34 A ATOM 1429 HG1 GLN 83 1.595 -5.399 -9.829 1.00 44.34 A ATOM 1430 HG2 GLN 83 0.233 -5.477 -10.946 1.00 24.42 A ATOM 1431 CD GLN 83 0.195 -6.939 -9.407 1.00 22.35 A ATOM 1432 OE1 GLN 83 -0.282 -7.108 -8.284 1.00 71.11 A ATOM 1433 NE2 GLN 83 0.445 -7.945 -10.237 1.00 21.23 A ATOM 1434 HE21 GLN 83 0.827 -7.736 -11.115 1.00 41.32 A ATOM 1435 HE22 GLN 83 0.240 -8.854 -9.937 1.00 71.41 A ATOM 1436 C GLN 83 -1.452 -3.553 -11.077 1.00 14.31 A ATOM 1437 O GLN 83 -2.475 -4.201 -10.853 1.00 25.42 A ATOM 1438 N ASP 84 -1.124 -3.115 -12.288 1.00 31.35 A ATOM 1439 HN ASP 84 -0.296 -2.603 -12.402 1.00 71.25 A ATOM 1440 CA ASP 84 -1.965 -3.379 -13.450 1.00 25.22 A ATOM 1441 HA ASP 84 -2.599 -4.221 -13.216 1.00 42.11 A ATOM 1442 CB ASP 84 -2.843 -2.165 -13.757 1.00 22.31 A ATOM 1443 HB1 ASP 84 -2.304 -1.495 -14.411 1.00 22.54 A ATOM 1444 HB2 ASP 84 -3.073 -1.653 -12.834 1.00 75.10 A ATOM 1445 CG ASP 84 -4.146 -2.549 -14.430 1.00 42.02 A ATOM 1446 OD1 ASP 84 -4.847 -1.642 -14.925 1.00 62.02 A ATOM 1447 OD2 ASP 84 -4.465 -3.756 -14.461 1.00 60.14 A ATOM 1448 C ASP 84 -1.114 -3.729 -14.667 1.00 52.52 A ATOM 1449 O ASP 84 -0.033 -3.173 -14.861 1.00 14.45 A ATOM 1450 N GLN 85 -1.610 -4.653 -15.483 1.00 62.12 A ATOM 1451 HN GLN 85 -2.476 -5.060 -15.275 1.00 52.51 A ATOM 1452 CA GLN 85 -0.894 -5.077 -16.681 1.00 20.44 A ATOM 1453 HA GLN 85 0.124 -5.297 -16.398 1.00 3.25 A ATOM 1454 CB GLN 85 -1.532 -6.341 -17.261 1.00 2.11 A ATOM 1455 HB1 GLN 85 -1.301 -7.175 -16.615 1.00 62.33 A ATOM 1456 HB2 GLN 85 -1.112 -6.525 -18.238 1.00 70.34 A ATOM 1457 CG GLN 85 -3.043 -6.251 -17.400 1.00 1.21 A ATOM 1458 HG1 GLN 85 -3.311 -5.227 -17.618 1.00 22.51 A ATOM 1459 HG2 GLN 85 -3.496 -6.549 -16.466 1.00 70.11 A ATOM 1460 CD GLN 85 -3.581 -7.139 -18.504 1.00 34.21 A ATOM 1461 OE1 GLN 85 -2.844 -7.925 -19.099 1.00 70.51 A ATOM 1462 NE2 GLN 85 -4.874 -7.019 -18.784 1.00 1.24 A ATOM 1463 HE21 GLN 85 -5.400 -6.371 -18.269 1.00 1.40 A ATOM 1464 HE22 GLN 85 -5.248 -7.580 -19.493 1.00 73.10 A ATOM 1465 C GLN 85 -0.884 -3.971 -17.730 1.00 11.42 A ATOM 1466 O GLN 85 0.068 -3.839 -18.499 1.00 5.05 A ATOM 1467 N ASP 86 -1.950 -3.178 -17.756 1.00 3.30 A ATOM 1468 HN ASP 86 -2.677 -3.333 -17.117 1.00 61.22 A ATOM 1469 CA ASP 86 -2.064 -2.081 -18.711 1.00 24.33 A ATOM 1470 HA ASP 86 -1.434 -2.311 -19.557 1.00 23.34 A ATOM 1471 CB ASP 86 -3.509 -1.943 -19.191 1.00 12.34 A ATOM 1472 HB1 ASP 86 -3.698 -0.912 -19.451 1.00 1.42 A ATOM 1473 HB2 ASP 86 -4.176 -2.236 -18.393 1.00 72.51 A ATOM 1474 CG ASP 86 -3.802 -2.806 -20.402 1.00 52.42 A ATOM 1475 OD1 ASP 86 -4.007 -2.241 -21.497 1.00 5.22 A ATOM 1476 OD2 ASP 86 -3.828 -4.046 -20.256 1.00 10.25 A ATOM 1477 C ASP 86 -1.593 -0.770 -18.090 1.00 45.54 A ATOM 1478 O ASP 86 -2.084 -0.357 -17.041 1.00 34.14 A ATOM 1479 N GLU 87 -0.636 -0.120 -18.747 1.00 32.11 A ATOM 1480 HN GLU 87 -0.284 -0.500 -19.579 1.00 13.11 A ATOM 1481 CA GLU 87 -0.098 1.144 -18.258 1.00 20.21 A ATOM 1482 HA GLU 87 -0.060 1.093 -17.180 1.00 41.33 A ATOM 1483 CB GLU 87 1.318 1.363 -18.795 1.00 72.24 A ATOM 1484 HB1 GLU 87 1.774 2.176 -18.251 1.00 42.42 A ATOM 1485 HB2 GLU 87 1.256 1.631 -19.840 1.00 21.41 A ATOM 1486 CG GLU 87 2.213 0.142 -18.667 1.00 22.10 A ATOM 1487 HG1 GLU 87 2.007 -0.528 -19.489 1.00 31.13 A ATOM 1488 HG2 GLU 87 1.991 -0.355 -17.735 1.00 21.24 A ATOM 1489 CD GLU 87 3.688 0.495 -18.688 1.00 13.04 A ATOM 1490 OE1 GLU 87 4.247 0.769 -17.605 1.00 14.31 A ATOM 1491 OE2 GLU 87 4.282 0.498 -19.786 1.00 25.55 A ATOM 1492 C GLU 87 -0.994 2.310 -18.664 1.00 50.31 A ATOM 1493 O GLU 87 -0.866 3.416 -18.141 1.00 15.25 A ATOM 1494 N ASN 88 -1.900 2.054 -19.602 1.00 34.12 A ATOM 1495 HN ASN 88 -1.954 1.152 -19.982 1.00 2.13 A ATOM 1496 CA ASN 88 -2.817 3.082 -20.080 1.00 14.31 A ATOM 1497 HA ASN 88 -2.255 3.996 -20.204 1.00 35.33 A ATOM 1498 CB ASN 88 -3.412 2.677 -21.430 1.00 60.02 A ATOM 1499 HB1 ASN 88 -4.444 2.993 -21.472 1.00 65.53 A ATOM 1500 HB2 ASN 88 -3.364 1.602 -21.530 1.00 1.32 A ATOM 1501 CG ASN 88 -2.671 3.299 -22.598 1.00 71.12 A ATOM 1502 OD1 ASN 88 -1.502 2.997 -22.838 1.00 21.13 A ATOM 1503 ND2 ASN 88 -3.350 4.173 -23.332 1.00 14.04 A ATOM 1504 HD21 ASN 88 -4.279 4.365 -23.082 1.00 4.23 A ATOM 1505 HD22 ASN 88 -2.896 4.590 -24.093 1.00 61.32 A ATOM 1506 C ASN 88 -3.936 3.325 -19.071 1.00 51.14 A ATOM 1507 O ASN 88 -4.160 4.455 -18.639 1.00 52.11 A ATOM 1508 N GLU 89 -4.634 2.256 -18.701 1.00 71.12 A ATOM 1509 HN GLU 89 -4.408 1.382 -19.081 1.00 64.41 A ATOM 1510 CA GLU 89 -5.730 2.354 -17.744 1.00 25.34 A ATOM 1511 HA GLU 89 -6.359 3.178 -18.043 1.00 2.13 A ATOM 1512 CB GLU 89 -6.559 1.068 -17.750 1.00 64.35 A ATOM 1513 HB1 GLU 89 -7.438 1.218 -17.141 1.00 64.40 A ATOM 1514 HB2 GLU 89 -5.968 0.270 -17.324 1.00 0.42 A ATOM 1515 CG GLU 89 -7.008 0.640 -19.138 1.00 3.43 A ATOM 1516 HG1 GLU 89 -7.596 -0.261 -19.050 1.00 13.01 A ATOM 1517 HG2 GLU 89 -6.134 0.441 -19.740 1.00 22.24 A ATOM 1518 CD GLU 89 -7.842 1.699 -19.833 1.00 31.24 A ATOM 1519 OE1 GLU 89 -9.084 1.654 -19.707 1.00 24.35 A ATOM 1520 OE2 GLU 89 -7.253 2.573 -20.502 1.00 63.34 A ATOM 1521 C GLU 89 -5.201 2.623 -16.338 1.00 2.42 A ATOM 1522 O GLU 89 -5.889 3.218 -15.507 1.00 5.40 A ATOM 1523 N LEU 90 -3.975 2.181 -16.078 1.00 53.33 A ATOM 1524 HN LEU 90 -3.476 1.714 -16.780 1.00 53.41 A ATOM 1525 CA LEU 90 -3.353 2.374 -14.773 1.00 21.10 A ATOM 1526 HA LEU 90 -4.064 2.070 -14.019 1.00 64.41 A ATOM 1527 CB LEU 90 -2.097 1.509 -14.652 1.00 70.13 A ATOM 1528 HB1 LEU 90 -1.607 1.502 -15.616 1.00 13.12 A ATOM 1529 HB2 LEU 90 -2.409 0.507 -14.402 1.00 62.54 A ATOM 1530 CG LEU 90 -1.073 1.955 -13.608 1.00 62.30 A ATOM 1531 HG LEU 90 -0.634 2.892 -13.921 1.00 1.22 A ATOM 1532 CD1 LEU 90 -1.745 2.178 -12.262 1.00 71.13 A ATOM 1533 HD11 LEU 90 -2.760 1.814 -12.302 1.00 74.44 A ATOM 1534 HD12 LEU 90 -1.750 3.233 -12.033 1.00 41.20 A ATOM 1535 HD13 LEU 90 -1.201 1.646 -11.496 1.00 20.14 A ATOM 1536 CD2 LEU 90 0.044 0.929 -13.485 1.00 21.44 A ATOM 1537 HD21 LEU 90 0.457 0.965 -12.487 1.00 45.45 A ATOM 1538 HD22 LEU 90 0.819 1.152 -14.204 1.00 20.12 A ATOM 1539 HD23 LEU 90 -0.351 -0.058 -13.675 1.00 21.12 A ATOM 1540 C LEU 90 -2.997 3.840 -14.550 1.00 55.42 A ATOM 1541 O LEU 90 -3.195 4.378 -13.461 1.00 24.41 A ATOM 1542 N GLU 91 -2.475 4.482 -15.591 1.00 3.05 A ATOM 1543 HN GLU 91 -2.342 3.999 -16.433 1.00 2.22 A ATOM 1544 CA GLU 91 -2.094 5.887 -15.508 1.00 5.13 A ATOM 1545 HA GLU 91 -1.365 5.987 -14.718 1.00 25.11 A ATOM 1546 CB GLU 91 -1.465 6.346 -16.825 1.00 10.50 A ATOM 1547 HB1 GLU 91 -2.255 6.605 -17.515 1.00 65.22 A ATOM 1548 HB2 GLU 91 -0.890 5.532 -17.239 1.00 61.52 A ATOM 1549 CG GLU 91 -0.550 7.550 -16.676 1.00 2.15 A ATOM 1550 HG1 GLU 91 0.249 7.297 -15.994 1.00 33.33 A ATOM 1551 HG2 GLU 91 -1.120 8.372 -16.270 1.00 14.11 A ATOM 1552 CD GLU 91 0.059 7.988 -17.994 1.00 33.42 A ATOM 1553 OE1 GLU 91 -0.619 8.720 -18.745 1.00 61.01 A ATOM 1554 OE2 GLU 91 1.211 7.598 -18.274 1.00 63.23 A ATOM 1555 C GLU 91 -3.301 6.760 -15.176 1.00 23.41 A ATOM 1556 O GLU 91 -3.278 7.528 -14.215 1.00 32.42 A ATOM 1557 N GLU 92 -4.352 6.635 -15.979 1.00 74.13 A ATOM 1558 HN GLU 92 -4.310 6.006 -16.729 1.00 63.52 A ATOM 1559 CA GLU 92 -5.568 7.413 -15.772 1.00 0.13 A ATOM 1560 HA GLU 92 -5.381 8.419 -16.116 1.00 24.02 A ATOM 1561 CB GLU 92 -6.724 6.819 -16.579 1.00 14.23 A ATOM 1562 HB1 GLU 92 -7.657 7.130 -16.130 1.00 64.51 A ATOM 1563 HB2 GLU 92 -6.658 5.742 -16.540 1.00 74.15 A ATOM 1564 CG GLU 92 -6.732 7.246 -18.037 1.00 4.42 A ATOM 1565 HG1 GLU 92 -7.386 6.588 -18.588 1.00 71.45 A ATOM 1566 HG2 GLU 92 -5.728 7.165 -18.428 1.00 34.14 A ATOM 1567 CD GLU 92 -7.209 8.673 -18.224 1.00 53.34 A ATOM 1568 OE1 GLU 92 -8.190 9.064 -17.557 1.00 71.35 A ATOM 1569 OE2 GLU 92 -6.601 9.400 -19.039 1.00 34.55 A ATOM 1570 C GLU 92 -5.938 7.460 -14.292 1.00 5.51 A ATOM 1571 O GLU 92 -5.976 8.530 -13.684 1.00 51.51 A ATOM 1572 N PHE 93 -6.209 6.293 -13.718 1.00 73.13 A ATOM 1573 HN PHE 93 -6.162 5.474 -14.255 1.00 64.03 A ATOM 1574 CA PHE 93 -6.578 6.200 -12.310 1.00 45.14 A ATOM 1575 HA PHE 93 -7.468 6.791 -12.162 1.00 1.21 A ATOM 1576 CB PHE 93 -6.875 4.747 -11.934 1.00 13.21 A ATOM 1577 HB1 PHE 93 -5.993 4.150 -12.108 1.00 0.14 A ATOM 1578 HB2 PHE 93 -7.681 4.380 -12.552 1.00 42.51 A ATOM 1579 CG PHE 93 -7.279 4.571 -10.498 1.00 74.21 A ATOM 1580 CD1 PHE 93 -8.512 5.018 -10.052 1.00 15.22 A ATOM 1581 HD1 PHE 93 -9.186 5.498 -10.747 1.00 20.32 A ATOM 1582 CD2 PHE 93 -6.427 3.957 -9.595 1.00 4.10 A ATOM 1583 HD2 PHE 93 -5.462 3.604 -9.932 1.00 50.15 A ATOM 1584 CE1 PHE 93 -8.886 4.858 -8.731 1.00 33.31 A ATOM 1585 HE1 PHE 93 -9.850 5.210 -8.395 1.00 53.35 A ATOM 1586 CE2 PHE 93 -6.795 3.793 -8.273 1.00 11.41 A ATOM 1587 HE2 PHE 93 -6.121 3.313 -7.580 1.00 22.32 A ATOM 1588 CZ PHE 93 -8.027 4.244 -7.841 1.00 32.53 A ATOM 1589 HZ PHE 93 -8.317 4.117 -6.808 1.00 41.32 A ATOM 1590 C PHE 93 -5.467 6.751 -11.420 1.00 71.44 A ATOM 1591 O PHE 93 -5.725 7.269 -10.334 1.00 35.11 A ATOM 1592 N LYS 94 -4.229 6.634 -11.889 1.00 31.33 A ATOM 1593 HN LYS 94 -4.087 6.211 -12.762 1.00 64.00 A ATOM 1594 CA LYS 94 -3.077 7.119 -11.138 1.00 15.32 A ATOM 1595 HA LYS 94 -3.110 6.673 -10.156 1.00 24.24 A ATOM 1596 CB LYS 94 -1.778 6.704 -11.832 1.00 13.12 A ATOM 1597 HB1 LYS 94 -1.651 7.306 -12.720 1.00 64.12 A ATOM 1598 HB2 LYS 94 -1.854 5.666 -12.119 1.00 25.41 A ATOM 1599 CG LYS 94 -0.544 6.870 -10.962 1.00 51.52 A ATOM 1600 HG1 LYS 94 0.173 6.105 -11.221 1.00 63.30 A ATOM 1601 HG2 LYS 94 -0.828 6.764 -9.926 1.00 10.53 A ATOM 1602 CD LYS 94 0.097 8.234 -11.159 1.00 11.01 A ATOM 1603 HD1 LYS 94 0.660 8.489 -10.272 1.00 61.31 A ATOM 1604 HD2 LYS 94 -0.679 8.968 -11.317 1.00 73.13 A ATOM 1605 CE LYS 94 1.032 8.242 -12.358 1.00 43.32 A ATOM 1606 HE1 LYS 94 1.039 9.234 -12.786 1.00 2.12 A ATOM 1607 HE2 LYS 94 0.666 7.538 -13.089 1.00 54.22 A ATOM 1608 NZ LYS 94 2.423 7.868 -11.980 1.00 21.05 A ATOM 1609 HZ1 LYS 94 2.585 6.858 -12.168 1.00 72.03 A ATOM 1610 HZ2 LYS 94 2.579 8.049 -10.967 1.00 73.15 A ATOM 1611 HZ3 LYS 94 3.106 8.426 -12.530 1.00 1.42 A ATOM 1612 C LYS 94 -3.125 8.637 -10.990 1.00 22.30 A ATOM 1613 O LYS 94 -3.089 9.163 -9.878 1.00 23.25 A ATOM 1614 N ARG 95 -3.207 9.334 -12.118 1.00 51.32 A ATOM 1615 HN ARG 95 -3.232 8.858 -12.974 1.00 52.04 A ATOM 1616 CA ARG 95 -3.260 10.791 -12.113 1.00 42.35 A ATOM 1617 HA ARG 95 -2.294 11.157 -11.797 1.00 55.22 A ATOM 1618 CB ARG 95 -3.555 11.317 -13.520 1.00 23.34 A ATOM 1619 HB1 ARG 95 -3.382 12.382 -13.536 1.00 44.21 A ATOM 1620 HB2 ARG 95 -4.592 11.125 -13.753 1.00 63.21 A ATOM 1621 CG ARG 95 -2.698 10.678 -14.601 1.00 0.15 A ATOM 1622 HG1 ARG 95 -2.839 11.219 -15.524 1.00 45.24 A ATOM 1623 HG2 ARG 95 -3.006 9.651 -14.732 1.00 13.43 A ATOM 1624 CD ARG 95 -1.223 10.705 -14.231 1.00 32.44 A ATOM 1625 HD1 ARG 95 -0.660 10.222 -15.016 1.00 14.32 A ATOM 1626 HD2 ARG 95 -1.088 10.163 -13.306 1.00 42.13 A ATOM 1627 NE ARG 95 -0.726 12.067 -14.059 1.00 14.14 A ATOM 1628 HE ARG 95 -1.382 12.768 -13.865 1.00 54.32 A ATOM 1629 CZ ARG 95 0.557 12.398 -14.150 1.00 13.51 A ATOM 1630 NH1 ARG 95 1.467 11.471 -14.411 1.00 25.24 A ATOM 1631 HH11 ARG 95 1.188 10.520 -14.539 1.00 62.54 A ATOM 1632 HH12 ARG 95 2.433 11.723 -14.480 1.00 51.20 A ATOM 1633 NH2 ARG 95 0.931 13.660 -13.981 1.00 10.22 A ATOM 1634 HH21 ARG 95 0.247 14.362 -13.784 1.00 42.34 A ATOM 1635 HH22 ARG 95 1.897 13.909 -14.050 1.00 33.44 A ATOM 1636 C ARG 95 -4.320 11.294 -11.138 1.00 73.22 A ATOM 1637 O ARG 95 -4.129 12.305 -10.463 1.00 1.15 A ATOM 1638 N LYS 96 -5.440 10.581 -11.071 1.00 4.04 A ATOM 1639 HN LYS 96 -5.533 9.784 -11.634 1.00 54.25 A ATOM 1640 CA LYS 96 -6.531 10.953 -10.178 1.00 72.23 A ATOM 1641 HA LYS 96 -6.905 11.915 -10.494 1.00 70.13 A ATOM 1642 CB LYS 96 -7.662 9.925 -10.267 1.00 1.34 A ATOM 1643 HB1 LYS 96 -8.136 9.845 -9.299 1.00 1.52 A ATOM 1644 HB2 LYS 96 -7.241 8.967 -10.532 1.00 30.43 A ATOM 1645 CG LYS 96 -8.726 10.279 -11.291 1.00 33.31 A ATOM 1646 HG1 LYS 96 -8.971 11.327 -11.195 1.00 42.22 A ATOM 1647 HG2 LYS 96 -9.607 9.683 -11.102 1.00 12.44 A ATOM 1648 CD LYS 96 -8.248 10.011 -12.708 1.00 25.12 A ATOM 1649 HD1 LYS 96 -8.269 8.946 -12.890 1.00 62.34 A ATOM 1650 HD2 LYS 96 -7.236 10.375 -12.812 1.00 54.41 A ATOM 1651 CE LYS 96 -9.128 10.706 -13.735 1.00 13.34 A ATOM 1652 HE1 LYS 96 -9.029 11.775 -13.610 1.00 64.52 A ATOM 1653 HE2 LYS 96 -10.154 10.419 -13.563 1.00 72.55 A ATOM 1654 NZ LYS 96 -8.749 10.343 -15.128 1.00 23.01 A ATOM 1655 HZ1 LYS 96 -9.602 10.210 -15.707 1.00 53.23 A ATOM 1656 HZ2 LYS 96 -8.201 9.459 -15.130 1.00 74.22 A ATOM 1657 HZ3 LYS 96 -8.170 11.097 -15.549 1.00 53.43 A ATOM 1658 C LYS 96 -6.043 11.064 -8.738 1.00 25.13 A ATOM 1659 O LYS 96 -6.416 11.989 -8.015 1.00 72.35 A ATOM 1660 N ILE 97 -5.205 10.118 -8.327 1.00 71.51 A ATOM 1661 HN ILE 97 -4.945 9.407 -8.949 1.00 64.01 A ATOM 1662 CA ILE 97 -4.664 10.112 -6.974 1.00 21.23 A ATOM 1663 HA ILE 97 -5.387 10.584 -6.324 1.00 21.20 A ATOM 1664 CB ILE 97 -4.423 8.676 -6.470 1.00 15.54 A ATOM 1665 HB ILE 97 -3.688 8.213 -7.109 1.00 75.53 A ATOM 1666 CG1 ILE 97 -5.721 7.868 -6.529 1.00 61.44 A ATOM 1667 HG11 ILE 97 -6.186 8.018 -7.493 1.00 1.30 A ATOM 1668 HG12 ILE 97 -6.388 8.211 -5.755 1.00 53.52 A ATOM 1669 CG2 ILE 97 -3.871 8.698 -5.052 1.00 54.51 A ATOM 1670 HG21 ILE 97 -4.247 7.846 -4.506 1.00 74.33 A ATOM 1671 HG22 ILE 97 -2.793 8.656 -5.086 1.00 11.24 A ATOM 1672 HG23 ILE 97 -4.182 9.607 -4.559 1.00 4.13 A ATOM 1673 CD1 ILE 97 -5.515 6.381 -6.339 1.00 15.12 A ATOM 1674 HD11 ILE 97 -6.424 5.856 -6.593 1.00 53.12 A ATOM 1675 HD12 ILE 97 -4.713 6.043 -6.977 1.00 3.35 A ATOM 1676 HD13 ILE 97 -5.263 6.182 -5.307 1.00 11.21 A ATOM 1677 C ILE 97 -3.354 10.890 -6.902 1.00 34.20 A ATOM 1678 O ILE 97 -2.914 11.283 -5.823 1.00 4.14 A ATOM 1679 N GLU 98 -2.739 11.109 -8.060 1.00 4.45 A ATOM 1680 HN GLU 98 -3.140 10.771 -8.887 1.00 20.43 A ATOM 1681 CA GLU 98 -1.480 11.842 -8.127 1.00 64.13 A ATOM 1682 HA GLU 98 -0.772 11.346 -7.480 1.00 71.13 A ATOM 1683 CB GLU 98 -0.936 11.834 -9.557 1.00 64.24 A ATOM 1684 HB1 GLU 98 -1.439 12.602 -10.125 1.00 54.22 A ATOM 1685 HB2 GLU 98 -1.145 10.873 -10.004 1.00 54.22 A ATOM 1686 CG GLU 98 0.561 12.083 -9.641 1.00 11.42 A ATOM 1687 HG1 GLU 98 1.075 11.135 -9.589 1.00 74.34 A ATOM 1688 HG2 GLU 98 0.858 12.698 -8.804 1.00 73.30 A ATOM 1689 CD GLU 98 0.965 12.785 -10.923 1.00 72.31 A ATOM 1690 OE1 GLU 98 1.908 12.308 -11.589 1.00 14.41 A ATOM 1691 OE2 GLU 98 0.337 13.810 -11.261 1.00 1.44 A ATOM 1692 C GLU 98 -1.660 13.279 -7.648 1.00 51.52 A ATOM 1693 O GLU 98 -0.732 13.889 -7.116 1.00 34.33 A ATOM 1694 N SER 99 -2.861 13.815 -7.842 1.00 41.43 A ATOM 1695 HN SER 99 -3.560 13.279 -8.272 1.00 65.14 A ATOM 1696 CA SER 99 -3.163 15.182 -7.435 1.00 2.55 A ATOM 1697 HA SER 99 -2.369 15.819 -7.796 1.00 11.10 A ATOM 1698 CB SER 99 -4.487 15.640 -8.049 1.00 70.22 A ATOM 1699 HB1 SER 99 -5.305 15.296 -7.433 1.00 23.35 A ATOM 1700 HB2 SER 99 -4.584 15.223 -9.040 1.00 42.33 A ATOM 1701 OG SER 99 -4.546 17.053 -8.140 1.00 32.32 A ATOM 1702 HG SER 99 -4.214 17.440 -7.327 1.00 2.12 A ATOM 1703 C SER 99 -3.229 15.294 -5.914 1.00 74.24 A ATOM 1704 O SER 99 -3.029 16.370 -5.352 1.00 20.35 A ATOM 1705 N GLN 100 -3.512 14.174 -5.257 1.00 74.22 A ATOM 1706 HN GLN 100 -3.662 13.348 -5.762 1.00 41.01 A ATOM 1707 CA GLN 100 -3.606 14.145 -3.802 1.00 54.34 A ATOM 1708 HA GLN 100 -4.339 14.879 -3.503 1.00 75.13 A ATOM 1709 CB GLN 100 -4.062 12.765 -3.327 1.00 30.34 A ATOM 1710 HB1 GLN 100 -4.188 12.790 -2.254 1.00 40.23 A ATOM 1711 HB2 GLN 100 -3.299 12.042 -3.574 1.00 73.24 A ATOM 1712 CG GLN 100 -5.372 12.308 -3.949 1.00 2.51 A ATOM 1713 HG1 GLN 100 -5.402 11.229 -3.942 1.00 64.12 A ATOM 1714 HG2 GLN 100 -5.414 12.662 -4.968 1.00 41.24 A ATOM 1715 CD GLN 100 -6.585 12.832 -3.205 1.00 42.13 A ATOM 1716 OE1 GLN 100 -6.749 14.040 -3.034 1.00 43.44 A ATOM 1717 NE2 GLN 100 -7.443 11.923 -2.758 1.00 54.04 A ATOM 1718 HE21 GLN 100 -7.247 10.978 -2.930 1.00 73.25 A ATOM 1719 HE22 GLN 100 -8.236 12.233 -2.274 1.00 5.32 A ATOM 1720 C GLN 100 -2.268 14.500 -3.163 1.00 42.14 A ATOM 1721 O GLN 100 -2.195 15.361 -2.288 1.00 15.14 A ATOM 1722 N GLY 101 -1.209 13.830 -3.608 1.00 20.32 A ATOM 1723 HN GLY 101 -1.327 13.154 -4.308 1.00 64.11 A ATOM 1724 CA GLY 101 0.113 14.088 -3.068 1.00 10.23 A ATOM 1725 HA1 GLY 101 0.020 14.758 -2.225 1.00 64.22 A ATOM 1726 HA2 GLY 101 0.714 14.564 -3.828 1.00 71.13 A ATOM 1727 C GLY 101 0.811 12.822 -2.611 1.00 54.24 A ATOM 1728 O GLY 101 1.982 12.852 -2.233 1.00 12.43 A ATOM 1729 N TYR 102 0.090 11.707 -2.645 1.00 61.33 A ATOM 1730 HN TYR 102 -0.838 11.746 -2.957 1.00 11.02 A ATOM 1731 CA TYR 102 0.646 10.425 -2.228 1.00 31.01 A ATOM 1732 HA TYR 102 1.208 10.587 -1.320 1.00 12.03 A ATOM 1733 CB TYR 102 -0.478 9.426 -1.944 1.00 45.33 A ATOM 1734 HB1 TYR 102 -0.060 8.550 -1.471 1.00 23.11 A ATOM 1735 HB2 TYR 102 -0.939 9.140 -2.876 1.00 54.15 A ATOM 1736 CG TYR 102 -1.559 9.972 -1.039 1.00 41.35 A ATOM 1737 CD1 TYR 102 -1.279 10.326 0.275 1.00 71.01 A ATOM 1738 HD1 TYR 102 -0.272 10.206 0.648 1.00 72.22 A ATOM 1739 CD2 TYR 102 -2.860 10.134 -1.498 1.00 74.42 A ATOM 1740 HD2 TYR 102 -3.094 9.863 -2.518 1.00 33.13 A ATOM 1741 CE1 TYR 102 -2.264 10.825 1.106 1.00 61.44 A ATOM 1742 HE1 TYR 102 -2.027 11.094 2.124 1.00 12.23 A ATOM 1743 CE2 TYR 102 -3.851 10.633 -0.675 1.00 71.21 A ATOM 1744 HE2 TYR 102 -4.857 10.752 -1.050 1.00 61.54 A ATOM 1745 CZ TYR 102 -3.548 10.977 0.626 1.00 71.42 A ATOM 1746 OH TYR 102 -4.533 11.473 1.449 1.00 24.13 A ATOM 1747 HH TYR 102 -5.258 11.806 0.916 1.00 60.03 A ATOM 1748 C TYR 102 1.583 9.864 -3.294 1.00 12.45 A ATOM 1749 O TYR 102 1.270 9.887 -4.483 1.00 44.14 A ATOM 1750 N GLU 103 2.733 9.361 -2.856 1.00 12.33 A ATOM 1751 HN GLU 103 2.925 9.372 -1.895 1.00 34.12 A ATOM 1752 CA GLU 103 3.716 8.795 -3.772 1.00 31.24 A ATOM 1753 HA GLU 103 3.929 9.535 -4.528 1.00 64.30 A ATOM 1754 CB GLU 103 5.009 8.461 -3.024 1.00 73.44 A ATOM 1755 HB1 GLU 103 4.772 7.815 -2.192 1.00 32.22 A ATOM 1756 HB2 GLU 103 5.439 9.376 -2.647 1.00 0.34 A ATOM 1757 CG GLU 103 6.048 7.764 -3.887 1.00 53.22 A ATOM 1758 HG1 GLU 103 5.732 6.746 -4.057 1.00 74.53 A ATOM 1759 HG2 GLU 103 6.991 7.764 -3.362 1.00 42.04 A ATOM 1760 CD GLU 103 6.241 8.443 -5.230 1.00 32.45 A ATOM 1761 OE1 GLU 103 5.463 8.146 -6.161 1.00 10.23 A ATOM 1762 OE2 GLU 103 7.169 9.269 -5.349 1.00 41.02 A ATOM 1763 C GLU 103 3.169 7.542 -4.450 1.00 20.12 A ATOM 1764 O GLU 103 3.202 6.450 -3.882 1.00 13.24 A ATOM 1765 N VAL 104 2.666 7.708 -5.669 1.00 32.31 A ATOM 1766 HN VAL 104 2.668 8.602 -6.069 1.00 52.21 A ATOM 1767 CA VAL 104 2.112 6.591 -6.426 1.00 0.42 A ATOM 1768 HA VAL 104 1.812 5.828 -5.723 1.00 74.20 A ATOM 1769 CB VAL 104 0.872 7.020 -7.233 1.00 2.53 A ATOM 1770 HB VAL 104 1.204 7.588 -8.090 1.00 22.51 A ATOM 1771 CG1 VAL 104 0.113 5.801 -7.734 1.00 11.52 A ATOM 1772 HG11 VAL 104 -0.928 6.057 -7.868 1.00 71.44 A ATOM 1773 HG12 VAL 104 0.531 5.479 -8.676 1.00 73.21 A ATOM 1774 HG13 VAL 104 0.196 5.003 -7.011 1.00 2.54 A ATOM 1775 CG2 VAL 104 -0.029 7.911 -6.391 1.00 2.22 A ATOM 1776 HG21 VAL 104 -1.037 7.870 -6.776 1.00 65.25 A ATOM 1777 HG22 VAL 104 -0.021 7.567 -5.367 1.00 32.33 A ATOM 1778 HG23 VAL 104 0.331 8.928 -6.431 1.00 0.45 A ATOM 1779 C VAL 104 3.148 6.006 -7.379 1.00 52.21 A ATOM 1780 O VAL 104 3.898 6.740 -8.024 1.00 33.25 A ATOM 1781 N ARG 105 3.183 4.680 -7.464 1.00 43.42 A ATOM 1782 HN ARG 105 2.560 4.150 -6.925 1.00 60.44 A ATOM 1783 CA ARG 105 4.128 3.996 -8.339 1.00 31.02 A ATOM 1784 HA ARG 105 4.539 4.726 -9.020 1.00 12.23 A ATOM 1785 CB ARG 105 5.266 3.386 -7.518 1.00 35.30 A ATOM 1786 HB1 ARG 105 4.962 2.407 -7.177 1.00 2.52 A ATOM 1787 HB2 ARG 105 5.453 4.015 -6.660 1.00 43.15 A ATOM 1788 CG ARG 105 6.565 3.238 -8.293 1.00 53.30 A ATOM 1789 HG1 ARG 105 6.360 2.738 -9.228 1.00 23.33 A ATOM 1790 HG2 ARG 105 7.256 2.648 -7.710 1.00 2.32 A ATOM 1791 CD ARG 105 7.197 4.591 -8.583 1.00 74.45 A ATOM 1792 HD1 ARG 105 7.268 5.145 -7.660 1.00 25.14 A ATOM 1793 HD2 ARG 105 6.565 5.127 -9.276 1.00 64.34 A ATOM 1794 NE ARG 105 8.531 4.458 -9.163 1.00 13.33 A ATOM 1795 HE ARG 105 8.947 3.572 -9.145 1.00 5.14 A ATOM 1796 CZ ARG 105 9.199 5.469 -9.707 1.00 60.02 A ATOM 1797 NH1 ARG 105 8.660 6.680 -9.746 1.00 64.10 A ATOM 1798 HH11 ARG 105 7.749 6.833 -9.364 1.00 42.32 A ATOM 1799 HH12 ARG 105 9.166 7.440 -10.155 1.00 63.55 A ATOM 1800 NH2 ARG 105 10.409 5.269 -10.214 1.00 1.53 A ATOM 1801 HH21 ARG 105 10.818 4.358 -10.186 1.00 45.10 A ATOM 1802 HH22 ARG 105 10.911 6.031 -10.623 1.00 61.53 A ATOM 1803 C ARG 105 3.429 2.907 -9.148 1.00 1.13 A ATOM 1804 O ARG 105 2.493 2.266 -8.669 1.00 2.43 A ATOM 1805 N LYS 106 3.890 2.703 -10.377 1.00 54.23 A ATOM 1806 HN LYS 106 4.639 3.246 -10.703 1.00 54.01 A ATOM 1807 CA LYS 106 3.311 1.692 -11.254 1.00 14.12 A ATOM 1808 HA LYS 106 2.330 1.448 -10.876 1.00 34.44 A ATOM 1809 CB LYS 106 3.174 2.239 -12.677 1.00 23.33 A ATOM 1810 HB1 LYS 106 2.722 1.480 -13.299 1.00 14.00 A ATOM 1811 HB2 LYS 106 4.159 2.465 -13.059 1.00 30.44 A ATOM 1812 CG LYS 106 2.327 3.496 -12.767 1.00 5.44 A ATOM 1813 HG1 LYS 106 2.497 4.097 -11.884 1.00 42.45 A ATOM 1814 HG2 LYS 106 1.286 3.216 -12.818 1.00 20.40 A ATOM 1815 CD LYS 106 2.676 4.317 -13.997 1.00 63.32 A ATOM 1816 HD1 LYS 106 3.750 4.325 -14.121 1.00 61.32 A ATOM 1817 HD2 LYS 106 2.321 5.327 -13.859 1.00 31.14 A ATOM 1818 CE LYS 106 2.038 3.739 -15.251 1.00 51.42 A ATOM 1819 HE1 LYS 106 0.977 3.628 -15.081 1.00 2.43 A ATOM 1820 HE2 LYS 106 2.474 2.772 -15.448 1.00 75.05 A ATOM 1821 NZ LYS 106 2.249 4.617 -16.436 1.00 24.04 A ATOM 1822 HZ1 LYS 106 2.134 4.068 -17.312 1.00 12.24 A ATOM 1823 HZ2 LYS 106 3.208 5.019 -16.416 1.00 22.31 A ATOM 1824 HZ3 LYS 106 1.559 5.395 -16.432 1.00 71.54 A ATOM 1825 C LYS 106 4.163 0.427 -11.263 1.00 43.42 A ATOM 1826 O LYS 106 5.392 0.494 -11.214 1.00 14.42 A ATOM 1827 N VAL 107 3.504 -0.725 -11.329 1.00 20.05 A ATOM 1828 HN VAL 107 2.525 -0.714 -11.366 1.00 11.03 A ATOM 1829 CA VAL 107 4.202 -2.005 -11.347 1.00 71.03 A ATOM 1830 HA VAL 107 5.149 -1.862 -11.847 1.00 0.30 A ATOM 1831 CB VAL 107 4.480 -2.514 -9.920 1.00 42.53 A ATOM 1832 HB VAL 107 5.018 -1.745 -9.384 1.00 53.04 A ATOM 1833 CG1 VAL 107 3.176 -2.783 -9.185 1.00 40.52 A ATOM 1834 HG11 VAL 107 2.360 -2.318 -9.719 1.00 71.22 A ATOM 1835 HG12 VAL 107 3.009 -3.848 -9.126 1.00 21.13 A ATOM 1836 HG13 VAL 107 3.233 -2.370 -8.188 1.00 64.54 A ATOM 1837 CG2 VAL 107 5.347 -3.763 -9.960 1.00 30.00 A ATOM 1838 HG21 VAL 107 5.520 -4.048 -10.987 1.00 54.11 A ATOM 1839 HG22 VAL 107 6.293 -3.561 -9.479 1.00 1.02 A ATOM 1840 HG23 VAL 107 4.845 -4.567 -9.442 1.00 51.43 A ATOM 1841 C VAL 107 3.399 -3.058 -12.103 1.00 14.15 A ATOM 1842 O VAL 107 2.197 -3.213 -11.884 1.00 74.42 A ATOM 1843 N THR 108 4.071 -3.781 -12.993 1.00 54.01 A ATOM 1844 HN THR 108 5.027 -3.610 -13.122 1.00 71.10 A ATOM 1845 CA THR 108 3.420 -4.819 -13.782 1.00 30.40 A ATOM 1846 HA THR 108 2.373 -4.835 -13.514 1.00 64.13 A ATOM 1847 CB THR 108 3.529 -4.530 -15.291 1.00 11.21 A ATOM 1848 HB THR 108 3.115 -5.367 -15.834 1.00 33.54 A ATOM 1849 OG1 THR 108 4.903 -4.367 -15.661 1.00 33.14 A ATOM 1850 HG1 THR 108 5.005 -4.547 -16.598 1.00 43.24 A ATOM 1851 CG2 THR 108 2.748 -3.278 -15.659 1.00 54.44 A ATOM 1852 HG21 THR 108 3.352 -2.651 -16.298 1.00 5.54 A ATOM 1853 HG22 THR 108 2.491 -2.736 -14.761 1.00 71.21 A ATOM 1854 HG23 THR 108 1.845 -3.558 -16.181 1.00 42.45 A ATOM 1855 C THR 108 4.025 -6.189 -13.494 1.00 13.30 A ATOM 1856 O THR 108 3.355 -7.214 -13.625 1.00 0.55 A ATOM 1857 N ASP 109 5.294 -6.199 -13.101 1.00 53.02 A ATOM 1858 HN ASP 109 5.775 -5.349 -13.016 1.00 14.01 A ATOM 1859 CA ASP 109 5.989 -7.443 -12.793 1.00 35.44 A ATOM 1860 HA ASP 109 5.680 -8.184 -13.515 1.00 41.54 A ATOM 1861 CB ASP 109 7.502 -7.247 -12.897 1.00 73.13 A ATOM 1862 HB1 ASP 109 7.993 -7.911 -12.201 1.00 42.23 A ATOM 1863 HB2 ASP 109 7.744 -6.225 -12.646 1.00 11.42 A ATOM 1864 CG ASP 109 8.028 -7.535 -14.290 1.00 31.24 A ATOM 1865 OD1 ASP 109 9.021 -8.283 -14.406 1.00 24.32 A ATOM 1866 OD2 ASP 109 7.446 -7.013 -15.263 1.00 72.31 A ATOM 1867 C ASP 109 5.623 -7.938 -11.397 1.00 33.43 A ATOM 1868 O ASP 109 5.645 -7.175 -10.431 1.00 70.00 A ATOM 1869 N ASP 110 5.285 -9.219 -11.298 1.00 65.55 A ATOM 1870 HN ASP 110 5.287 -9.777 -12.105 1.00 33.33 A ATOM 1871 CA ASP 110 4.915 -9.817 -10.021 1.00 15.32 A ATOM 1872 HA ASP 110 4.036 -9.305 -9.658 1.00 73.34 A ATOM 1873 CB ASP 110 4.587 -11.300 -10.203 1.00 0.43 A ATOM 1874 HB1 ASP 110 3.635 -11.392 -10.704 1.00 33.44 A ATOM 1875 HB2 ASP 110 4.526 -11.770 -9.232 1.00 0.11 A ATOM 1876 CG ASP 110 5.634 -12.027 -11.022 1.00 62.54 A ATOM 1877 OD1 ASP 110 5.490 -12.075 -12.262 1.00 14.23 A ATOM 1878 OD2 ASP 110 6.598 -12.551 -10.424 1.00 41.35 A ATOM 1879 C ASP 110 6.035 -9.652 -8.998 1.00 73.15 A ATOM 1880 O ASP 110 5.780 -9.409 -7.819 1.00 63.43 A ATOM 1881 N GLU 111 7.274 -9.787 -9.459 1.00 64.03 A ATOM 1882 HN GLU 111 7.413 -9.980 -10.410 1.00 31.40 A ATOM 1883 CA GLU 111 8.433 -9.655 -8.584 1.00 32.04 A ATOM 1884 HA GLU 111 8.216 -10.179 -7.665 1.00 72.33 A ATOM 1885 CB GLU 111 9.667 -10.283 -9.235 1.00 34.30 A ATOM 1886 HB1 GLU 111 10.551 -9.881 -8.763 1.00 62.25 A ATOM 1887 HB2 GLU 111 9.678 -10.022 -10.283 1.00 2.01 A ATOM 1888 CG GLU 111 9.711 -11.798 -9.119 1.00 43.33 A ATOM 1889 HG1 GLU 111 8.756 -12.198 -9.426 1.00 42.23 A ATOM 1890 HG2 GLU 111 9.896 -12.062 -8.089 1.00 24.00 A ATOM 1891 CD GLU 111 10.796 -12.417 -9.980 1.00 13.32 A ATOM 1892 OE1 GLU 111 11.636 -13.160 -9.431 1.00 33.14 A ATOM 1893 OE2 GLU 111 10.805 -12.158 -11.201 1.00 54.02 A ATOM 1894 C GLU 111 8.706 -8.189 -8.260 1.00 51.10 A ATOM 1895 O GLU 111 8.990 -7.838 -7.115 1.00 61.53 A ATOM 1896 N GLU 112 8.618 -7.338 -9.278 1.00 11.04 A ATOM 1897 HN GLU 112 8.387 -7.678 -10.167 1.00 65.22 A ATOM 1898 CA GLU 112 8.857 -5.910 -9.101 1.00 70.45 A ATOM 1899 HA GLU 112 9.891 -5.780 -8.819 1.00 15.41 A ATOM 1900 CB GLU 112 8.602 -5.162 -10.412 1.00 34.53 A ATOM 1901 HB1 GLU 112 7.575 -5.322 -10.708 1.00 44.25 A ATOM 1902 HB2 GLU 112 9.253 -5.563 -11.174 1.00 64.20 A ATOM 1903 CG GLU 112 8.843 -3.665 -10.315 1.00 31.40 A ATOM 1904 HG1 GLU 112 9.900 -3.492 -10.179 1.00 23.11 A ATOM 1905 HG2 GLU 112 8.304 -3.281 -9.462 1.00 72.11 A ATOM 1906 CD GLU 112 8.385 -2.919 -11.553 1.00 75.41 A ATOM 1907 OE1 GLU 112 7.806 -1.823 -11.406 1.00 2.34 A ATOM 1908 OE2 GLU 112 8.605 -3.433 -12.670 1.00 31.20 A ATOM 1909 C GLU 112 7.970 -5.342 -7.998 1.00 33.25 A ATOM 1910 O GLU 112 8.414 -4.531 -7.185 1.00 72.53 A ATOM 1911 N ALA 113 6.713 -5.774 -7.976 1.00 11.13 A ATOM 1912 HN ALA 113 6.418 -6.421 -8.650 1.00 50.41 A ATOM 1913 CA ALA 113 5.763 -5.310 -6.972 1.00 23.22 A ATOM 1914 HA ALA 113 5.562 -4.266 -7.161 1.00 15.54 A ATOM 1915 CB ALA 113 4.453 -6.074 -7.093 1.00 12.34 A ATOM 1916 HB1 ALA 113 4.285 -6.645 -6.191 1.00 4.43 A ATOM 1917 HB2 ALA 113 3.641 -5.376 -7.233 1.00 42.51 A ATOM 1918 HB3 ALA 113 4.503 -6.743 -7.938 1.00 61.03 A ATOM 1919 C ALA 113 6.335 -5.457 -5.566 1.00 4.41 A ATOM 1920 O ALA 113 6.019 -4.672 -4.671 1.00 11.21 A ATOM 1921 N LEU 114 7.178 -6.466 -5.378 1.00 4.25 A ATOM 1922 HN LEU 114 7.392 -7.057 -6.128 1.00 61.45 A ATOM 1923 CA LEU 114 7.795 -6.716 -4.079 1.00 53.31 A ATOM 1924 HA LEU 114 7.051 -6.530 -3.318 1.00 63.04 A ATOM 1925 CB LEU 114 8.254 -8.172 -3.982 1.00 43.54 A ATOM 1926 HB1 LEU 114 8.385 -8.407 -2.936 1.00 31.33 A ATOM 1927 HB2 LEU 114 9.204 -8.253 -4.489 1.00 12.23 A ATOM 1928 CG LEU 114 7.312 -9.214 -4.585 1.00 31.33 A ATOM 1929 HG LEU 114 7.193 -9.016 -5.641 1.00 42.40 A ATOM 1930 CD1 LEU 114 7.894 -10.611 -4.433 1.00 43.11 A ATOM 1931 HD11 LEU 114 8.899 -10.542 -4.044 1.00 15.25 A ATOM 1932 HD12 LEU 114 7.914 -11.099 -5.396 1.00 44.13 A ATOM 1933 HD13 LEU 114 7.282 -11.184 -3.752 1.00 71.24 A ATOM 1934 CD2 LEU 114 5.940 -9.133 -3.932 1.00 55.02 A ATOM 1935 HD21 LEU 114 5.449 -10.092 -4.006 1.00 71.32 A ATOM 1936 HD22 LEU 114 5.345 -8.385 -4.437 1.00 10.14 A ATOM 1937 HD23 LEU 114 6.051 -8.864 -2.892 1.00 72.43 A ATOM 1938 C LEU 114 8.978 -5.781 -3.849 1.00 13.20 A ATOM 1939 O LEU 114 9.235 -5.352 -2.724 1.00 30.43 A ATOM 1940 N LYS 115 9.694 -5.466 -4.923 1.00 0.01 A ATOM 1941 HN LYS 115 9.439 -5.839 -5.793 1.00 64.23 A ATOM 1942 CA LYS 115 10.848 -4.579 -4.840 1.00 41.32 A ATOM 1943 HA LYS 115 11.491 -4.943 -4.053 1.00 14.52 A ATOM 1944 CB LYS 115 11.622 -4.591 -6.160 1.00 40.34 A ATOM 1945 HB1 LYS 115 12.601 -4.164 -5.994 1.00 12.01 A ATOM 1946 HB2 LYS 115 11.092 -3.984 -6.880 1.00 2.10 A ATOM 1947 CG LYS 115 11.802 -5.980 -6.748 1.00 15.13 A ATOM 1948 HG1 LYS 115 12.322 -5.897 -7.692 1.00 35.23 A ATOM 1949 HG2 LYS 115 10.829 -6.422 -6.908 1.00 3.40 A ATOM 1950 CD LYS 115 12.602 -6.878 -5.820 1.00 64.21 A ATOM 1951 HD1 LYS 115 12.332 -7.908 -6.009 1.00 4.33 A ATOM 1952 HD2 LYS 115 12.369 -6.625 -4.797 1.00 14.22 A ATOM 1953 CE LYS 115 14.099 -6.712 -6.038 1.00 14.55 A ATOM 1954 HE1 LYS 115 14.273 -6.465 -7.074 1.00 51.15 A ATOM 1955 HE2 LYS 115 14.589 -7.643 -5.802 1.00 63.41 A ATOM 1956 NZ LYS 115 14.667 -5.634 -5.181 1.00 31.22 A ATOM 1957 HZ1 LYS 115 15.230 -6.050 -4.411 1.00 50.22 A ATOM 1958 HZ2 LYS 115 13.901 -5.066 -4.766 1.00 41.14 A ATOM 1959 HZ3 LYS 115 15.279 -5.012 -5.747 1.00 35.41 A ATOM 1960 C LYS 115 10.417 -3.155 -4.505 1.00 13.34 A ATOM 1961 O LYS 115 10.952 -2.535 -3.585 1.00 44.55 A ATOM 1962 N ILE 116 9.446 -2.643 -5.254 1.00 33.44 A ATOM 1963 HN ILE 116 9.059 -3.187 -5.971 1.00 52.11 A ATOM 1964 CA ILE 116 8.941 -1.294 -5.033 1.00 4.21 A ATOM 1965 HA ILE 116 9.735 -0.599 -5.268 1.00 71.23 A ATOM 1966 CB ILE 116 7.740 -0.985 -5.946 1.00 62.21 A ATOM 1967 HB ILE 116 6.942 -1.667 -5.696 1.00 13.43 A ATOM 1968 CG1 ILE 116 8.124 -1.182 -7.414 1.00 40.01 A ATOM 1969 HG11 ILE 116 7.273 -0.944 -8.036 1.00 0.42 A ATOM 1970 HG12 ILE 116 8.402 -2.212 -7.572 1.00 50.02 A ATOM 1971 CG2 ILE 116 7.245 0.433 -5.708 1.00 54.41 A ATOM 1972 HG21 ILE 116 7.125 0.937 -6.656 1.00 62.33 A ATOM 1973 HG22 ILE 116 6.294 0.401 -5.197 1.00 3.13 A ATOM 1974 HG23 ILE 116 7.961 0.969 -5.104 1.00 23.11 A ATOM 1975 CD1 ILE 116 9.282 -0.315 -7.857 1.00 71.44 A ATOM 1976 HD11 ILE 116 10.162 -0.928 -7.985 1.00 42.24 A ATOM 1977 HD12 ILE 116 9.036 0.164 -8.793 1.00 22.11 A ATOM 1978 HD13 ILE 116 9.475 0.438 -7.107 1.00 41.21 A ATOM 1979 C ILE 116 8.526 -1.093 -3.580 1.00 35.24 A ATOM 1980 O ILE 116 8.544 0.025 -3.066 1.00 2.51 A ATOM 1981 N VAL 117 8.152 -2.185 -2.921 1.00 33.45 A ATOM 1982 HN VAL 117 8.158 -3.049 -3.384 1.00 12.20 A ATOM 1983 CA VAL 117 7.734 -2.131 -1.525 1.00 11.43 A ATOM 1984 HA VAL 117 7.035 -1.314 -1.417 1.00 51.12 A ATOM 1985 CB VAL 117 7.027 -3.431 -1.099 1.00 70.10 A ATOM 1986 HB VAL 117 7.699 -4.257 -1.278 1.00 22.54 A ATOM 1987 CG1 VAL 117 6.697 -3.398 0.386 1.00 61.55 A ATOM 1988 HG11 VAL 117 5.860 -4.052 0.582 1.00 31.13 A ATOM 1989 HG12 VAL 117 7.555 -3.729 0.953 1.00 71.24 A ATOM 1990 HG13 VAL 117 6.441 -2.390 0.675 1.00 51.11 A ATOM 1991 CG2 VAL 117 5.770 -3.650 -1.928 1.00 45.01 A ATOM 1992 HG21 VAL 117 4.929 -3.189 -1.433 1.00 51.54 A ATOM 1993 HG22 VAL 117 5.901 -3.207 -2.905 1.00 1.53 A ATOM 1994 HG23 VAL 117 5.589 -4.709 -2.035 1.00 44.05 A ATOM 1995 C VAL 117 8.924 -1.887 -0.604 1.00 23.31 A ATOM 1996 O VAL 117 8.884 -1.012 0.261 1.00 23.21 A ATOM 1997 N ARG 118 9.983 -2.667 -0.796 1.00 62.12 A ATOM 1998 HN ARG 118 9.955 -3.347 -1.502 1.00 11.23 A ATOM 1999 CA ARG 118 11.186 -2.537 0.018 1.00 52.13 A ATOM 2000 HA ARG 118 10.930 -2.802 1.033 1.00 70.14 A ATOM 2001 CB ARG 118 12.273 -3.487 -0.486 1.00 25.51 A ATOM 2002 HB1 ARG 118 11.802 -4.357 -0.919 1.00 3.20 A ATOM 2003 HB2 ARG 118 12.881 -3.797 0.352 1.00 42.12 A ATOM 2004 CG ARG 118 13.186 -2.869 -1.532 1.00 71.14 A ATOM 2005 HG1 ARG 118 13.989 -2.347 -1.033 1.00 73.22 A ATOM 2006 HG2 ARG 118 12.615 -2.171 -2.127 1.00 62.43 A ATOM 2007 CD ARG 118 13.778 -3.927 -2.450 1.00 64.11 A ATOM 2008 HD1 ARG 118 14.198 -3.438 -3.316 1.00 65.34 A ATOM 2009 HD2 ARG 118 12.991 -4.597 -2.761 1.00 55.55 A ATOM 2010 NE ARG 118 14.825 -4.702 -1.788 1.00 55.03 A ATOM 2011 HE ARG 118 14.607 -5.617 -1.515 1.00 22.05 A ATOM 2012 CZ ARG 118 16.043 -4.233 -1.542 1.00 54.45 A ATOM 2013 NH1 ARG 118 16.366 -2.998 -1.901 1.00 52.24 A ATOM 2014 HH11 ARG 118 15.691 -2.418 -2.358 1.00 2.03 A ATOM 2015 HH12 ARG 118 17.283 -2.646 -1.714 1.00 64.40 A ATOM 2016 NH2 ARG 118 16.940 -4.999 -0.936 1.00 3.32 A ATOM 2017 HH21 ARG 118 16.700 -5.930 -0.664 1.00 2.05 A ATOM 2018 HH22 ARG 118 17.857 -4.645 -0.751 1.00 54.34 A ATOM 2019 C ARG 118 11.702 -1.101 -0.001 1.00 32.05 A ATOM 2020 O ARG 118 12.369 -0.660 0.934 1.00 2.13 A ATOM 2021 N GLU 119 11.388 -0.378 -1.071 1.00 73.21 A ATOM 2022 HN GLU 119 10.853 -0.786 -1.784 1.00 33.14 A ATOM 2023 CA GLU 119 11.821 1.007 -1.211 1.00 23.02 A ATOM 2024 HA GLU 119 12.869 1.054 -0.956 1.00 21.14 A ATOM 2025 CB GLU 119 11.640 1.478 -2.655 1.00 50.32 A ATOM 2026 HB1 GLU 119 12.026 2.483 -2.744 1.00 0.11 A ATOM 2027 HB2 GLU 119 10.586 1.486 -2.889 1.00 74.22 A ATOM 2028 CG GLU 119 12.350 0.603 -3.675 1.00 12.24 A ATOM 2029 HG1 GLU 119 11.866 0.724 -4.633 1.00 4.42 A ATOM 2030 HG2 GLU 119 12.272 -0.427 -3.362 1.00 24.24 A ATOM 2031 CD GLU 119 13.817 0.955 -3.824 1.00 23.51 A ATOM 2032 OE1 GLU 119 14.629 0.030 -4.038 1.00 23.14 A ATOM 2033 OE2 GLU 119 14.154 2.153 -3.727 1.00 11.02 A ATOM 2034 C GLU 119 11.044 1.918 -0.265 1.00 53.35 A ATOM 2035 O GLU 119 11.631 2.688 0.495 1.00 13.41 A ATOM 2036 N PHE 120 9.719 1.825 -0.320 1.00 2.43 A ATOM 2037 HN PHE 120 9.310 1.193 -0.947 1.00 33.32 A ATOM 2038 CA PHE 120 8.860 2.642 0.530 1.00 61.12 A ATOM 2039 HA PHE 120 9.052 3.678 0.296 1.00 23.31 A ATOM 2040 CB PHE 120 7.388 2.333 0.250 1.00 31.30 A ATOM 2041 HB1 PHE 120 6.771 2.945 0.890 1.00 22.15 A ATOM 2042 HB2 PHE 120 7.199 1.291 0.464 1.00 43.44 A ATOM 2043 CG PHE 120 6.981 2.592 -1.172 1.00 54.51 A ATOM 2044 CD1 PHE 120 6.165 1.699 -1.847 1.00 70.33 A ATOM 2045 HD1 PHE 120 5.821 0.808 -1.342 1.00 5.23 A ATOM 2046 CD2 PHE 120 7.413 3.731 -1.834 1.00 32.44 A ATOM 2047 HD2 PHE 120 8.049 4.435 -1.316 1.00 64.23 A ATOM 2048 CE1 PHE 120 5.789 1.935 -3.156 1.00 45.12 A ATOM 2049 HE1 PHE 120 5.153 1.231 -3.671 1.00 50.13 A ATOM 2050 CE2 PHE 120 7.040 3.973 -3.142 1.00 61.45 A ATOM 2051 HE2 PHE 120 7.384 4.864 -3.646 1.00 13.12 A ATOM 2052 CZ PHE 120 6.226 3.074 -3.804 1.00 64.02 A ATOM 2053 HZ PHE 120 5.935 3.261 -4.827 1.00 33.32 A ATOM 2054 C PHE 120 9.170 2.404 2.005 1.00 51.51 A ATOM 2055 O PHE 120 9.101 3.324 2.820 1.00 24.21 A ATOM 2056 N MET 121 9.510 1.164 2.340 1.00 43.23 A ATOM 2057 HN MET 121 9.548 0.474 1.645 1.00 34.30 A ATOM 2058 CA MET 121 9.831 0.805 3.716 1.00 3.32 A ATOM 2059 HA MET 121 9.059 1.210 4.353 1.00 74.15 A ATOM 2060 CB MET 121 9.861 -0.716 3.876 1.00 51.14 A ATOM 2061 HB1 MET 121 10.506 -0.967 4.705 1.00 73.14 A ATOM 2062 HB2 MET 121 10.261 -1.153 2.973 1.00 4.21 A ATOM 2063 CG MET 121 8.493 -1.327 4.135 1.00 42.45 A ATOM 2064 HG1 MET 121 7.926 -1.306 3.216 1.00 71.22 A ATOM 2065 HG2 MET 121 7.985 -0.736 4.882 1.00 41.41 A ATOM 2066 SD MET 121 8.592 -3.030 4.716 1.00 21.43 A ATOM 2067 CE MET 121 9.563 -3.778 3.410 1.00 21.32 A ATOM 2068 HE1 MET 121 9.067 -4.671 3.058 1.00 11.43 A ATOM 2069 HE2 MET 121 9.668 -3.079 2.594 1.00 14.31 A ATOM 2070 HE3 MET 121 10.541 -4.036 3.791 1.00 35.35 A ATOM 2071 C MET 121 11.173 1.398 4.134 1.00 43.32 A ATOM 2072 O MET 121 11.355 1.795 5.284 1.00 13.24 A ATOM 2073 N GLN 122 12.109 1.454 3.192 1.00 43.42 A ATOM 2074 HN GLN 122 11.904 1.122 2.294 1.00 40.24 A ATOM 2075 CA GLN 122 13.435 1.998 3.464 1.00 54.11 A ATOM 2076 HA GLN 122 13.825 1.497 4.336 1.00 25.04 A ATOM 2077 CB GLN 122 14.369 1.738 2.281 1.00 74.42 A ATOM 2078 HB1 GLN 122 14.132 2.435 1.491 1.00 70.35 A ATOM 2079 HB2 GLN 122 14.206 0.732 1.923 1.00 34.25 A ATOM 2080 CG GLN 122 15.842 1.889 2.624 1.00 53.22 A ATOM 2081 HG1 GLN 122 15.978 2.813 3.166 1.00 44.43 A ATOM 2082 HG2 GLN 122 16.410 1.924 1.706 1.00 23.33 A ATOM 2083 CD GLN 122 16.364 0.747 3.473 1.00 33.00 A ATOM 2084 OE1 GLN 122 16.766 -0.294 2.954 1.00 61.53 A ATOM 2085 NE2 GLN 122 16.360 0.936 4.787 1.00 2.43 A ATOM 2086 HE21 GLN 122 16.024 1.791 5.130 1.00 12.34 A ATOM 2087 HE22 GLN 122 16.691 0.215 5.360 1.00 62.40 A ATOM 2088 C GLN 122 13.361 3.495 3.749 1.00 60.50 A ATOM 2089 O GLN 122 14.022 3.998 4.658 1.00 73.41 A ATOM 2090 N LYS 123 12.553 4.202 2.966 1.00 23.12 A ATOM 2091 HN LYS 123 12.052 3.744 2.258 1.00 5.02 A ATOM 2092 CA LYS 123 12.392 5.641 3.134 1.00 13.21 A ATOM 2093 HA LYS 123 13.374 6.088 3.129 1.00 42.21 A ATOM 2094 CB LYS 123 11.574 6.222 1.978 1.00 60.40 A ATOM 2095 HB1 LYS 123 11.224 7.205 2.259 1.00 73.43 A ATOM 2096 HB2 LYS 123 10.722 5.583 1.799 1.00 33.24 A ATOM 2097 CG LYS 123 12.357 6.347 0.682 1.00 35.32 A ATOM 2098 HG1 LYS 123 13.099 5.562 0.643 1.00 12.04 A ATOM 2099 HG2 LYS 123 12.846 7.309 0.659 1.00 21.01 A ATOM 2100 CD LYS 123 11.449 6.228 -0.531 1.00 1.02 A ATOM 2101 HD1 LYS 123 10.921 7.161 -0.667 1.00 13.11 A ATOM 2102 HD2 LYS 123 10.739 5.432 -0.362 1.00 63.24 A ATOM 2103 CE LYS 123 12.242 5.920 -1.792 1.00 11.31 A ATOM 2104 HE1 LYS 123 11.576 5.486 -2.523 1.00 32.02 A ATOM 2105 HE2 LYS 123 13.020 5.213 -1.549 1.00 34.32 A ATOM 2106 NZ LYS 123 12.863 7.144 -2.369 1.00 42.40 A ATOM 2107 HZ1 LYS 123 12.237 7.557 -3.090 1.00 34.05 A ATOM 2108 HZ2 LYS 123 13.774 6.908 -2.812 1.00 74.14 A ATOM 2109 HZ3 LYS 123 13.026 7.849 -1.622 1.00 21.01 A ATOM 2110 C LYS 123 11.713 5.961 4.462 1.00 53.31 A ATOM 2111 O LYS 123 12.112 6.888 5.166 1.00 22.25 A ATOM 2112 N ALA 124 10.685 5.188 4.798 1.00 64.14 A ATOM 2113 HN ALA 124 10.414 4.465 4.194 1.00 1.22 A ATOM 2114 CA ALA 124 9.954 5.387 6.042 1.00 12.34 A ATOM 2115 HA ALA 124 9.573 6.399 6.048 1.00 64.23 A ATOM 2116 CB ALA 124 8.768 4.436 6.116 1.00 43.40 A ATOM 2117 HB1 ALA 124 7.852 4.994 5.984 1.00 62.21 A ATOM 2118 HB2 ALA 124 8.854 3.694 5.337 1.00 71.21 A ATOM 2119 HB3 ALA 124 8.758 3.949 7.079 1.00 35.13 A ATOM 2120 C ALA 124 10.864 5.196 7.251 1.00 71.42 A ATOM 2121 O ALA 124 10.597 5.721 8.331 1.00 71.31 A ATOM 2122 N GLY 125 11.941 4.439 7.061 1.00 34.21 A ATOM 2123 HN GLY 125 12.103 4.046 6.178 1.00 72.31 A ATOM 2124 CA GLY 125 12.873 4.191 8.145 1.00 63.41 A ATOM 2125 HA1 GLY 125 13.641 3.516 7.796 1.00 21.42 A ATOM 2126 HA2 GLY 125 12.343 3.725 8.962 1.00 31.01 A ATOM 2127 C GLY 125 13.531 5.461 8.647 1.00 55.05 A ATOM 2128 O GLY 125 13.993 5.521 9.786 1.00 71.33 A ATOM 2129 N SER 126 13.574 6.480 7.794 1.00 71.44 A ATOM 2130 HN SER 126 13.188 6.370 6.899 1.00 0.41 A ATOM 2131 CA SER 126 14.185 7.754 8.155 1.00 73.52 A ATOM 2132 HA SER 126 15.043 7.545 8.776 1.00 12.33 A ATOM 2133 CB SER 126 14.647 8.495 6.899 1.00 4.54 A ATOM 2134 HB1 SER 126 14.821 9.534 7.142 1.00 71.01 A ATOM 2135 HB2 SER 126 13.883 8.426 6.141 1.00 73.01 A ATOM 2136 OG SER 126 15.847 7.938 6.391 1.00 41.41 A ATOM 2137 HG SER 126 16.378 7.603 7.117 1.00 11.42 A ATOM 2138 C SER 126 13.207 8.621 8.941 1.00 54.52 A ATOM 2139 O SER 126 13.608 9.405 9.802 1.00 13.50 A ATOM 2140 N LEU 127 11.921 8.476 8.638 1.00 24.21 A ATOM 2141 HN LEU 127 11.663 7.836 7.943 1.00 30.30 A ATOM 2142 CA LEU 127 10.884 9.246 9.315 1.00 32.24 A ATOM 2143 HA LEU 127 11.187 10.282 9.315 1.00 1.21 A ATOM 2144 CB LEU 127 9.555 9.115 8.569 1.00 31.12 A ATOM 2145 HB1 LEU 127 8.917 9.927 8.887 1.00 13.12 A ATOM 2146 HB2 LEU 127 9.107 8.175 8.854 1.00 41.30 A ATOM 2147 CG LEU 127 9.636 9.151 7.043 1.00 51.33 A ATOM 2148 HG LEU 127 10.230 8.315 6.700 1.00 41.31 A ATOM 2149 CD1 LEU 127 8.249 9.023 6.431 1.00 24.53 A ATOM 2150 HD11 LEU 127 8.077 9.845 5.753 1.00 22.44 A ATOM 2151 HD12 LEU 127 7.507 9.041 7.216 1.00 42.14 A ATOM 2152 HD13 LEU 127 8.179 8.089 5.892 1.00 42.21 A ATOM 2153 CD2 LEU 127 10.310 10.433 6.575 1.00 62.32 A ATOM 2154 HD21 LEU 127 10.032 11.245 7.230 1.00 51.13 A ATOM 2155 HD22 LEU 127 9.994 10.659 5.567 1.00 73.43 A ATOM 2156 HD23 LEU 127 11.382 10.304 6.596 1.00 61.21 A ATOM 2157 C LEU 127 10.717 8.783 10.759 1.00 21.21 A ATOM 2158 O LEU 127 10.318 9.558 11.627 1.00 0.40 A ATOM 2159 N GLU 128 11.028 7.514 11.008 1.00 13.42 A ATOM 2160 HN GLU 128 11.340 6.945 10.274 1.00 4.52 A ATOM 2161 CA GLU 128 10.913 6.949 12.348 1.00 42.45 A ATOM 2162 HA GLU 128 9.865 6.913 12.604 1.00 42.32 A ATOM 2163 CB GLU 128 11.481 5.529 12.376 1.00 31.21 A ATOM 2164 HB1 GLU 128 11.602 5.223 13.405 1.00 14.41 A ATOM 2165 HB2 GLU 128 12.448 5.531 11.895 1.00 30.42 A ATOM 2166 CG GLU 128 10.601 4.507 11.676 1.00 54.30 A ATOM 2167 HG1 GLU 128 10.714 4.625 10.608 1.00 23.43 A ATOM 2168 HG2 GLU 128 9.572 4.690 11.949 1.00 21.33 A ATOM 2169 CD GLU 128 10.954 3.080 12.047 1.00 1.34 A ATOM 2170 OE1 GLU 128 11.427 2.337 11.162 1.00 52.22 A ATOM 2171 OE2 GLU 128 10.758 2.706 13.223 1.00 40.55 A ATOM 2172 C GLU 128 11.640 7.820 13.369 1.00 35.21 A ATOM 2173 O GLU 128 11.214 7.933 14.519 1.00 24.33 A ATOM 2174 N HIS 129 12.738 8.433 12.941 1.00 44.04 A ATOM 2175 HN HIS 129 13.027 8.304 12.013 1.00 34.02 A ATOM 2176 CA HIS 129 13.525 9.294 13.817 1.00 32.43 A ATOM 2177 HA HIS 129 13.183 9.137 14.829 1.00 1.11 A ATOM 2178 CB HIS 129 15.007 8.928 13.730 1.00 32.14 A ATOM 2179 HB1 HIS 129 15.571 9.579 14.383 1.00 53.34 A ATOM 2180 HB2 HIS 129 15.345 9.064 12.714 1.00 62.32 A ATOM 2181 CG HIS 129 15.299 7.513 14.127 1.00 51.44 A ATOM 2182 ND1 HIS 129 14.862 6.424 13.403 1.00 22.32 A ATOM 2183 HD1 HIS 129 14.331 6.458 12.581 1.00 13.41 A ATOM 2184 CD2 HIS 129 15.990 7.013 15.177 1.00 10.04 A ATOM 2185 HD2 HIS 129 16.477 7.584 15.956 1.00 72.11 A ATOM 2186 CE1 HIS 129 15.271 5.314 13.993 1.00 54.32 A ATOM 2187 HE1 HIS 129 15.077 4.309 13.651 1.00 32.54 A ATOM 2188 NE2 HIS 129 15.958 5.644 15.072 1.00 54.34 A ATOM 2189 HE2 HIS 129 16.457 5.018 15.637 1.00 37.88 A ATOM 2190 C HIS 129 13.329 10.763 13.455 1.00 60.44 A ATOM 2191 O HIS 129 14.050 11.308 12.618 1.00 21.42 A ATOM 2192 N HIS 130 12.349 11.398 14.089 1.00 53.33 A ATOM 2193 HN HIS 130 11.809 10.910 14.744 1.00 14.24 A ATOM 2194 CA HIS 130 12.058 12.804 13.832 1.00 1.54 A ATOM 2195 HA HIS 130 11.724 12.893 12.810 1.00 52.01 A ATOM 2196 CB HIS 130 10.949 13.296 14.763 1.00 72.41 A ATOM 2197 HB1 HIS 130 11.268 13.175 15.788 1.00 32.12 A ATOM 2198 HB2 HIS 130 10.060 12.705 14.596 1.00 41.03 A ATOM 2199 CG HIS 130 10.589 14.735 14.558 1.00 31.04 A ATOM 2200 ND1 HIS 130 10.202 15.568 15.587 1.00 22.42 A ATOM 2201 HD1 HIS 130 10.123 15.314 16.530 1.00 60.50 A ATOM 2202 CD2 HIS 130 10.560 15.489 13.435 1.00 42.31 A ATOM 2203 HD2 HIS 130 10.806 15.161 12.435 1.00 62.23 A ATOM 2204 CE1 HIS 130 9.950 16.771 15.105 1.00 14.42 A ATOM 2205 HE1 HIS 130 9.627 17.627 15.679 1.00 52.32 A ATOM 2206 NE2 HIS 130 10.160 16.751 13.801 1.00 33.44 A ATOM 2207 HE2 HIS 130 9.951 17.483 13.184 1.00 37.88 A ATOM 2208 C HIS 130 13.308 13.660 14.016 1.00 22.21 A ATOM 2209 O HIS 130 13.907 14.120 13.043 1.00 33.30 A ATOM 2210 N HIS 131 13.697 13.870 15.270 1.00 73.22 A ATOM 2211 HN HIS 131 13.179 13.477 16.003 1.00 73.13 A ATOM 2212 CA HIS 131 14.876 14.670 15.581 1.00 53.31 A ATOM 2213 HA HIS 131 15.437 14.802 14.668 1.00 23.15 A ATOM 2214 CB HIS 131 14.461 16.043 16.112 1.00 72.21 A ATOM 2215 HB1 HIS 131 15.291 16.480 16.648 1.00 13.30 A ATOM 2216 HB2 HIS 131 13.626 15.923 16.786 1.00 32.04 A ATOM 2217 CG HIS 131 14.049 17.001 15.037 1.00 2.43 A ATOM 2218 ND1 HIS 131 12.998 17.883 15.177 1.00 31.41 A ATOM 2219 HD1 HIS 131 12.426 17.971 15.968 1.00 65.21 A ATOM 2220 CD2 HIS 131 14.555 17.215 13.800 1.00 5.33 A ATOM 2221 HD2 HIS 131 15.392 16.699 13.351 1.00 23.22 A ATOM 2222 CE1 HIS 131 12.874 18.596 14.072 1.00 21.20 A ATOM 2223 HE1 HIS 131 12.136 19.363 13.894 1.00 0.52 A ATOM 2224 NE2 HIS 131 13.808 18.211 13.221 1.00 73.42 A ATOM 2225 HE2 HIS 131 13.884 18.513 12.292 1.00 37.88 A ATOM 2226 C HIS 131 15.759 13.962 16.603 1.00 21.14 A ATOM 2227 O HIS 131 16.939 13.714 16.354 1.00 61.34 A ATOM 2228 N HIS 132 15.180 13.640 17.756 1.00 65.51 A ATOM 2229 HN HIS 132 14.237 13.864 17.896 1.00 60.21 A ATOM 2230 CA HIS 132 15.916 12.960 18.817 1.00 75.34 A ATOM 2231 HA HIS 132 16.845 12.603 18.400 1.00 41.03 A ATOM 2232 CB HIS 132 16.222 13.931 19.957 1.00 70.00 A ATOM 2233 HB1 HIS 132 16.385 13.369 20.866 1.00 42.44 A ATOM 2234 HB2 HIS 132 15.379 14.592 20.095 1.00 72.25 A ATOM 2235 CG HIS 132 17.434 14.777 19.714 1.00 54.12 A ATOM 2236 ND1 HIS 132 18.680 14.249 19.452 1.00 61.02 A ATOM 2237 HD1 HIS 132 18.898 13.295 19.400 1.00 2.42 A ATOM 2238 CD2 HIS 132 17.584 16.122 19.692 1.00 4.12 A ATOM 2239 HD2 HIS 132 16.809 16.858 19.858 1.00 65.43 A ATOM 2240 CE1 HIS 132 19.546 15.232 19.281 1.00 14.43 A ATOM 2241 HE1 HIS 132 20.597 15.119 19.064 1.00 70.23 A ATOM 2242 NE2 HIS 132 18.906 16.379 19.422 1.00 51.44 A ATOM 2243 HE2 HIS 132 19.292 17.265 19.257 1.00 37.88 A ATOM 2244 C HIS 132 15.125 11.767 19.347 1.00 44.12 A ATOM 2245 O HIS 132 15.676 10.684 19.547 1.00 22.01 A ATOM 2246 N HIS 133 13.832 11.974 19.573 1.00 31.41 A ATOM 2247 HN HIS 133 13.451 12.858 19.394 1.00 11.32 A ATOM 2248 CA HIS 133 12.966 10.915 20.080 1.00 0.15 A ATOM 2249 HA HIS 133 13.278 10.686 21.088 1.00 14.43 A ATOM 2250 CB HIS 133 11.511 11.385 20.104 1.00 22.21 A ATOM 2251 HB1 HIS 133 10.865 10.527 20.224 1.00 14.44 A ATOM 2252 HB2 HIS 133 11.282 11.874 19.168 1.00 25.55 A ATOM 2253 CG HIS 133 11.211 12.348 21.211 1.00 74.01 A ATOM 2254 ND1 HIS 133 11.921 13.513 21.408 1.00 11.22 A ATOM 2255 HD1 HIS 133 12.674 13.823 20.864 1.00 50.42 A ATOM 2256 CD2 HIS 133 10.268 12.314 22.182 1.00 4.42 A ATOM 2257 HD2 HIS 133 9.529 11.540 22.333 1.00 25.21 A ATOM 2258 CE1 HIS 133 11.430 14.154 22.454 1.00 71.11 A ATOM 2259 HE1 HIS 133 11.787 15.095 22.844 1.00 4.00 A ATOM 2260 NE2 HIS 133 10.426 13.448 22.941 1.00 32.35 A ATOM 2261 HE2 HIS 133 9.829 13.738 23.662 1.00 37.88 A ATOM 2262 C HIS 133 13.092 9.655 19.230 1.00 45.15 A ATOM 2263 O HIS 133 13.303 9.730 18.019 1.00 64.04 A ATOM 2264 N HIS 134 12.963 8.498 19.871 1.00 1.00 A ATOM 2265 HN HIS 134 12.796 8.503 20.836 1.00 11.14 A ATOM 2266 HA HIS 134 13.456 7.413 18.186 1.00 43.11 A ATOM 2267 CB HIS 134 14.016 6.284 19.914 1.00 21.44 A ATOM 2268 HB1 HIS 134 13.725 5.261 19.725 1.00 74.43 A ATOM 2269 HB2 HIS 134 13.952 6.481 20.974 1.00 32.54 A ATOM 2270 CG HIS 134 15.448 6.439 19.505 1.00 64.44 A ATOM 2271 ND1 HIS 134 16.179 7.584 19.741 1.00 61.22 A ATOM 2272 HD1 HIS 134 15.849 8.392 20.186 1.00 71.34 A ATOM 2273 CD2 HIS 134 16.286 5.584 18.872 1.00 33.52 A ATOM 2274 HD2 HIS 134 16.048 4.584 18.535 1.00 41.32 A ATOM 2275 CE1 HIS 134 17.403 7.427 19.270 1.00 44.32 A ATOM 2276 HE1 HIS 134 18.196 8.159 19.312 1.00 13.54 A ATOM 2277 NE2 HIS 134 17.494 6.222 18.738 1.00 22.40 A ATOM 2278 HE2 HIS 134 18.264 5.884 18.234 1.00 37.88 A ATOM 2279 CA HIS 134 13.063 7.221 19.173 1.00 41.43 A ATOM 2280 C HIS 134 11.691 6.568 19.036 1.00 22.22 A ATOM 2281 O HIS 134 11.324 6.163 17.934 1.00 25.12 A ATOM 2282 OXT HIS 134 10.986 6.464 20.065 1.00 37.88 A ATOM 2283 X ANI 900 -1.487 17.604 -33.244 1.00 0.00 ATOM 2284 Y ANI 900 -2.243 16.544 -32.692 1.00 0.00 ATOM 2285 Z ANI 900 -2.699 17.206 -33.855 1.00 0.00 ATOM 2286 OO ANI 900 -2.432 17.495 -32.935 1.00 0.00 ATOM 2287 X ANI 901 -23.050 43.622 -43.934 1.00 0.00 ATOM 2288 Y ANI 901 -22.150 42.823 -43.191 1.00 0.00 ATOM 2289 Z ANI 901 -21.834 44.173 -43.468 1.00 0.00 ATOM 2290 OO ANI 901 -22.084 43.378 -44.020 1.00 0.00 ATOM 2291 OH2 TIP3 1 -12.235 -14.776 0.571 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 1 -12.284 -15.731 0.534 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 1 -13.061 -14.508 0.973 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 2 -14.953 -10.908 1.678 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 2 -14.753 -10.484 0.843 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 2 -14.297 -10.565 2.285 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 3 -16.510 -13.150 -0.642 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 3 -17.112 -13.705 -1.137 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 3 -16.229 -12.483 -1.268 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 4 -15.240 -12.896 -4.675 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 4 -15.396 -12.218 -5.332 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 4 -14.308 -12.824 -4.472 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 5 -12.524 -12.246 -4.446 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 5 -12.546 -12.061 -3.507 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 5 -11.834 -11.677 -4.787 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 6 -12.961 -12.679 -1.524 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 6 -13.448 -13.414 -1.895 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 6 -12.412 -13.072 -0.846 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 7 -13.056 -17.794 -4.600 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 7 -12.222 -18.172 -4.881 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 7 -12.944 -16.851 -4.719 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 8 -14.569 -14.916 -2.293 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 8 -15.217 -14.591 -1.668 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 8 -15.087 -15.356 -2.968 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 9 -21.136 -12.853 0.887 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 9 -20.951 -13.187 1.765 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 9 -20.289 -12.544 0.565 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 10 -18.791 -11.568 0.131 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 10 -18.114 -12.200 -0.109 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 10 -18.469 -11.166 0.939 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 11 -20.867 -11.508 -3.819 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 11 -21.324 -10.979 -4.473 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 11 -20.704 -10.905 -3.094 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 12 -18.540 -12.630 -2.874 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 12 -19.444 -12.465 -3.140 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 12 -18.111 -11.777 -2.940 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 13 -15.935 -11.060 -2.579 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 13 -16.117 -10.144 -2.790 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 13 -15.759 -11.470 -3.426 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 14 -14.588 -13.625 1.284 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 14 -15.370 -13.811 0.764 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 14 -14.660 -12.696 1.501 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 15 -13.152 -15.007 4.449 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 15 -13.079 -14.068 4.619 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 15 -12.247 -15.312 4.392 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 16 -20.842 -11.430 8.109 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 16 -20.917 -11.551 7.163 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 16 -20.809 -10.480 8.228 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 17 -17.740 -12.276 5.112 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 17 -17.365 -13.020 4.641 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 17 -17.736 -12.546 6.030 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 18 -18.071 -12.350 7.861 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 18 -19.006 -12.250 8.040 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 18 -17.791 -13.059 8.439 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 19 -14.358 -14.749 6.998 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 19 -14.731 -15.575 7.308 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 19 -14.081 -14.932 6.101 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 20 -16.233 -13.981 3.638 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 20 -15.950 -14.775 4.091 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 20 -15.493 -13.748 3.077 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 21 -23.160 -11.165 5.065 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 21 -22.227 -11.007 5.209 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 21 -23.424 -10.490 4.440 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 22 -12.524 -12.246 14.410 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 22 -12.546 -12.061 15.349 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 22 -11.834 -11.677 14.069 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 23 -15.786 -12.156 9.982 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 23 -15.133 -12.503 9.374 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 23 -15.275 -11.667 10.628 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 24 -20.515 -11.939 5.310 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 24 -19.649 -11.573 5.132 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 24 -20.762 -12.379 4.497 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 25 -13.806 -12.376 7.990 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 25 -14.000 -13.124 7.425 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 25 -13.845 -11.618 7.406 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 26 -15.887 3.151 -23.473 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 26 -16.829 3.209 -23.312 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 26 -15.611 4.057 -23.610 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 27 -14.790 1.399 -19.862 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 27 -14.650 0.808 -20.601 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 27 -14.622 2.272 -20.218 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 28 -12.948 -2.261 -21.796 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 28 -13.600 -1.566 -21.707 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 28 -12.483 -2.051 -22.606 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 29 -12.235 4.080 -18.285 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 29 -12.284 3.125 -18.322 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 29 -13.061 4.348 -17.883 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 30 -14.953 7.948 -17.178 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 30 -14.753 8.372 -18.013 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 30 -14.297 8.291 -16.571 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 31 -15.005 -0.437 -21.947 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 31 -14.363 0.020 -22.490 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 31 -15.835 -0.324 -22.409 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 32 -12.524 6.610 -23.302 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 32 -12.546 6.795 -22.363 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 32 -11.834 7.179 -23.643 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 33 -12.961 6.177 -20.380 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 33 -13.448 5.442 -20.751 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 33 -12.412 5.784 -19.702 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 34 -14.510 1.967 -15.742 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 34 -15.376 1.862 -15.348 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 34 -14.134 2.726 -15.295 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 35 -13.056 1.062 -23.456 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 35 -12.222 0.684 -23.737 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 35 -12.944 2.005 -23.575 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 36 -14.569 3.940 -21.149 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 36 -15.217 4.265 -20.524 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 36 -15.087 3.500 -21.824 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 37 -14.172 -1.232 -18.202 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 37 -13.589 -1.966 -18.011 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 37 -13.608 -0.460 -18.156 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 38 -12.675 -3.329 -17.518 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 38 -13.538 -3.708 -17.683 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 38 -12.071 -4.068 -17.592 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 39 -14.588 5.231 -17.572 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 39 -15.370 5.045 -18.092 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 39 -14.660 6.160 -17.355 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 40 -19.038 -0.883 -8.686 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 40 -18.949 0.061 -8.818 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 40 -19.677 -1.158 -9.344 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 41 -20.105 -1.628 -5.267 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 41 -20.143 -2.274 -4.562 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 41 -20.428 -2.094 -6.038 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 42 -19.288 6.416 -6.753 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 42 -18.668 5.739 -7.026 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 42 -19.496 6.198 -5.845 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 43 -21.716 0.805 -4.861 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 43 -21.412 0.119 -5.455 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 43 -20.994 0.923 -4.243 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 44 -13.053 -7.594 -4.000 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 44 -13.004 -6.984 -3.264 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 44 -12.627 -7.133 -4.723 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 45 -18.575 -4.801 -4.533 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 45 -18.432 -5.748 -4.513 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 45 -18.681 -4.594 -5.462 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 46 -17.698 -6.569 -8.860 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 46 -17.052 -6.898 -8.235 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 46 -17.188 -6.051 -9.483 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 47 -19.241 1.718 -9.643 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 47 -19.537 1.396 -10.494 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 47 -19.565 2.618 -9.601 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 48 -24.041 -0.106 -2.899 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 48 -24.781 0.492 -2.796 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 48 -23.327 0.448 -3.215 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 49 -15.934 -7.278 -6.879 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 49 -16.149 -8.044 -6.347 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 49 -15.278 -6.806 -6.366 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 50 -15.587 -8.563 -3.200 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 50 -16.323 -7.952 -3.238 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 50 -14.903 -8.148 -3.726 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 51 -17.635 4.932 -7.992 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 51 -17.210 4.225 -8.477 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 51 -17.318 5.733 -8.409 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 52 -16.476 2.833 -9.483 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 52 -16.733 2.143 -10.095 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 52 -16.405 2.390 -8.638 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 53 -16.911 -1.429 -10.282 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 53 -17.643 -1.201 -9.709 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 53 -16.464 -2.143 -9.827 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 54 -23.899 2.629 -5.718 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 54 -23.994 2.051 -6.475 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 54 -23.170 2.258 -5.222 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 55 -24.019 2.369 -0.049 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 55 -24.331 3.151 0.407 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 55 -24.669 2.216 -0.735 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 56 -20.314 4.470 -9.162 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 56 -19.840 4.765 -8.384 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 56 -20.877 5.208 -9.395 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 57 -13.152 3.849 -14.407 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 57 -13.079 4.788 -14.237 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 57 -12.247 3.544 -14.464 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 58 -21.256 3.654 -0.553 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 58 -21.169 4.480 -0.078 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 58 -22.120 3.324 -0.304 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 59 -17.740 6.580 -13.744 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 59 -17.365 5.836 -14.215 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 59 -17.736 6.310 -12.826 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 60 -18.071 6.506 -10.995 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 60 -19.006 6.606 -10.816 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 60 -17.791 5.797 -10.417 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 61 -20.652 -9.851 -1.582 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 61 -20.232 -10.266 -0.829 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 61 -21.585 -10.029 -1.465 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 62 -16.563 -1.234 -14.967 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 62 -16.521 -1.457 -15.897 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 62 -15.714 -0.836 -14.777 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 63 -19.691 -3.970 -10.132 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 63 -20.100 -3.155 -10.424 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 63 -18.971 -4.110 -10.747 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 64 -18.687 -4.524 -7.318 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 64 -18.882 -3.919 -8.033 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 64 -18.505 -5.358 -7.753 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 65 -19.423 -2.886 -2.647 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 65 -19.099 -3.517 -3.290 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 65 -19.863 -3.421 -1.986 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 66 -18.240 -7.724 -4.599 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 66 -18.917 -7.593 -3.935 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 66 -18.726 -7.879 -5.409 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 67 -21.325 -4.171 -5.976 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 67 -20.761 -4.718 -6.523 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 67 -21.473 -4.693 -5.187 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 68 -22.699 -5.783 -3.562 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 68 -23.534 -5.329 -3.452 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 68 -22.175 -5.507 -2.810 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 69 -23.005 -2.297 1.420 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 69 -23.301 -2.463 0.525 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 69 -22.074 -2.517 1.410 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 70 -12.654 -4.679 -12.323 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 70 -13.208 -5.075 -12.995 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 70 -12.553 -3.769 -12.600 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 71 -14.358 4.107 -11.858 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 71 -14.731 3.281 -11.548 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 71 -14.081 3.924 -12.755 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 72 -23.228 0.906 -9.127 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 72 -23.469 1.831 -9.085 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 72 -23.968 0.447 -8.731 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 73 -22.713 5.055 -2.812 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 73 -22.350 5.910 -3.045 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 73 -22.181 4.763 -2.071 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 74 -12.462 6.563 -13.836 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 74 -11.719 7.149 -13.976 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 74 -13.157 7.131 -13.503 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 75 -16.100 0.756 -11.811 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 75 -16.377 0.028 -11.255 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 75 -15.173 0.875 -11.605 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 76 -19.653 -7.320 -2.345 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 76 -18.955 -7.246 -1.695 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 76 -20.034 -8.184 -2.190 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 77 -21.133 -4.954 -1.228 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 77 -21.014 -4.380 -0.471 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 77 -20.478 -5.642 -1.113 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 78 -24.929 5.550 3.173 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 78 -24.161 5.091 3.514 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 78 -24.950 5.324 2.243 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 79 -22.964 0.411 1.940 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 79 -23.292 0.682 1.082 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 79 -22.812 -0.530 1.852 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 80 -24.840 -3.350 -0.699 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 80 -25.458 -2.675 -0.418 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 80 -24.496 -3.029 -1.532 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 81 -13.668 -0.645 -15.347 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 81 -13.941 -1.070 -16.160 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 81 -13.628 0.286 -15.564 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 82 -24.500 -5.995 0.384 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 82 -24.350 -6.724 -0.219 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 82 -24.498 -5.218 -0.175 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 83 -24.088 -7.625 -2.124 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 83 -23.552 -7.174 -2.776 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 83 -24.940 -7.733 -2.546 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 84 -22.506 -2.186 -1.884 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 84 -21.755 -2.342 -2.457 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 84 -22.845 -1.334 -2.160 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 85 -26.022 -4.797 2.295 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 85 -26.789 -5.329 2.085 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 85 -25.343 -5.107 1.696 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 86 -23.282 -10.169 -1.692 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 86 -23.380 -9.222 -1.798 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 86 -24.025 -10.541 -2.168 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 87 -22.018 -5.847 1.871 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 87 -22.254 -6.067 2.773 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 87 -22.801 -6.054 1.362 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 88 -23.060 -10.875 0.979 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 88 -22.348 -11.515 0.965 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 88 -23.161 -10.608 0.065 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 89 -22.707 -9.192 3.033 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 89 -22.838 -9.668 2.212 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 89 -23.306 -8.448 2.977 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 90 -14.198 -4.582 -14.606 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 90 -14.101 -3.915 -15.286 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 90 -14.338 -5.398 -15.088 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 91 -15.318 -5.619 -10.523 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 91 -15.038 -6.526 -10.398 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 91 -14.559 -5.185 -10.912 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 92 -14.704 -8.356 -10.474 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 92 -14.522 -8.805 -9.649 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 92 -15.304 -8.941 -10.938 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 93 -12.838 -8.289 -13.946 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 93 -12.425 -9.010 -14.422 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 93 -12.156 -7.619 -13.888 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 94 -21.136 6.003 0.887 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 94 -20.951 5.669 1.765 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 94 -20.289 6.312 0.565 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 95 -18.791 7.288 0.131 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 95 -18.114 6.656 -0.109 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 95 -18.469 7.690 0.939 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 96 -20.867 7.348 -3.819 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 96 -21.324 7.877 -4.473 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 96 -20.704 7.951 -3.094 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 97 -18.540 6.226 -2.874 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 97 -19.444 6.391 -3.140 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 97 -18.111 7.079 -2.940 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 98 -23.952 5.663 -5.611 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 98 -23.739 4.775 -5.898 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 98 -23.887 5.629 -4.656 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 99 -15.301 -10.566 -6.354 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 99 -14.697 -10.018 -6.855 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 99 -16.170 -10.246 -6.594 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 100 -13.574 -9.427 -8.020 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 100 -12.962 -9.941 -8.547 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 100 -13.191 -8.549 -7.997 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 101 -17.980 -10.082 -7.182 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 101 -17.904 -9.987 -8.131 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 101 -18.256 -10.990 -7.053 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 102 -17.764 -10.842 2.591 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 102 -17.688 -11.268 3.445 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 102 -16.871 -10.828 2.249 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 103 -19.288 6.416 12.103 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 103 -18.668 5.739 11.830 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 103 -19.496 6.198 13.011 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 104 -21.716 0.805 13.995 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 104 -21.412 0.119 13.401 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 104 -20.994 0.923 14.613 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 105 -13.053 -7.594 14.856 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 105 -13.004 -6.984 15.592 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 105 -12.627 -7.133 14.133 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 106 -25.420 -6.700 11.595 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 106 -25.377 -5.840 11.177 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 106 -25.878 -7.252 10.962 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 107 -17.698 -6.569 9.996 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 107 -17.052 -6.898 10.621 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 107 -17.188 -6.051 9.373 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 108 -23.644 -2.753 11.573 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 108 -23.028 -3.279 12.082 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 108 -24.230 -3.393 11.169 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 109 -12.661 -6.116 17.092 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 109 -13.350 -5.458 16.997 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 109 -12.646 -6.313 18.029 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 110 -24.041 -0.106 15.957 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 110 -24.781 0.492 16.060 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 110 -23.327 0.448 15.641 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 111 -15.934 -7.278 11.977 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 111 -16.149 -8.044 12.509 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 111 -15.278 -6.806 12.490 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 112 -15.587 -8.563 15.656 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 112 -16.323 -7.952 15.618 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 112 -14.903 -8.148 15.130 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 113 -17.014 -3.255 17.642 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 113 -16.934 -2.492 18.214 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 113 -17.615 -2.976 16.951 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 114 -25.266 -0.799 10.457 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 114 -25.596 -1.169 9.638 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 114 -24.678 -1.469 10.803 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 115 -23.899 2.629 13.138 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 115 -23.994 2.051 12.381 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 115 -23.170 2.258 13.634 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 116 -24.899 -2.030 14.090 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 116 -24.334 -1.909 13.327 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 116 -24.580 -1.393 14.729 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 117 -20.314 4.470 9.694 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 117 -19.840 4.765 10.472 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 117 -20.877 5.208 9.461 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 118 -14.342 -10.517 6.072 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 118 -15.241 -10.378 6.367 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 118 -14.090 -9.686 5.670 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 119 -26.276 -1.729 8.046 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 119 -26.568 -0.961 7.555 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 119 -26.950 -2.389 7.883 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 120 -21.256 3.654 18.303 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 120 -21.169 4.480 18.778 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 120 -22.120 3.324 18.552 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 121 -20.842 7.426 8.109 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 121 -20.917 7.305 7.163 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 121 -20.809 8.376 8.228 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 122 -15.083 -4.427 19.907 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 122 -15.490 -3.946 19.187 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 122 -15.042 -5.332 19.600 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 123 -17.326 -6.095 18.128 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 123 -17.840 -6.221 18.925 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 123 -17.481 -5.183 17.883 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 124 -25.224 -4.607 14.995 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 124 -25.866 -4.648 15.704 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 124 -25.187 -3.681 14.757 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 125 -25.227 -4.386 9.907 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 125 -26.120 -4.727 9.848 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 125 -24.776 -4.763 9.151 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 126 -20.589 -3.795 20.212 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 126 -21.152 -4.499 20.532 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 126 -19.763 -3.915 20.679 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 127 -24.108 -6.913 3.660 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 127 -24.539 -7.358 4.390 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 127 -24.826 -6.541 3.148 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 128 -22.645 -6.959 10.993 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 128 -23.556 -6.902 11.282 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 128 -22.140 -7.019 11.804 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 129 -24.164 -5.330 7.476 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 129 -23.232 -5.201 7.654 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 129 -24.379 -4.660 6.827 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 130 -18.240 -7.724 14.257 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 130 -18.917 -7.593 14.921 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 130 -18.726 -7.879 13.447 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 131 -25.490 -4.135 5.043 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 131 -26.032 -4.515 4.352 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 131 -24.656 -3.941 4.614 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 132 -14.953 7.948 20.534 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 132 -14.753 8.372 19.699 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 132 -14.297 8.291 21.141 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 133 -26.323 -8.035 9.298 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 133 -26.640 -8.937 9.263 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 133 -25.542 -8.033 8.746 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 134 -22.699 -5.783 15.294 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 134 -23.534 -5.329 15.404 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 134 -22.175 -5.507 16.046 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 135 -20.635 0.614 18.216 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 135 -20.981 0.233 19.022 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 135 -20.835 1.548 18.287 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 136 -18.385 3.076 18.166 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 136 -19.286 3.259 17.898 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 136 -18.351 3.335 19.087 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 137 -24.655 3.243 10.153 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 137 -24.128 4.016 9.952 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 137 -25.535 3.468 9.851 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 138 -23.228 0.906 9.729 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 138 -23.469 1.831 9.771 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 138 -23.968 0.447 10.125 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 139 -22.713 5.055 16.044 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 139 -22.350 5.910 15.811 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 139 -22.181 4.763 16.785 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 140 -24.544 5.928 9.274 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 140 -25.494 6.033 9.326 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 140 -24.193 6.748 9.619 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 141 -19.169 1.154 15.745 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 141 -19.595 0.927 16.571 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 141 -18.588 0.416 15.562 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 142 -16.510 5.706 18.214 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 142 -17.112 5.151 17.719 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 142 -16.229 6.373 17.588 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 143 -22.875 3.195 3.266 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 143 -22.636 2.447 2.718 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 143 -23.144 2.807 4.098 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 144 -23.938 2.765 5.722 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 144 -23.791 2.245 6.512 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 144 -23.941 3.672 6.028 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 145 -27.485 0.018 6.232 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 145 -28.171 0.370 6.799 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 145 -26.962 0.781 5.986 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 146 -19.653 -7.320 16.511 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 146 -18.955 -7.246 17.161 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 146 -20.034 -8.184 16.666 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 147 -18.869 -7.668 7.608 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 147 -18.649 -7.196 6.805 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 147 -18.311 -7.273 8.279 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 148 -21.133 -4.954 17.628 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 148 -21.014 -4.380 18.385 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 148 -20.478 -5.642 17.743 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 149 -20.785 -8.859 9.381 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 149 -21.132 -8.241 10.026 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 149 -20.127 -8.358 8.900 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 150 -23.862 5.506 6.453 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 150 -23.701 6.306 5.952 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 150 -24.059 5.813 7.338 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 151 -25.128 -7.796 6.069 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 151 -25.211 -6.907 6.415 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 151 -24.238 -8.061 6.300 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 152 -14.929 -7.047 18.463 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 152 -15.845 -6.784 18.375 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 152 -14.593 -7.050 17.566 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 153 -18.352 3.930 20.758 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 153 -18.703 3.074 21.001 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 153 -17.626 4.073 21.365 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 154 -25.278 0.785 3.495 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 154 -25.214 -0.009 4.026 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 154 -24.625 0.666 2.806 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 155 -17.229 0.327 18.179 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 155 -16.484 0.915 18.059 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 155 -17.986 0.909 18.242 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 156 -24.129 -1.243 5.801 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 156 -24.588 -1.727 6.487 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 156 -23.874 -1.911 5.165 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 157 -19.820 -0.879 21.435 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 157 -18.867 -0.795 21.407 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 157 -19.980 -1.590 22.054 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 158 -22.506 -2.186 16.972 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 158 -21.755 -2.342 16.399 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 158 -22.845 -1.334 16.696 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 159 -16.774 -1.582 20.078 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 159 -17.055 -0.873 19.500 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 159 -15.831 -1.655 19.927 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 160 -23.160 7.691 5.065 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 160 -22.227 7.849 5.209 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 160 -23.424 8.366 4.440 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 161 -12.675 -3.329 20.194 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 161 -13.538 -3.708 20.029 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 161 -12.071 -4.068 20.120 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 162 -14.677 -4.301 16.545 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 162 -15.520 -4.033 16.911 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 162 -14.234 -3.479 16.334 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 163 -15.786 6.700 9.982 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 163 -15.133 6.353 9.374 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 163 -15.275 7.189 10.628 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 164 -18.791 7.288 18.987 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 164 -18.114 6.656 18.747 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 164 -18.469 7.690 19.795 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 165 -20.867 7.348 15.037 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 165 -21.324 7.877 14.383 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 165 -20.704 7.951 15.762 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 166 -18.540 6.226 15.982 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 166 -19.444 6.391 15.716 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 166 -18.111 7.079 15.916 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 167 -15.935 7.796 16.277 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 167 -16.117 8.712 16.066 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 167 -15.759 7.386 15.430 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 168 -23.952 5.663 13.245 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 168 -23.739 4.775 12.958 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 168 -23.887 5.629 14.200 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 169 -20.443 -8.673 12.390 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 169 -21.118 -9.302 12.645 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 169 -19.879 -9.157 11.787 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 170 -15.301 -10.566 12.502 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 170 -14.697 -10.018 12.001 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 170 -16.170 -10.246 12.262 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 171 -23.537 -10.112 10.025 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 171 -22.663 -9.724 9.995 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 171 -23.673 -10.327 10.948 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 172 -17.980 -10.082 11.674 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 172 -17.904 -9.987 10.725 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 172 -18.256 -10.990 11.803 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 173 -16.627 -10.056 7.367 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 173 -17.330 -9.442 7.157 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 173 -17.072 -10.894 7.498 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 174 -22.393 -8.032 6.915 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 174 -22.215 -8.678 7.598 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 174 -22.447 -7.198 7.382 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 175 -14.588 5.231 20.140 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 175 -15.370 5.045 19.620 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 175 -14.660 6.160 20.357 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 176 -13.152 3.849 23.305 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 176 -13.079 4.788 23.475 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 176 -12.247 3.544 23.248 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 177 -16.563 -1.234 22.745 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 177 -16.521 -1.457 21.815 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 177 -15.714 -0.836 22.935 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 178 -14.358 4.107 25.854 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 178 -14.731 3.281 26.164 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 178 -14.081 3.924 24.957 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 179 -16.966 2.083 23.675 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 179 -16.613 1.703 24.479 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 179 -17.915 1.990 23.761 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 180 -12.462 6.563 23.876 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 180 -11.719 7.149 23.736 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 180 -13.157 7.131 24.209 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 181 -16.100 0.756 25.901 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 181 -16.377 0.028 26.457 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 181 -15.173 0.875 26.107 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 182 -16.233 4.875 22.494 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 182 -15.950 4.081 22.947 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 182 -15.493 5.108 21.933 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 183 -19.926 1.832 22.087 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 183 -20.194 2.012 22.988 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 183 -20.132 0.906 21.956 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 184 -13.668 -0.645 22.365 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 184 -13.941 -1.070 21.552 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 184 -13.628 0.286 22.148 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 185 -13.209 0.224 26.340 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 185 -12.359 0.645 26.468 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 185 -13.204 -0.516 26.948 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 186 -12.547 -1.822 24.555 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 186 -13.068 -1.465 23.836 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 186 -12.580 -1.147 25.233 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 187 -14.198 -4.582 23.106 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 187 -14.101 -3.915 22.426 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 187 -14.338 -5.398 22.624 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 188 -13.053 11.262 -22.856 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 188 -13.004 11.872 -22.120 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 188 -12.627 11.723 -23.579 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 189 -12.661 12.740 -20.620 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 189 -13.350 13.398 -20.715 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 189 -12.646 12.543 -19.683 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 190 -15.083 14.429 -17.805 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 190 -15.490 14.910 -18.525 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 190 -15.042 13.524 -18.112 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 191 -14.929 11.809 -19.249 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 191 -15.845 12.072 -19.337 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 191 -14.593 11.806 -20.146 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 192 -12.675 15.527 -17.518 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 192 -13.538 15.148 -17.683 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 192 -12.071 14.788 -17.592 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 193 -12.394 8.535 -15.813 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 193 -12.044 7.881 -16.419 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 193 -12.247 9.372 -16.253 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 194 -12.874 10.644 -17.464 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 194 -13.791 10.915 -17.500 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 194 -12.751 10.109 -18.248 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 195 -13.873 8.734 -19.645 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 195 -14.686 9.059 -20.033 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 195 -13.640 7.974 -20.178 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 196 -18.575 14.055 -4.533 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 196 -18.432 13.108 -4.513 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 196 -18.681 14.262 -5.462 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 197 -17.698 12.287 -8.860 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 197 -17.052 11.958 -8.235 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 197 -17.188 12.805 -9.483 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 198 -15.934 11.578 -6.879 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 198 -16.149 10.812 -6.347 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 198 -15.278 12.050 -6.366 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 199 -22.584 8.380 -5.734 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 199 -22.701 7.431 -5.788 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 199 -23.439 8.712 -5.461 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 200 -12.948 16.595 -2.940 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 200 -13.600 17.290 -2.851 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 200 -12.483 16.805 -3.750 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 201 -17.014 15.601 -1.214 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 201 -16.934 16.364 -0.642 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 201 -17.615 15.880 -1.905 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 202 -14.342 8.339 -12.784 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 202 -15.241 8.478 -12.489 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 202 -14.090 9.170 -13.186 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 203 -15.083 14.429 1.051 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 203 -15.490 14.910 0.331 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 203 -15.042 13.524 0.744 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 204 -20.652 9.005 -1.582 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 204 -20.232 8.590 -0.829 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 204 -21.585 8.827 -1.465 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 205 -17.326 12.761 -0.728 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 205 -17.840 12.635 0.069 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 205 -17.481 13.673 -0.973 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 206 -18.240 11.132 -4.599 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 206 -18.917 11.263 -3.935 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 206 -18.726 10.977 -5.409 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 207 -15.005 18.419 -3.091 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 207 -14.363 18.876 -3.634 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 207 -15.835 18.532 -3.553 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 208 -12.654 14.177 -12.323 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 208 -13.208 13.781 -12.995 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 208 -12.553 15.087 -12.600 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 209 -19.653 11.536 -2.345 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 209 -18.955 11.610 -1.695 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 209 -20.034 10.672 -2.190 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 210 -18.090 14.485 3.144 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 210 -17.898 13.554 3.033 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 210 -17.233 14.910 3.134 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 211 -16.774 17.274 1.222 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 211 -17.055 17.983 0.644 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 211 -15.831 17.201 1.071 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 212 -19.302 12.136 0.947 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 212 -20.250 12.168 1.079 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 212 -18.990 11.511 1.601 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 213 -17.668 10.770 2.952 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 213 -17.765 9.818 2.946 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 213 -17.990 11.039 3.813 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 214 -23.060 7.981 0.979 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 214 -22.348 7.341 0.965 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 214 -23.161 8.248 0.065 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 215 -22.707 9.664 3.033 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 215 -22.838 9.188 2.212 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 215 -23.306 10.408 2.977 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 216 -12.547 17.034 -13.157 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 216 -13.068 17.391 -13.876 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 216 -12.580 17.709 -12.479 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 217 -14.198 14.274 -14.606 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 217 -14.101 14.941 -15.286 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 217 -14.338 13.458 -15.088 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 218 -14.172 17.624 0.654 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 218 -13.589 16.890 0.845 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 218 -13.608 18.396 0.700 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 219 -12.675 15.527 1.338 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 219 -13.538 15.148 1.173 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 219 -12.071 14.788 1.264 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 220 -14.950 11.682 -15.489 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 220 -14.340 11.310 -14.852 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 220 -15.787 11.260 -15.293 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 221 -15.318 13.237 -10.523 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 221 -15.038 12.330 -10.398 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 221 -14.559 13.671 -10.912 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 222 -14.706 13.818 -5.087 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 222 -13.773 14.030 -5.121 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 222 -14.941 13.920 -4.164 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 223 -14.677 14.555 -2.311 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 223 -15.520 14.823 -1.945 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 223 -14.234 15.377 -2.522 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 224 -14.704 10.500 -10.474 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 224 -14.522 10.051 -9.649 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 224 -15.304 9.915 -10.938 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 225 -17.980 8.774 -7.182 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 225 -17.904 8.869 -8.131 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 225 -18.256 7.866 -7.053 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 226 -16.627 8.800 -11.489 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 226 -17.330 9.414 -11.699 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 226 -17.072 7.962 -11.358 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 227 -19.038 17.973 10.170 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 227 -18.949 18.917 10.038 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 227 -19.677 17.698 9.512 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 228 -16.399 20.167 11.891 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 228 -16.840 19.447 12.341 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 228 -16.412 20.888 12.521 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 229 -13.053 11.262 14.856 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 229 -13.004 11.872 15.592 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 229 -12.627 11.723 14.133 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 230 -17.698 12.287 9.996 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 230 -17.052 11.958 10.621 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 230 -17.188 12.805 9.373 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 231 -12.661 12.740 17.092 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 231 -13.350 13.398 16.997 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 231 -12.646 12.543 18.029 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 232 -15.934 11.578 11.977 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 232 -16.149 10.812 12.509 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 232 -15.278 12.050 12.490 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 233 -15.587 10.293 15.656 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 233 -16.323 10.904 15.618 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 233 -14.903 10.708 15.130 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 234 -22.584 8.380 13.122 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 234 -22.701 7.431 13.068 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 234 -23.439 8.712 13.395 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 235 -16.911 17.427 8.574 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 235 -17.643 17.655 9.147 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 235 -16.464 16.713 9.029 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 236 -18.040 16.589 6.259 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 236 -17.461 16.739 7.006 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 236 -17.626 17.060 5.536 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 237 -16.563 17.622 3.889 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 237 -16.521 17.399 2.959 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 237 -15.714 18.020 4.079 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 238 -20.990 11.498 4.559 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 238 -21.244 11.517 5.482 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 238 -21.247 10.626 4.258 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 239 -19.691 14.886 8.724 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 239 -20.100 15.701 8.432 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 239 -18.971 14.746 8.109 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 240 -18.687 14.332 11.538 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 240 -18.882 14.937 10.823 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 240 -18.505 13.498 11.103 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 241 -18.257 12.100 5.178 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 241 -19.195 12.212 5.027 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 241 -17.960 12.957 5.484 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 242 -17.539 13.967 6.839 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 242 -16.647 13.830 7.158 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 242 -17.482 14.758 6.302 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 243 -16.100 19.612 7.045 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 243 -16.377 18.884 7.601 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 243 -15.173 19.731 7.251 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 244 -18.869 11.188 7.608 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 244 -18.649 11.660 6.805 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 244 -18.311 11.583 8.279 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 245 -20.785 9.997 9.381 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 245 -21.132 10.615 10.026 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 245 -20.127 10.498 8.900 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 246 -16.327 15.560 12.559 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 246 -17.124 15.145 12.230 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 246 -15.882 14.869 13.050 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 247 -13.668 18.211 3.509 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 247 -13.941 17.786 2.696 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 247 -13.628 19.142 3.292 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 248 -13.209 19.080 7.484 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 248 -12.359 19.501 7.612 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 248 -13.204 18.340 8.092 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 249 -14.198 14.274 4.250 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 249 -14.101 14.941 3.570 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 249 -14.338 13.458 3.768 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 250 -14.950 11.682 3.367 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 250 -14.340 11.310 4.004 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 250 -15.787 11.260 3.563 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 251 -14.706 13.818 13.769 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 251 -13.773 14.030 13.735 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 251 -14.941 13.920 14.692 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 252 -12.394 8.535 21.899 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 252 -12.044 7.881 21.293 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 252 -12.247 9.372 21.459 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 253 -14.704 10.500 8.382 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 253 -14.522 10.051 9.207 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 253 -15.304 9.915 7.918 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 254 -12.874 10.644 20.248 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 254 -13.791 10.915 20.212 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 254 -12.751 10.109 19.464 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 255 -13.873 8.734 18.067 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 255 -14.686 9.059 17.679 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 255 -13.640 7.974 17.534 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 256 -20.443 10.183 12.390 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 256 -21.118 9.554 12.645 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 256 -19.879 9.699 11.787 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 257 -15.301 8.290 12.502 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 257 -14.697 8.838 12.001 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 257 -16.170 8.610 12.262 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 258 -13.574 9.429 10.836 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 258 -12.962 8.915 10.309 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 258 -13.191 10.307 10.859 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 259 -17.980 8.774 11.674 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 259 -17.904 8.869 10.725 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 259 -18.256 7.866 11.803 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 260 -16.627 8.800 7.367 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 260 -17.330 9.414 7.157 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 260 -17.072 7.962 7.498 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 261 -22.393 10.824 6.915 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 261 -22.215 10.178 7.598 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 261 -22.447 11.658 7.382 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 262 -6.924 -14.415 -18.141 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 262 -6.916 -14.551 -19.089 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 262 -7.840 -14.533 -17.889 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 263 6.621 -14.776 -18.285 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 263 6.572 -15.731 -18.322 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 263 5.795 -14.508 -17.883 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 264 -2.400 -15.202 -19.409 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 264 -2.313 -14.376 -18.934 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 264 -3.264 -15.532 -19.160 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 265 3.903 -10.908 -17.178 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 265 4.103 -10.484 -18.013 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 265 4.559 -10.565 -16.571 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 266 -3.857 -13.801 -21.668 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 266 -3.494 -12.946 -21.901 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 266 -3.325 -14.093 -20.927 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 267 2.346 -13.150 -19.498 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 267 1.744 -13.705 -19.993 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 267 2.627 -12.483 -20.124 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 268 -10.670 -12.225 -17.303 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 268 -10.130 -12.442 -16.544 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 268 -11.151 -13.031 -17.493 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 269 -6.073 -13.306 -15.683 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 269 -5.305 -13.765 -15.342 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 269 -6.094 -13.532 -16.613 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 270 0.504 -14.926 -16.954 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 270 0.153 -15.782 -16.711 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 270 1.230 -14.783 -16.347 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 271 -0.964 -19.735 -16.277 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 271 -0.011 -19.651 -16.305 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 271 -1.124 -20.446 -15.658 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 272 5.895 -12.679 -20.380 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 272 5.408 -13.414 -20.751 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 272 6.444 -13.072 -19.702 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 273 4.346 -16.889 -15.742 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 273 3.480 -16.994 -15.348 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 273 4.722 -16.130 -15.295 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 274 -6.591 -14.252 -20.928 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 274 -7.016 -13.443 -21.211 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 274 -5.686 -14.167 -21.230 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 275 -2.280 -12.853 -17.969 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 275 -2.095 -13.187 -17.091 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 275 -1.433 -12.544 -18.291 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 276 0.065 -11.568 -18.725 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 276 0.742 -12.200 -18.965 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 276 0.387 -11.166 -17.917 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 277 -9.189 -10.996 -20.881 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 277 -9.909 -10.556 -21.332 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 277 -9.555 -11.247 -20.032 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 278 -6.722 -11.396 -21.851 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 278 -7.587 -11.324 -21.447 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 278 -6.777 -10.849 -22.635 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 279 -2.011 -11.508 -22.675 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 279 -2.468 -10.979 -23.329 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 279 -1.848 -10.905 -21.950 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 280 0.316 -12.630 -21.730 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 280 -0.588 -12.465 -21.996 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 280 0.745 -11.777 -21.796 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 281 2.921 -11.060 -21.435 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 281 2.739 -10.144 -21.646 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 281 3.097 -11.470 -22.282 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 282 -5.096 -13.193 -24.467 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 282 -4.883 -14.081 -24.754 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 282 -5.031 -13.227 -23.512 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 283 4.268 -13.625 -17.572 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 283 3.486 -13.811 -18.092 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 283 4.196 -12.696 -17.355 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 284 -8.881 -20.869 -3.674 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 284 -8.839 -21.495 -2.950 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 284 -8.178 -20.246 -3.492 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 285 -10.637 -20.597 -7.620 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 285 -10.423 -21.367 -7.093 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 285 -9.899 -20.508 -8.223 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 286 0.281 -23.657 -4.533 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 286 0.424 -24.604 -4.513 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 286 0.175 -23.450 -5.462 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 287 -4.788 -21.609 -7.283 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 287 -4.172 -22.135 -6.774 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 287 -5.374 -22.249 -7.687 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 288 -6.777 -16.998 -2.112 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 288 -6.783 -16.119 -2.490 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 288 -7.631 -17.081 -1.687 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 289 -10.656 -17.327 -11.330 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 289 -10.928 -17.098 -12.219 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 289 -10.611 -16.489 -10.870 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 290 4.066 -17.457 -1.006 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 290 4.206 -18.048 -1.745 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 290 4.234 -16.584 -1.362 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 291 -1.461 -20.495 -11.234 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 291 -2.173 -19.960 -11.585 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 291 -0.770 -20.439 -11.894 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 292 -1.407 -22.037 -14.195 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 292 -0.706 -22.015 -13.544 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 292 -1.105 -22.665 -14.851 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 293 5.908 -21.117 -2.940 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 293 5.256 -20.422 -2.851 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 293 6.373 -20.907 -3.750 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 294 1.842 -22.111 -1.214 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 294 1.922 -21.348 -0.642 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 294 1.241 -21.832 -1.905 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 295 -6.410 -19.655 -8.399 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 295 -6.740 -20.025 -9.218 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 295 -5.822 -20.325 -8.053 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 296 -6.043 -20.886 -4.766 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 296 -5.478 -20.765 -5.529 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 296 -5.724 -20.249 -4.127 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 297 -5.163 -16.487 -0.049 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 297 -5.475 -15.705 0.407 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 297 -5.813 -16.640 -0.735 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 298 0.816 -21.123 -12.597 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 298 1.395 -20.973 -11.850 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 298 1.230 -20.652 -13.320 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 299 -8.243 -20.289 -0.820 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 299 -8.173 -19.638 -0.122 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 299 -9.134 -20.186 -1.155 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 300 -6.924 -14.415 0.715 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 300 -6.916 -14.551 -0.233 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 300 -7.840 -14.533 0.967 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 301 -7.420 -20.585 -10.810 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 301 -7.712 -19.817 -11.301 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 301 -8.094 -21.245 -10.973 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 302 -11.327 -18.222 -1.995 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 302 -11.828 -18.250 -2.810 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 302 -11.321 -19.128 -1.685 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 303 -11.576 -15.442 -5.111 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 303 -10.630 -15.586 -5.130 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 303 -11.689 -14.658 -4.574 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 304 3.773 -23.283 1.051 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 304 3.366 -22.802 0.331 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 304 3.814 -24.188 0.744 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 305 -9.078 -16.899 -0.952 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 305 -8.861 -17.260 -0.092 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 305 -9.933 -17.273 -1.162 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 306 1.530 -24.951 -0.728 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 306 1.016 -25.077 0.069 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 306 1.375 -24.039 -0.973 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 307 2.293 -20.090 -14.967 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 307 2.335 -20.313 -15.897 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 307 3.142 -19.692 -14.777 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 308 -6.368 -23.463 -3.861 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 308 -7.010 -23.504 -3.152 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 308 -6.331 -22.537 -4.099 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 309 -0.835 -22.826 -10.132 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 309 -1.244 -22.011 -10.424 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 309 -0.115 -22.966 -10.747 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 310 -1.733 -22.651 1.356 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 310 -2.296 -23.355 1.676 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 310 -0.907 -22.771 1.823 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 311 0.169 -23.380 -7.318 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 311 -0.026 -22.775 -8.033 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 311 0.351 -24.214 -7.753 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 312 -8.499 -18.434 1.286 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 312 -7.766 -18.180 1.847 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 312 -9.279 -18.230 1.801 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 313 -2.469 -23.027 -5.976 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 313 -1.905 -23.574 -6.523 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 313 -2.617 -23.549 -5.187 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 314 -3.843 -24.639 -3.562 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 314 -4.678 -24.185 -3.452 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 314 -3.319 -24.363 -2.810 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 315 -3.299 -18.426 -11.877 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 315 -4.043 -18.933 -12.200 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 315 -3.433 -18.377 -10.931 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 316 3.851 -19.293 -3.091 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 316 4.493 -18.836 -3.634 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 316 3.021 -19.180 -3.553 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 317 1.317 -23.745 -12.017 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 317 2.209 -23.882 -11.698 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 317 1.374 -22.954 -12.554 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 318 -8.174 -19.131 -6.108 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 318 -7.429 -19.133 -6.709 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 318 -8.096 -19.955 -5.626 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 319 -4.149 -21.153 1.420 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 319 -4.445 -21.319 0.525 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 319 -3.218 -21.373 1.410 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 320 6.166 -17.735 0.514 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 320 5.314 -17.497 0.147 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 320 6.756 -17.752 -0.239 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 321 1.658 -19.941 -4.836 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 321 0.730 -20.173 -4.863 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 321 2.109 -20.718 -5.166 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 322 -4.372 -17.950 -9.127 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 322 -4.613 -17.025 -9.085 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 322 -5.112 -18.409 -8.731 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 323 1.890 -16.773 -14.037 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 323 2.243 -17.153 -13.233 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 323 0.941 -16.866 -13.951 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 324 -4.019 -15.661 -15.590 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 324 -3.780 -16.409 -16.138 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 324 -4.288 -16.049 -14.758 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 325 -5.082 -16.091 -13.134 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 325 -4.935 -16.611 -12.344 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 325 -5.085 -15.184 -12.828 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 326 -8.629 -18.838 -12.624 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 326 -9.315 -18.486 -12.057 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 326 -8.106 -18.075 -12.870 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 327 -0.797 -26.176 -2.345 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 327 -0.099 -26.102 -1.695 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 327 -1.178 -27.040 -2.190 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 328 -2.277 -23.810 -1.228 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 328 -2.158 -23.236 -0.471 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 328 -1.622 -24.498 -1.113 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 329 2.529 -22.152 -6.297 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 329 1.732 -22.567 -6.626 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 329 2.974 -22.843 -5.806 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 330 -8.013 -16.224 -13.727 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 330 -7.421 -15.525 -13.451 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 330 -7.554 -16.657 -14.446 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 331 -9.959 -14.838 -9.777 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 331 -10.791 -14.365 -9.750 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 331 -9.413 -14.328 -10.376 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 332 -1.981 -13.798 -15.452 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 332 -2.625 -14.429 -15.130 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 332 -1.219 -14.329 -15.684 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 333 2.623 -13.981 -15.218 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 333 2.906 -14.775 -14.765 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 333 3.363 -13.748 -15.779 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 334 -4.108 -18.445 1.940 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 334 -4.436 -18.174 1.082 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 334 -3.956 -19.386 1.852 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 335 -1.070 -17.024 -15.625 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 335 -1.338 -16.844 -14.724 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 335 -1.276 -17.950 -15.756 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 336 -5.273 -20.099 -13.055 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 336 -5.732 -20.583 -12.369 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 336 -5.018 -20.767 -13.691 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 337 -5.984 -22.206 -0.699 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 337 -6.602 -21.531 -0.418 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 337 -5.640 -21.885 -1.532 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 338 -0.964 -19.735 2.579 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 338 -0.011 -19.651 2.551 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 338 -1.124 -20.446 3.198 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 339 -5.644 -24.851 0.384 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 339 -5.494 -25.580 -0.219 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 339 -5.642 -24.074 -0.175 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 340 0.766 -23.227 3.144 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 340 0.958 -24.158 3.033 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 340 1.623 -22.802 3.134 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 341 2.082 -20.438 1.222 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 341 1.801 -19.729 0.644 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 341 3.025 -20.511 1.071 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 342 -3.162 -24.703 1.871 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 342 -3.398 -24.923 2.773 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 342 -3.945 -24.910 1.362 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 343 -0.446 -25.576 0.947 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 343 -1.394 -25.544 1.079 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 343 -0.134 -26.201 1.601 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 344 -12.087 -11.136 -9.231 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 344 -12.734 -11.598 -9.764 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 344 -11.732 -11.808 -8.648 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 345 -11.217 -13.055 -7.426 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 345 -11.551 -13.936 -7.254 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 345 -10.995 -12.710 -6.562 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 346 5.647 -18.632 -11.372 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 346 6.497 -18.211 -11.244 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 346 5.652 -19.372 -10.764 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 347 6.041 -20.579 -9.548 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 347 5.315 -21.058 -9.150 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 347 6.622 -20.373 -8.816 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 348 6.309 -20.678 -13.157 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 348 5.788 -20.321 -13.876 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 348 6.276 -20.003 -12.479 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 349 3.828 -22.058 -8.985 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 349 3.678 -23.003 -9.005 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 349 3.474 -21.777 -8.141 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 350 -11.137 -19.980 -4.975 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 350 -10.953 -20.062 -5.910 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 350 -10.288 -20.104 -4.551 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 351 4.684 -20.088 0.654 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 351 5.267 -20.822 0.845 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 351 5.248 -19.316 0.700 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 352 6.181 -22.185 1.338 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 352 5.318 -22.564 1.173 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 352 6.785 -22.924 1.264 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 353 4.150 -23.894 -5.087 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 353 5.083 -23.682 -5.121 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 353 3.915 -23.792 -4.164 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 354 4.179 -23.157 -2.311 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 354 3.336 -22.889 -1.945 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 354 4.622 -22.335 -2.522 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 355 -9.545 -15.227 1.669 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 355 -10.366 -15.052 1.209 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 355 -9.797 -15.300 2.590 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 356 -10.523 -13.149 -11.943 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 356 -11.208 -13.187 -12.611 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 356 -10.520 -12.236 -11.655 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 357 -8.705 -12.229 -14.918 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 357 -8.973 -11.942 -14.045 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 357 -7.934 -12.775 -14.766 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 358 -0.182 -19.739 10.170 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 358 -0.093 -18.795 10.038 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 358 -0.821 -20.014 9.512 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 359 2.457 -17.545 11.891 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 359 2.016 -18.265 12.341 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 359 2.444 -16.824 12.521 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 360 -0.432 -12.440 12.103 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 360 0.188 -13.117 11.830 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 360 -0.640 -12.658 13.011 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 361 -0.385 -17.138 9.213 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 361 -0.681 -17.460 8.362 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 361 -0.709 -16.238 9.255 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 362 -10.656 -17.327 7.526 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 362 -10.928 -17.098 6.637 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 362 -10.611 -16.489 7.986 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 363 2.969 -15.705 14.239 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 363 2.027 -15.647 14.400 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 363 3.245 -14.799 14.102 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 364 2.380 -16.023 9.373 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 364 2.123 -16.713 8.761 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 364 2.451 -16.466 10.218 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 365 -1.461 -20.495 7.622 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 365 -2.173 -19.960 7.271 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 365 -0.770 -20.439 6.962 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 366 -1.407 -22.037 4.661 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 366 -0.706 -22.015 5.312 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 366 -1.105 -22.665 4.005 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 367 1.945 -20.285 8.574 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 367 1.213 -20.057 9.147 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 367 2.392 -20.999 9.029 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 368 0.266 -15.383 14.824 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 368 0.025 -14.721 15.472 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 368 0.068 -16.217 15.249 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 369 0.816 -21.123 6.259 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 369 1.395 -20.973 7.006 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 369 1.230 -20.652 5.536 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 370 -1.458 -14.386 9.694 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 370 -0.984 -14.091 10.472 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 370 -2.021 -13.648 9.461 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 371 -0.835 -22.826 8.724 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 371 -1.244 -22.011 8.432 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 371 -0.115 -22.966 8.109 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 372 -3.299 -18.426 6.979 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 372 -4.043 -18.933 6.656 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 372 -3.433 -18.377 7.925 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 373 1.317 -23.745 6.839 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 373 2.209 -23.882 7.158 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 373 1.374 -22.954 6.302 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 374 -1.173 -16.967 6.004 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 374 -1.468 -16.141 6.386 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 374 -1.876 -17.587 6.200 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 375 6.202 -23.535 6.533 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 375 5.648 -23.931 5.861 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 375 6.303 -22.625 6.256 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 376 -5.799 -15.613 10.153 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 376 -5.272 -14.840 9.952 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 376 -6.679 -15.388 9.851 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 377 -4.372 -17.950 9.729 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 377 -4.613 -17.025 9.771 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 377 -5.112 -18.409 10.125 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 378 -3.857 -13.801 16.044 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 378 -3.494 -12.946 15.811 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 378 -3.325 -14.093 16.785 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 379 -5.688 -12.928 9.274 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 379 -6.638 -12.823 9.326 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 379 -5.337 -12.108 9.619 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 380 2.346 -13.150 18.214 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 380 1.744 -13.705 17.719 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 380 2.627 -12.483 17.588 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 381 -5.082 -16.091 5.722 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 381 -4.935 -16.611 6.512 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 381 -5.085 -15.184 6.028 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 382 -8.013 -16.224 5.129 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 382 -7.421 -15.525 5.405 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 382 -7.554 -16.657 4.410 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 383 3.616 -12.896 14.181 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 383 3.460 -12.218 13.524 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 383 4.548 -12.824 14.384 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 384 -9.959 -14.838 9.079 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 384 -10.791 -14.365 9.106 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 384 -9.413 -14.328 8.480 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 385 -6.422 -18.071 3.495 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 385 -6.358 -18.865 4.026 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 385 -5.769 -18.190 2.806 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 386 -1.070 -17.024 3.231 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 386 -1.338 -16.844 4.132 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 386 -1.276 -17.950 3.100 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 387 -4.202 -21.856 4.064 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 387 -4.382 -22.010 3.136 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 387 -3.251 -21.748 4.108 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 388 -10.736 -16.529 4.548 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 388 -9.822 -16.450 4.821 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 388 -10.729 -17.216 3.881 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 389 -12.087 -11.136 9.625 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 389 -12.734 -11.598 9.092 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 389 -11.732 -11.808 10.208 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 390 -11.217 -13.055 11.430 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 390 -11.551 -13.936 11.602 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 390 -10.995 -12.710 12.294 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 391 6.332 -12.246 14.410 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 391 6.310 -12.061 15.349 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 391 7.022 -11.677 14.069 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 392 5.895 -12.679 17.332 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 392 5.408 -13.414 16.961 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 392 6.444 -13.072 18.010 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 393 6.041 -20.579 9.308 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 393 5.315 -21.058 9.706 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 393 6.622 -20.373 10.040 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 394 5.800 -17.794 14.256 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 394 6.634 -18.172 13.975 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 394 5.912 -16.851 14.137 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 395 4.287 -14.916 16.563 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 395 3.639 -14.591 17.188 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 395 3.769 -15.356 15.888 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 396 6.309 -20.678 5.699 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 396 5.788 -20.321 4.980 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 396 6.276 -20.003 6.377 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 397 4.658 -23.438 4.250 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 397 4.755 -22.771 3.570 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 397 4.518 -24.254 3.768 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 398 3.828 -22.058 9.871 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 398 3.678 -23.003 9.851 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 398 3.474 -21.777 10.715 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 399 -2.280 -12.853 19.743 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 399 -2.095 -13.187 20.621 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 399 -1.433 -12.544 19.421 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 400 0.065 -11.568 18.987 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 400 0.742 -12.200 18.747 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 400 0.387 -11.166 19.795 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 401 -9.189 -10.996 16.831 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 401 -9.909 -10.556 16.380 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 401 -9.555 -11.247 17.680 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 402 -6.722 -11.396 15.861 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 402 -7.587 -11.324 16.265 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 402 -6.777 -10.849 15.077 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 403 -2.011 -11.508 15.037 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 403 -2.468 -10.979 14.383 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 403 -1.848 -10.905 15.762 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 404 0.316 -12.630 15.982 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 404 -0.588 -12.465 15.716 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 404 0.745 -11.777 15.916 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 405 2.921 -11.060 16.277 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 405 2.739 -10.144 16.066 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 405 3.097 -11.470 15.430 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 406 -9.774 -12.373 13.742 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 406 -9.793 -12.798 14.599 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 406 -8.969 -12.691 13.333 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 407 -7.633 -13.663 12.397 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 407 -7.852 -14.579 12.566 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 407 -6.809 -13.523 12.863 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 408 -5.096 -13.193 13.245 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 408 -4.883 -14.081 12.958 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 408 -5.031 -13.227 14.200 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 409 -0.182 -0.883 -27.542 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 409 -0.093 0.061 -27.674 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 409 -0.821 -1.158 -28.200 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 410 -8.881 -2.013 -22.530 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 410 -8.839 -2.639 -21.806 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 410 -8.178 -1.390 -22.348 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 411 2.457 1.311 -25.821 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 411 2.016 0.591 -25.371 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 411 2.444 2.032 -25.191 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 412 -10.637 -1.741 -26.476 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 412 -10.423 -2.511 -25.949 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 412 -9.899 -1.652 -27.079 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 413 -0.432 6.416 -25.609 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 413 0.188 5.739 -25.882 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 413 -0.640 6.198 -24.701 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 414 5.803 -7.594 -22.856 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 414 5.852 -6.984 -22.120 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 414 6.229 -7.133 -23.579 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 415 0.281 -4.801 -23.389 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 415 0.424 -5.748 -23.369 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 415 0.175 -4.594 -24.318 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 416 -6.564 -6.700 -26.117 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 416 -6.521 -5.840 -26.535 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 416 -7.022 -7.252 -26.750 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 417 -9.944 -4.303 -25.355 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 417 -9.290 -4.853 -24.923 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 417 -9.920 -4.577 -26.271 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 418 -4.788 -2.753 -26.139 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 418 -4.172 -3.279 -25.630 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 418 -5.374 -3.393 -26.543 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 419 6.195 -6.116 -20.620 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 419 5.506 -5.458 -20.715 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 419 6.210 -6.313 -19.683 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 420 -7.754 -7.782 -22.043 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 420 -7.973 -7.252 -22.809 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 420 -8.422 -7.555 -21.395 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 421 -0.385 1.718 -28.499 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 421 -0.681 1.396 -29.350 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 421 -0.709 2.618 -28.457 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 422 -8.160 -5.890 -24.090 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 422 -7.547 -5.257 -23.717 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 422 -7.648 -6.362 -24.747 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 423 2.969 3.151 -23.473 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 423 2.027 3.209 -23.312 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 423 3.245 4.057 -23.610 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 424 3.269 -8.563 -22.056 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 424 2.533 -7.952 -22.094 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 424 3.953 -8.148 -22.582 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 425 -3.728 -10.476 -24.590 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 425 -3.845 -11.425 -24.644 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 425 -4.583 -10.144 -24.317 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 426 1.221 4.932 -26.848 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 426 1.646 4.225 -27.333 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 426 1.538 5.733 -27.265 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 427 2.380 2.833 -28.339 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 427 2.123 2.143 -28.951 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 427 2.451 2.390 -27.494 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 428 -6.410 -0.799 -27.255 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 428 -6.740 -1.169 -28.074 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 428 -5.822 -1.469 -26.909 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 429 -1.458 4.470 -28.018 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 429 -0.984 4.765 -27.240 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 429 -2.021 5.208 -28.251 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 430 -11.576 3.414 -23.967 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 430 -10.630 3.270 -23.986 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 430 -11.689 4.198 -23.430 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 431 6.621 4.080 -18.285 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 431 6.572 3.125 -18.322 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 431 5.795 4.348 -17.883 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 432 -1.986 7.426 -29.603 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 432 -2.061 7.305 -30.549 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 432 -1.953 8.376 -29.484 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 433 -8.332 6.215 -27.822 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 433 -8.180 5.867 -26.943 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 433 -9.183 5.859 -28.077 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 434 -6.459 -9.573 -23.812 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 434 -7.320 -9.660 -24.220 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 434 -6.481 -8.717 -23.385 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 435 -6.371 -4.386 -27.805 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 435 -7.264 -4.727 -27.864 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 435 -5.920 -4.763 -28.561 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 436 0.169 -4.524 -26.174 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 436 -0.026 -3.919 -26.889 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 436 0.351 -5.358 -26.609 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 437 -8.618 -4.287 -20.850 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 437 -8.656 -3.887 -19.982 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 437 -9.109 -5.104 -20.760 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 438 -3.789 -6.959 -26.719 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 438 -4.700 -6.902 -26.430 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 438 -3.284 -7.019 -25.908 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 439 0.616 -7.724 -23.455 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 439 -0.061 -7.593 -22.791 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 439 0.130 -7.879 -24.265 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 440 -2.469 -4.171 -24.832 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 440 -1.905 -4.718 -25.379 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 440 -2.617 -4.693 -24.043 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 441 -8.174 -0.275 -24.964 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 441 -7.429 -0.277 -25.565 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 441 -8.096 -1.099 -24.482 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 442 -11.166 -1.814 -19.649 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 442 -10.943 -2.232 -18.817 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 442 -11.768 -2.427 -20.071 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 443 1.658 -1.085 -23.692 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 443 0.730 -1.317 -23.719 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 443 2.109 -1.862 -24.022 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 444 -5.799 3.243 -27.559 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 444 -5.272 4.016 -27.760 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 444 -6.679 3.468 -27.861 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 445 -4.372 0.906 -27.983 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 445 -4.613 1.831 -27.941 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 445 -5.112 0.447 -27.587 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 446 -5.688 5.928 -28.438 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 446 -6.638 6.033 -28.386 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 446 -5.337 6.748 -28.093 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 447 -9.532 -7.061 -20.091 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 447 -10.425 -6.722 -20.158 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 447 -9.631 -7.916 -19.673 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 448 -2.344 4.463 -31.241 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 448 -3.161 4.960 -31.188 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 448 -1.815 4.938 -31.881 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 449 3.927 -7.047 -19.249 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 449 3.011 -6.784 -19.337 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 449 4.263 -7.050 -20.146 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 450 2.529 -3.296 -25.153 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 450 1.732 -3.711 -25.482 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 450 2.974 -3.987 -24.662 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 451 3.616 5.960 -23.531 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 451 3.460 6.638 -24.188 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 451 4.548 6.032 -23.328 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 452 -8.889 -9.922 -24.794 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 452 -9.118 -9.863 -25.721 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 452 -9.332 -10.714 -24.487 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 453 -9.931 -2.359 -16.929 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 453 -9.523 -3.216 -17.050 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 453 -10.191 -2.344 -16.008 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 454 -8.985 -6.876 -16.856 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 454 -8.774 -7.583 -17.467 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 454 -9.097 -7.314 -16.012 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 455 -11.217 5.801 -26.282 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 455 -11.551 4.920 -26.110 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 455 -10.995 6.146 -25.418 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 456 6.332 6.610 -23.302 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 456 6.310 6.795 -22.363 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 456 7.022 7.179 -23.643 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 457 5.895 6.177 -20.380 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 457 5.408 5.442 -20.751 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 457 6.444 5.784 -19.702 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 458 5.800 1.062 -23.456 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 458 6.634 0.684 -23.737 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 458 5.912 2.005 -23.575 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 459 -11.137 -1.124 -23.831 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 459 -10.953 -1.206 -24.766 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 459 -10.288 -1.248 -23.407 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 460 4.150 -5.038 -23.943 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 460 5.083 -4.826 -23.977 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 460 3.915 -4.936 -23.020 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 461 4.179 -4.301 -21.167 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 461 3.336 -4.033 -20.801 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 461 4.622 -3.479 -21.378 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 462 -11.539 -5.853 -17.690 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 462 -10.620 -5.975 -17.454 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 462 -11.989 -6.603 -17.301 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 463 -12.014 -4.542 -23.730 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 463 -11.522 -4.763 -24.520 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 463 -11.652 -3.701 -23.449 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 464 3.070 6.700 -27.730 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 464 3.723 6.353 -28.338 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 464 3.581 7.189 -27.084 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 465 -11.737 -9.546 -21.331 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 465 -12.402 -9.792 -20.688 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 465 -12.180 -8.924 -21.908 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 466 4.983 -10.122 -19.645 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 466 4.170 -9.797 -20.033 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 466 5.216 -10.882 -20.178 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 467 -9.774 6.483 -23.970 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 467 -9.793 6.058 -23.113 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 467 -8.969 6.165 -24.379 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 468 -7.633 5.193 -25.315 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 468 -7.852 4.277 -25.146 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 468 -6.809 5.333 -24.849 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 469 -1.587 -8.673 -25.322 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 469 -2.262 -9.302 -25.067 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 469 -1.023 -9.157 -25.925 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 470 -9.303 -9.525 -17.983 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 470 -9.669 -10.290 -17.540 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 470 -8.390 -9.496 -17.696 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 471 -7.330 -10.174 -16.447 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 471 -6.431 -10.448 -16.632 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 471 -7.716 -10.917 -15.983 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 472 1.092 -10.842 -16.265 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 472 1.168 -11.268 -15.411 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 472 1.985 -10.828 -16.607 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 473 6.394 6.563 -13.836 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 473 7.137 7.149 -13.976 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 473 5.699 7.131 -13.503 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 474 -9.697 -4.704 -14.611 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 474 -9.742 -3.765 -14.432 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 474 -10.585 -4.940 -14.881 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 475 -11.701 -8.284 -10.819 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 475 -12.626 -8.075 -10.949 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 475 -11.247 -7.800 -11.509 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 476 -10.424 -10.241 -12.841 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 476 -9.985 -9.630 -13.432 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 476 -11.058 -9.703 -12.367 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 477 -8.563 -8.325 -14.398 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 477 -8.072 -8.955 -14.926 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 477 -7.940 -8.029 -13.735 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 478 5.803 -7.594 14.856 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 478 5.852 -6.984 15.592 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 478 6.229 -7.133 14.133 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 479 -3.728 -10.476 13.122 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 479 -3.845 -11.425 13.068 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 479 -4.583 -10.144 13.395 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 480 -1.796 -9.851 17.274 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 480 -1.376 -10.266 18.027 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 480 -2.729 -10.029 17.391 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 481 1.530 -6.095 18.128 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 481 1.016 -6.221 18.925 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 481 1.375 -5.183 17.883 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 482 -9.532 -7.061 17.621 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 482 -10.425 -6.722 17.554 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 482 -9.631 -7.916 18.039 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 483 3.927 -7.047 18.463 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 483 3.011 -6.784 18.375 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 483 4.263 -7.050 17.566 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 484 -8.889 -9.922 12.918 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 484 -9.118 -9.863 11.991 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 484 -9.332 -10.714 13.225 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 485 -9.931 -2.359 20.783 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 485 -9.523 -3.216 20.662 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 485 -10.191 -2.344 21.704 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 486 -5.644 -5.995 19.240 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 486 -5.494 -6.724 18.637 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 486 -5.642 -5.218 18.681 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 487 0.766 -4.371 22.000 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 487 0.958 -5.302 21.889 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 487 1.623 -3.946 21.990 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 488 -7.166 -4.797 21.151 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 488 -7.933 -5.329 20.941 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 488 -6.487 -5.107 20.552 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 489 -4.426 -10.169 17.164 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 489 -4.524 -9.222 17.058 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 489 -5.169 -10.541 16.688 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 490 -3.162 -5.847 20.727 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 490 -3.398 -6.067 21.629 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 490 -3.945 -6.054 20.218 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 491 -0.446 -6.720 19.803 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 491 -1.394 -6.688 19.935 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 491 -0.134 -7.345 20.457 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 492 1.188 -8.086 21.808 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 492 1.091 -9.038 21.802 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 492 0.866 -7.817 22.669 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 493 -8.985 -6.876 20.856 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 493 -8.774 -7.583 20.245 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 493 -9.097 -7.314 21.700 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 494 -4.204 -10.875 19.835 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 494 -3.492 -11.515 19.821 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 494 -4.305 -10.608 18.921 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 495 -11.539 -5.853 20.022 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 495 -10.620 -5.975 20.258 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 495 -11.989 -6.603 20.411 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 496 -10.318 -7.541 12.913 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 496 -9.873 -8.333 13.215 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 496 -9.852 -6.825 13.344 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 497 5.982 -8.212 20.248 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 497 5.065 -7.941 20.212 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 497 6.105 -8.747 19.464 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 498 -11.737 -9.546 16.381 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 498 -12.402 -9.792 17.024 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 498 -12.180 -8.924 15.804 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 499 4.983 -10.122 18.067 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 499 4.170 -9.797 17.679 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 499 5.216 -10.882 17.534 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 500 1.092 -10.842 21.447 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 500 1.168 -11.268 22.301 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 500 1.985 -10.828 21.105 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 501 -0.385 1.718 28.069 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 501 -0.681 1.396 27.218 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 501 -0.709 2.618 28.111 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 502 -10.656 1.529 26.382 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 502 -10.928 1.758 25.493 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 502 -10.611 2.367 26.842 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 503 2.380 2.833 28.229 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 503 2.123 2.143 27.617 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 503 2.451 2.390 29.074 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 504 -1.461 -1.639 26.478 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 504 -2.173 -1.104 26.127 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 504 -0.770 -1.583 25.818 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 505 -1.407 -3.181 23.517 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 505 -0.706 -3.159 24.168 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 505 -1.105 -3.809 22.861 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 506 0.816 -2.267 25.115 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 506 1.395 -2.117 25.862 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 506 1.230 -1.796 24.392 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 507 -1.458 4.470 28.550 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 507 -0.984 4.765 29.328 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 507 -2.021 5.208 28.317 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 508 -7.420 -1.729 26.902 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 508 -7.712 -0.961 26.411 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 508 -8.094 -2.389 26.739 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 509 -1.986 7.426 26.965 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 509 -2.061 7.305 26.019 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 509 -1.953 8.376 27.084 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 510 -8.332 6.215 28.746 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 510 -8.180 5.867 29.625 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 510 -9.183 5.859 28.491 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 511 0.785 6.506 26.717 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 511 -0.150 6.606 26.896 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 511 1.065 5.797 27.295 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 512 2.293 -1.234 22.745 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 512 2.335 -1.457 21.815 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 512 3.142 -0.836 22.935 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 513 -2.134 -7.358 23.415 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 513 -2.388 -7.339 24.338 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 513 -2.391 -8.230 23.114 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 514 -5.252 -6.913 22.516 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 514 -5.683 -7.358 23.246 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 514 -5.970 -6.541 22.004 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 515 -6.634 -4.135 23.899 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 515 -7.176 -4.515 23.208 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 515 -5.800 -3.941 23.470 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 516 -3.299 0.430 25.835 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 516 -4.043 -0.077 25.512 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 516 -3.433 0.479 26.781 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 517 -1.173 1.889 24.860 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 517 -1.468 2.715 25.242 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 517 -1.876 1.269 25.056 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 518 4.498 4.107 25.854 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 518 4.125 3.281 26.164 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 518 4.775 3.924 24.957 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 519 -5.799 3.243 29.009 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 519 -5.272 4.016 28.808 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 519 -6.679 3.468 28.707 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 520 -10.044 -1.895 23.596 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 520 -9.428 -1.268 23.975 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 520 -10.906 -1.579 23.867 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 521 -4.372 0.906 28.585 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 521 -4.613 1.831 28.627 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 521 -5.112 0.447 28.981 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 522 -5.688 5.928 28.130 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 522 -6.638 6.033 28.182 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 522 -5.337 6.748 28.475 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 523 1.890 2.083 23.675 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 523 2.243 1.703 24.479 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 523 0.941 1.990 23.761 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 524 2.756 0.756 25.901 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 524 2.479 0.028 26.457 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 524 3.683 0.875 26.107 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 525 -5.082 2.765 24.578 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 525 -4.935 2.245 25.368 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 525 -5.085 3.672 24.884 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 526 -8.629 0.018 25.088 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 526 -9.315 0.370 25.655 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 526 -8.106 0.781 24.842 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 527 -9.697 -4.704 23.101 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 527 -9.742 -3.765 23.280 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 527 -10.585 -4.940 22.831 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 528 -9.959 4.018 27.935 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 528 -10.791 4.491 27.962 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 528 -9.413 4.528 27.336 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 529 -5.273 -1.243 24.657 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 529 -5.732 -1.727 25.343 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 529 -5.018 -1.911 24.021 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 530 -4.202 -3.000 22.920 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 530 -4.382 -3.154 21.992 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 530 -3.251 -2.892 22.964 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 531 5.188 -0.645 22.365 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 531 4.915 -1.070 21.552 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 531 5.228 0.286 22.148 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 532 6.309 -1.822 24.555 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 532 5.788 -1.465 23.836 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 532 6.276 -1.147 25.233 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 533 4.658 -4.582 23.106 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 533 4.755 -3.915 22.426 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 533 4.518 -5.398 22.624 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 534 3.906 -7.174 22.223 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 534 4.516 -7.546 22.860 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 534 3.069 -7.596 22.419 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 535 -10.523 5.707 25.769 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 535 -11.208 5.669 25.101 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 535 -10.520 6.620 26.057 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 536 5.050 6.480 26.846 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 536 4.856 5.732 26.281 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 536 5.011 7.238 26.262 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 537 5.803 11.262 -22.856 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 537 5.852 11.872 -22.120 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 537 6.229 11.723 -23.579 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 538 0.281 14.055 -23.389 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 538 0.424 13.108 -23.369 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 538 0.175 14.262 -24.318 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 539 -6.564 12.156 -26.117 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 539 -6.521 13.016 -26.535 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 539 -7.022 11.604 -26.750 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 540 6.195 12.740 -20.620 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 540 5.506 13.398 -20.715 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 540 6.210 12.543 -19.683 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 541 -8.160 12.966 -24.090 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 541 -7.547 13.599 -23.717 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 541 -7.648 12.494 -24.747 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 542 3.269 10.293 -22.056 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 542 2.533 10.904 -22.094 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 542 3.953 10.708 -22.582 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 543 -3.728 8.380 -24.590 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 543 -3.845 7.431 -24.644 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 543 -4.583 8.712 -24.317 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 544 1.842 15.601 -20.070 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 544 1.922 16.364 -19.498 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 544 1.241 15.880 -20.761 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 545 3.773 14.429 -17.805 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 545 3.366 14.910 -18.525 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 545 3.814 13.524 -18.112 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 546 -6.459 9.283 -23.812 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 546 -7.320 9.196 -24.220 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 546 -6.481 10.139 -23.385 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 547 1.530 12.761 -19.584 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 547 1.016 12.635 -18.787 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 547 1.375 13.673 -19.829 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 548 -6.368 14.249 -22.717 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 548 -7.010 14.208 -22.008 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 548 -6.331 15.175 -22.955 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 549 -1.733 15.061 -17.500 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 549 -2.296 14.357 -17.180 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 549 -0.907 14.941 -17.033 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 550 -8.618 14.569 -20.850 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 550 -8.656 14.969 -19.982 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 550 -9.109 13.752 -20.760 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 551 -0.567 15.970 -21.503 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 551 -0.243 15.339 -22.146 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 551 -1.007 15.435 -20.842 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 552 0.616 11.132 -23.455 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 552 -0.061 11.263 -22.791 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 552 0.130 10.977 -24.265 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 553 -3.843 13.073 -22.418 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 553 -4.678 13.527 -22.308 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 553 -3.319 13.349 -21.666 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 554 -4.149 16.559 -17.436 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 554 -4.445 16.393 -18.331 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 554 -3.218 16.339 -17.446 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 555 -2.277 13.902 -20.084 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 555 -2.158 14.476 -19.327 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 555 -1.622 13.214 -19.969 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 556 -1.929 9.997 -28.331 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 556 -2.276 10.615 -27.686 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 556 -1.271 10.498 -28.812 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 557 3.927 11.809 -19.249 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 557 3.011 12.072 -19.337 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 557 4.263 11.806 -20.146 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 558 -8.889 8.934 -24.794 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 558 -9.118 8.993 -25.721 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 558 -9.332 8.142 -24.487 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 559 1.627 19.183 -19.533 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 559 2.372 19.771 -19.653 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 559 0.870 19.765 -19.470 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 560 -9.931 16.497 -16.929 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 560 -9.523 15.640 -17.050 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 560 -10.191 16.512 -16.008 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 561 -5.984 15.506 -19.555 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 561 -6.602 16.181 -19.274 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 561 -5.640 15.827 -20.388 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 562 -0.964 17.977 -16.277 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 562 -0.011 18.061 -16.305 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 562 -1.124 17.266 -15.658 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 563 2.082 17.274 -17.634 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 563 1.801 17.983 -18.212 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 563 3.025 17.201 -17.785 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 564 -7.166 14.059 -16.561 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 564 -7.933 13.527 -16.771 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 564 -6.487 13.749 -17.160 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 565 4.684 17.624 -18.202 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 565 5.267 16.890 -18.011 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 565 5.248 18.396 -18.156 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 566 6.181 15.527 -17.518 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 566 5.318 15.148 -17.683 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 566 6.785 14.788 -17.592 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 567 4.179 14.555 -21.167 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 567 3.336 14.823 -20.801 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 567 4.622 15.377 -21.378 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 568 -11.539 13.003 -17.690 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 568 -10.620 12.881 -17.454 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 568 -11.989 12.253 -17.301 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 569 6.462 8.535 -15.813 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 569 6.812 7.881 -16.419 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 569 6.609 9.372 -16.253 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 570 -10.318 11.315 -24.799 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 570 -9.873 10.523 -24.497 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 570 -9.852 12.031 -24.368 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 571 5.982 10.644 -17.464 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 571 5.065 10.915 -17.500 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 571 6.105 10.109 -18.248 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 572 -11.737 9.310 -21.331 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 572 -12.402 9.064 -20.688 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 572 -12.180 9.932 -21.908 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 573 4.983 8.734 -19.645 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 573 4.170 9.059 -20.033 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 573 5.216 7.974 -20.178 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 574 -1.587 10.183 -25.322 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 574 -2.262 9.554 -25.067 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 574 -1.023 9.699 -25.925 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 575 3.555 8.290 -25.210 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 575 4.159 8.838 -25.711 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 575 2.686 8.610 -25.450 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 576 -4.681 8.744 -27.687 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 576 -3.807 9.132 -27.717 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 576 -4.817 8.529 -26.764 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 577 0.876 8.774 -26.038 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 577 0.952 8.869 -26.987 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 577 0.600 7.866 -25.909 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 578 -0.182 17.973 -8.686 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 578 -0.093 18.917 -8.818 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 578 -0.821 17.698 -9.344 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 579 2.457 20.167 -6.965 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 579 2.016 19.447 -6.515 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 579 2.444 20.888 -6.335 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 580 -7.957 21.293 -5.139 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 580 -8.327 20.491 -5.508 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 580 -7.016 21.124 -5.092 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 581 -11.347 14.953 -9.746 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 581 -11.795 15.799 -9.764 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 581 -11.908 14.373 -10.261 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 582 -10.637 17.115 -7.620 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 582 -10.423 16.345 -7.093 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 582 -9.899 17.204 -8.223 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 583 -9.944 14.553 -6.499 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 583 -9.290 14.003 -6.067 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 583 -9.920 14.279 -7.415 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 584 6.195 12.740 -1.764 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 584 5.506 13.398 -1.859 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 584 6.210 12.543 -0.827 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 585 -0.385 20.574 -9.643 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 585 -0.681 20.252 -10.494 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 585 -0.709 21.474 -9.601 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 586 -5.185 18.750 -2.899 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 586 -5.925 19.348 -2.796 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 586 -4.471 19.304 -3.215 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 587 -6.777 20.714 -2.112 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 587 -6.783 21.593 -2.490 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 587 -7.631 20.631 -1.687 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 588 -10.656 20.385 -11.330 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 588 -10.928 20.614 -12.219 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 588 -10.611 21.223 -10.870 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 589 4.066 20.255 -1.006 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 589 4.206 19.664 -1.745 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 589 4.234 21.128 -1.362 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 590 5.908 16.595 -2.940 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 590 5.256 17.290 -2.851 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 590 6.373 16.805 -3.750 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 591 1.945 17.427 -10.282 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 591 1.213 17.655 -9.709 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 591 2.392 16.713 -9.827 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 592 -5.043 21.485 -5.718 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 592 -5.138 20.907 -6.475 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 592 -4.314 21.114 -5.222 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 593 0.266 22.329 -4.032 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 593 0.025 22.991 -3.384 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 593 0.068 21.495 -3.607 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 594 -5.163 21.225 -0.049 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 594 -5.475 22.007 0.407 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 594 -5.813 21.072 -0.735 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 595 -8.243 17.423 -0.820 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 595 -8.173 18.074 -0.122 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 595 -9.134 17.526 -1.155 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 596 -1.458 23.326 -9.162 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 596 -0.984 23.621 -8.384 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 596 -2.021 24.064 -9.395 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 597 -11.327 19.490 -1.995 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 597 -11.828 19.462 -2.810 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 597 -11.321 18.584 -1.685 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 598 -2.400 22.510 -0.553 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 598 -2.313 23.336 -0.078 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 598 -3.264 22.180 -0.304 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 599 3.773 14.429 1.051 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 599 3.366 14.910 0.331 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 599 3.814 13.524 0.744 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 600 -9.078 20.813 -0.952 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 600 -8.861 20.452 -0.092 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 600 -9.933 20.439 -1.162 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 601 2.293 17.622 -14.967 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 601 2.335 17.399 -15.897 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 601 3.142 18.020 -14.777 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 602 -12.010 11.685 -8.144 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 602 -11.379 11.656 -7.424 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 602 -11.560 11.260 -8.874 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 603 -6.634 14.721 -13.813 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 603 -7.176 14.341 -14.504 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 603 -5.800 14.915 -14.242 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 604 -8.499 19.278 1.286 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 604 -7.766 19.532 1.847 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 604 -9.279 19.482 1.801 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 605 -3.299 19.286 -11.877 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 605 -4.043 18.779 -12.200 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 605 -3.433 19.335 -10.931 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 606 3.851 18.419 -3.091 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 606 4.493 18.876 -3.634 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 606 3.021 18.532 -3.553 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 607 -1.779 19.470 -0.640 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 607 -2.125 19.089 0.166 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 607 -1.979 20.404 -0.569 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 608 -8.174 18.581 -6.108 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 608 -7.429 18.579 -6.709 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 608 -8.096 17.757 -5.626 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 609 -1.173 20.745 -12.852 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 609 -1.468 21.571 -12.470 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 609 -1.876 20.125 -12.656 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 610 -11.166 17.042 -0.793 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 610 -10.943 16.624 0.039 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 610 -11.768 16.429 -1.215 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 611 0.471 21.932 -0.690 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 611 -0.430 22.115 -0.958 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 611 0.505 22.191 0.231 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 612 6.202 14.177 -12.323 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 612 5.648 13.781 -12.995 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 612 6.303 15.087 -12.600 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 613 1.658 17.771 -4.836 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 613 0.730 17.539 -4.863 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 613 2.109 16.994 -5.166 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 614 -5.799 22.099 -8.703 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 614 -5.272 22.872 -8.904 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 614 -6.679 22.324 -9.005 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 615 -10.044 16.961 -14.116 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 615 -9.428 17.588 -13.737 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 615 -10.906 17.277 -13.845 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 616 -5.688 24.784 -9.582 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 616 -6.638 24.889 -9.530 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 616 -5.337 25.604 -9.237 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 617 -0.313 20.010 -3.111 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 617 -0.739 19.783 -2.285 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 617 0.268 19.272 -3.294 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 618 1.890 20.939 -14.037 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 618 2.243 20.559 -13.233 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 618 0.941 20.846 -13.951 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 619 2.756 19.612 -11.811 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 619 2.479 18.884 -11.255 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 619 3.683 19.731 -11.605 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 620 -5.082 21.621 -13.134 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 620 -4.935 21.101 -12.344 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 620 -5.085 22.528 -12.828 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 621 -8.629 18.874 -12.624 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 621 -9.315 19.226 -12.057 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 621 -8.106 19.637 -12.870 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 622 -2.344 23.319 -12.385 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 622 -3.161 23.816 -12.332 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 622 -1.815 23.794 -13.025 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 623 -8.013 21.488 -13.727 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 623 -7.421 22.187 -13.451 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 623 -7.554 21.055 -14.446 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 624 -10.763 19.297 2.507 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 624 -10.619 18.395 2.221 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 624 -11.536 19.583 2.019 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 625 -6.422 19.641 -15.361 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 625 -6.358 18.847 -14.830 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 625 -5.769 19.522 -16.050 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 626 -4.108 19.267 1.940 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 626 -4.436 19.538 1.082 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 626 -3.956 18.326 1.852 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 627 -1.070 20.688 -15.625 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 627 -1.338 20.868 -14.724 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 627 -1.276 19.762 -15.756 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 628 1.627 19.183 -0.677 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 628 2.372 19.771 -0.797 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 628 0.870 19.765 -0.614 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 629 -9.931 16.497 1.927 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 629 -9.523 15.640 1.806 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 629 -10.191 16.512 2.848 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 630 -5.273 17.613 -13.055 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 630 -5.732 17.129 -12.369 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 630 -5.018 16.945 -13.691 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 631 -4.202 15.856 -14.792 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 631 -4.382 15.702 -15.720 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 631 -3.251 15.964 -14.748 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 632 -0.964 17.977 2.579 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 632 -0.011 18.061 2.551 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 632 -1.124 17.266 3.198 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 633 5.188 18.211 -15.347 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 633 4.915 17.786 -16.160 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 633 5.228 19.142 -15.564 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 634 0.766 14.485 3.144 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 634 0.958 13.554 3.033 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 634 1.623 14.910 3.134 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 635 2.082 17.274 1.222 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 635 1.801 17.983 0.644 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 635 3.025 17.201 1.071 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 636 5.647 19.080 -11.372 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 636 6.497 19.501 -11.244 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 636 5.652 18.340 -10.764 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 637 6.041 17.133 -9.548 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 637 5.315 16.654 -9.150 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 637 6.622 17.339 -8.816 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 638 6.309 17.034 -13.157 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 638 5.788 17.391 -13.876 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 638 6.276 17.709 -12.479 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 639 3.828 15.654 -8.985 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 639 3.678 14.709 -9.005 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 639 3.474 15.935 -8.141 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 640 -11.137 17.732 -4.975 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 640 -10.953 17.650 -5.910 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 640 -10.288 17.608 -4.551 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 641 4.684 17.624 0.654 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 641 5.267 16.890 0.845 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 641 5.248 18.396 0.700 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 642 6.181 15.527 1.338 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 642 5.318 15.148 1.173 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 642 6.785 14.788 1.264 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 643 -10.318 11.315 -5.943 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 643 -9.873 10.523 -5.641 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 643 -9.852 12.031 -5.512 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 644 -12.014 14.314 -4.874 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 644 -11.522 14.093 -5.664 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 644 -11.652 15.155 -4.593 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 645 6.018 10.567 -13.946 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 645 6.431 9.846 -14.422 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 645 6.700 11.237 -13.888 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 646 -7.633 24.049 -6.459 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 646 -7.852 23.133 -6.290 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 646 -6.809 24.189 -5.993 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 647 -5.096 24.519 -5.611 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 647 -4.883 23.631 -5.898 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 647 -5.031 24.485 -4.656 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 648 -0.182 17.973 10.170 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 648 -0.093 18.917 10.038 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 648 -0.821 17.698 9.512 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 649 -1.249 17.228 13.589 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 649 -1.287 16.582 14.294 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 649 -1.572 16.762 12.818 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 650 -8.881 16.843 15.182 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 650 -8.839 16.217 15.906 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 650 -8.178 17.466 15.364 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 651 -10.637 17.115 11.236 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 651 -10.423 16.345 11.763 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 651 -9.899 17.204 10.633 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 652 -2.860 19.661 13.995 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 652 -2.556 18.975 13.401 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 652 -2.138 19.779 14.613 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 653 0.281 14.055 14.323 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 653 0.424 13.108 14.343 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 653 0.175 14.262 13.394 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 654 -9.944 14.553 12.357 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 654 -9.290 14.003 12.789 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 654 -9.920 14.279 11.441 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 655 6.195 12.740 17.092 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 655 5.506 13.398 16.997 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 655 6.210 12.543 18.029 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 656 -7.754 11.074 15.669 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 656 -7.973 11.604 14.903 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 656 -8.422 11.301 16.317 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 657 -0.385 20.574 9.213 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 657 -0.681 20.252 8.362 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 657 -0.709 21.474 9.255 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 658 -5.185 18.750 15.957 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 658 -5.925 19.348 16.060 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 658 -4.471 19.304 15.641 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 659 -8.160 12.966 13.622 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 659 -7.547 13.599 13.995 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 659 -7.648 12.494 12.965 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 660 -10.656 20.385 7.526 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 660 -10.928 20.614 6.637 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 660 -10.611 21.223 7.986 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 661 4.066 20.255 17.850 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 661 4.206 19.664 17.111 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 661 4.234 21.128 17.494 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 662 -1.461 17.217 7.622 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 662 -2.173 17.752 7.271 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 662 -0.770 17.273 6.962 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 663 -1.407 15.675 4.661 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 663 -0.706 15.697 5.312 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 663 -1.105 15.047 4.005 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 664 5.908 16.595 15.916 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 664 5.256 17.290 16.005 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 664 6.373 16.805 15.106 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 665 1.945 17.427 8.574 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 665 1.213 17.655 9.147 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 665 2.392 16.713 9.029 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 666 1.842 15.601 17.642 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 666 1.922 16.364 18.214 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 666 1.241 15.880 16.951 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 667 -6.410 18.057 10.457 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 667 -6.740 17.687 9.638 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 667 -5.822 17.387 10.803 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 668 -6.043 16.826 14.090 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 668 -5.478 16.947 13.327 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 668 -5.724 17.463 14.729 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 669 0.816 16.589 6.259 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 669 1.395 16.739 7.006 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 669 1.230 17.060 5.536 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 670 3.773 14.429 19.907 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 670 3.366 14.910 19.187 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 670 3.814 13.524 19.600 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 671 2.293 17.622 3.889 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 671 2.335 17.399 2.959 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 671 3.142 18.020 4.079 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 672 -6.368 14.249 14.995 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 672 -7.010 14.208 15.704 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 672 -6.331 15.175 14.757 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 673 -1.733 15.061 20.212 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 673 -2.296 14.357 20.532 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 673 -0.907 14.941 20.679 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 674 -8.618 14.569 16.862 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 674 -8.656 14.969 17.730 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 674 -9.109 13.752 16.952 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 675 -0.567 15.970 16.209 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 675 -0.243 15.339 15.566 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 675 -1.007 15.435 16.870 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 676 -3.843 13.073 15.294 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 676 -4.678 13.527 15.404 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 676 -3.319 13.349 16.046 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 677 -3.299 19.286 6.979 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 677 -4.043 18.779 6.656 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 677 -3.433 19.335 7.925 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 678 3.851 18.419 15.765 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 678 4.493 18.876 15.222 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 678 3.021 18.532 15.303 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 679 -8.174 18.581 12.748 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 679 -7.429 18.579 12.147 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 679 -8.096 17.757 13.230 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 680 -1.173 20.745 6.004 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 680 -1.468 21.571 6.386 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 680 -1.876 20.125 6.200 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 681 6.202 14.177 6.533 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 681 5.648 13.781 5.861 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 681 6.303 15.087 6.256 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 682 6.166 19.977 19.370 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 682 5.314 20.215 19.003 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 682 6.756 19.960 18.617 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 683 1.658 17.771 14.020 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 683 0.730 17.539 13.993 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 683 2.109 16.994 13.690 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 684 -5.799 22.099 10.153 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 684 -5.272 22.872 9.952 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 684 -6.679 22.324 9.851 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 685 -4.372 19.762 9.729 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 685 -4.613 20.687 9.771 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 685 -5.112 19.303 10.125 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 686 -9.532 11.795 17.621 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 686 -10.425 12.134 17.554 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 686 -9.631 10.940 18.039 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 687 2.756 19.612 7.045 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 687 2.479 18.884 7.601 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 687 3.683 19.731 7.251 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 688 -5.082 21.621 5.722 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 688 -4.935 21.101 6.512 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 688 -5.085 22.528 6.028 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 689 -8.629 18.874 6.232 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 689 -9.315 19.226 6.799 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 689 -8.106 19.637 5.986 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 690 -2.277 13.902 17.628 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 690 -2.158 14.476 18.385 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 690 -1.622 13.214 17.743 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 691 3.927 11.809 18.463 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 691 3.011 12.072 18.375 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 691 4.263 11.806 17.566 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 692 2.529 15.560 12.559 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 692 1.732 15.145 12.230 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 692 2.974 14.869 13.050 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 693 -8.013 21.488 5.129 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 693 -7.421 22.187 5.405 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 693 -7.554 21.055 4.410 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 694 -9.959 22.874 9.079 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 694 -10.791 23.347 9.106 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 694 -9.413 23.384 8.480 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 695 -6.422 19.641 3.495 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 695 -6.358 18.847 4.026 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 695 -5.769 19.522 2.806 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 696 -1.070 20.688 3.231 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 696 -1.338 20.868 4.132 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 696 -1.276 19.762 3.100 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 697 5.188 18.211 3.509 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 697 4.915 17.786 2.696 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 697 5.228 19.142 3.292 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 698 -5.644 12.861 19.240 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 698 -5.494 12.132 18.637 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 698 -5.642 13.638 18.681 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 699 -5.232 11.231 16.732 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 699 -4.696 11.682 16.080 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 699 -6.084 11.123 16.310 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 700 -3.650 16.670 16.972 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 700 -2.899 16.514 16.399 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 700 -3.989 17.522 16.696 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 701 0.766 14.485 22.000 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 701 0.958 13.554 21.889 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 701 1.623 14.910 21.990 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 702 -7.166 14.059 21.151 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 702 -7.933 13.527 20.941 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 702 -6.487 13.749 20.552 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 703 -3.162 13.009 20.727 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 703 -3.398 12.789 21.629 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 703 -3.945 12.802 20.218 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 704 -0.446 12.136 19.803 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 704 -1.394 12.168 19.935 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 704 -0.134 11.511 20.457 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 705 1.188 10.770 21.808 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 705 1.091 9.818 21.802 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 705 0.866 11.039 22.669 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 706 -8.985 11.980 20.856 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 706 -8.774 11.273 20.245 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 706 -9.097 11.542 21.700 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 707 -10.736 21.183 4.548 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 707 -9.822 21.262 4.821 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 707 -10.729 20.496 3.881 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 708 6.041 17.133 9.308 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 708 5.315 16.654 9.706 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 708 6.622 17.339 10.040 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 709 5.800 19.918 14.256 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 709 6.634 19.540 13.975 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 709 5.912 20.861 14.137 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 710 6.309 17.034 5.699 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 710 5.788 17.391 4.980 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 710 6.276 17.709 6.377 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 711 3.828 15.654 9.871 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 711 3.678 14.709 9.851 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 711 3.474 15.935 10.715 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 712 -11.137 17.732 13.881 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 712 -10.953 17.650 12.946 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 712 -10.288 17.608 14.305 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 713 4.684 17.624 19.510 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 713 5.267 16.890 19.701 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 713 5.248 18.396 19.556 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 714 6.181 15.527 20.194 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 714 5.318 15.148 20.029 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 714 6.785 14.788 20.120 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 715 4.150 13.818 13.769 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 715 5.083 14.030 13.735 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 715 3.915 13.920 14.692 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 716 4.179 14.555 16.545 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 716 3.336 14.823 16.911 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 716 4.622 15.377 16.334 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 717 -11.539 13.003 20.022 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 717 -10.620 12.881 20.258 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 717 -11.989 12.253 20.411 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 718 -10.318 11.315 12.913 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 718 -9.873 10.523 13.215 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 718 -9.852 12.031 13.344 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 719 -12.014 14.314 13.982 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 719 -11.522 14.093 13.192 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 719 -11.652 15.155 14.263 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 720 4.514 8.339 24.928 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 720 3.615 8.478 25.223 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 720 4.766 9.170 24.526 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 721 -2.134 11.498 23.415 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 721 -2.388 11.517 24.338 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 721 -2.391 10.626 23.114 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 722 -5.252 11.943 22.516 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 722 -5.683 11.498 23.246 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 722 -5.970 12.315 22.004 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 723 -5.308 13.526 26.332 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 723 -4.376 13.655 26.510 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 723 -5.523 14.196 25.683 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 724 -7.467 10.821 28.154 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 724 -7.784 9.919 28.119 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 724 -6.686 10.823 27.602 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 725 0.599 12.100 24.034 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 725 -0.339 12.212 23.883 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 725 0.896 12.957 24.340 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 726 6.202 14.177 25.389 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 726 5.648 13.781 24.717 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 726 6.303 15.087 25.112 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 727 -0.013 11.188 26.464 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 727 0.207 11.660 25.661 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 727 0.545 11.583 27.135 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 728 -2.813 12.916 27.299 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 728 -2.001 13.420 27.345 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 728 -3.058 12.771 28.213 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 729 -1.929 9.997 28.237 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 729 -2.276 10.615 28.882 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 729 -1.271 10.498 27.756 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 730 -6.272 11.060 24.925 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 730 -6.355 11.949 25.271 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 730 -5.382 10.795 25.156 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 731 5.188 18.211 22.365 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 731 4.915 17.786 21.552 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 731 5.228 19.142 22.148 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 732 6.041 17.133 28.164 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 732 5.315 16.654 28.562 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 732 6.622 17.339 28.896 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 733 6.309 17.034 24.555 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 733 5.788 17.391 23.836 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 733 6.276 17.709 25.233 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 734 4.658 14.274 23.106 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 734 4.755 14.941 22.426 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 734 4.518 13.458 22.624 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 735 3.906 11.682 22.223 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 735 4.516 11.310 22.860 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 735 3.069 11.260 22.419 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 736 4.152 10.500 27.238 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 736 4.334 10.051 28.063 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 736 3.552 9.915 26.774 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 737 6.018 10.567 23.766 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 737 6.431 9.846 23.290 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 737 6.700 11.237 23.824 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 738 -10.424 8.615 24.871 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 738 -9.985 9.226 24.280 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 738 -11.058 9.153 25.345 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 739 -4.681 8.744 28.881 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 739 -3.807 9.132 28.851 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 739 -4.817 8.529 29.804 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 740 2.229 8.800 26.223 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 740 1.526 9.414 26.013 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 740 1.784 7.962 26.354 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 741 -8.563 10.531 23.314 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 741 -8.072 9.901 22.786 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 741 -7.940 10.827 23.977 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 742 -3.537 10.824 25.771 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 742 -3.359 10.178 26.454 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 742 -3.591 11.658 26.238 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 743 11.932 -14.415 -18.141 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 743 11.940 -14.551 -19.089 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 743 11.016 -14.533 -17.889 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 744 8.186 -12.225 -17.303 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 744 8.726 -12.442 -16.544 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 744 7.705 -13.031 -17.493 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 745 12.783 -13.306 -15.683 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 745 13.551 -13.765 -15.342 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 745 12.762 -13.532 -16.613 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 746 8.093 -18.415 -16.349 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 746 8.237 -19.317 -16.635 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 746 7.320 -18.129 -16.837 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 747 9.311 -15.227 -17.187 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 747 8.490 -15.052 -17.647 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 747 9.059 -15.300 -16.266 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 748 9.667 -10.996 -20.881 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 748 8.947 -10.556 -21.332 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 748 9.301 -11.247 -20.032 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 749 9.975 -20.869 -3.674 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 749 10.017 -21.495 -2.950 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 749 10.678 -20.246 -3.492 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 750 10.899 -16.419 -5.139 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 750 10.529 -17.221 -5.508 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 750 11.840 -16.588 -5.092 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 751 8.219 -20.597 -7.620 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 751 8.433 -21.367 -7.093 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 751 8.957 -20.508 -8.223 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 752 18.424 -12.440 -6.753 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 752 19.044 -13.117 -7.026 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 752 18.216 -12.658 -5.845 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 753 15.996 -18.051 -4.861 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 753 16.300 -18.737 -5.455 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 753 16.718 -17.933 -4.243 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 754 18.471 -17.138 -9.643 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 754 18.175 -17.460 -10.494 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 754 18.147 -16.238 -9.601 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 755 12.079 -16.998 -2.112 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 755 12.073 -16.119 -2.490 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 755 11.225 -17.081 -1.687 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 756 8.200 -17.327 -11.330 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 756 7.928 -17.098 -12.219 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 756 8.245 -16.489 -10.870 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 757 12.446 -19.655 -8.399 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 757 12.116 -20.025 -9.218 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 757 13.034 -20.325 -8.053 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 758 13.813 -16.227 -5.718 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 758 13.718 -16.805 -6.475 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 758 14.542 -16.598 -5.222 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 759 13.693 -16.487 -0.049 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 759 13.381 -15.705 0.407 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 759 13.043 -16.640 -0.735 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 760 17.398 -14.386 -9.162 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 760 17.872 -14.091 -8.384 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 760 16.835 -13.648 -9.395 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 761 11.436 -20.585 -10.810 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 761 11.144 -19.817 -11.301 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 761 10.762 -21.245 -10.973 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 762 7.529 -18.222 -1.995 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 762 7.028 -18.250 -2.810 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 762 7.535 -19.128 -1.685 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 763 16.456 -15.202 -0.553 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 763 16.543 -14.376 -0.078 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 763 15.592 -15.532 -0.304 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 764 16.870 -11.430 -10.747 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 764 16.795 -11.551 -11.693 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 764 16.903 -10.480 -10.628 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 765 9.778 -16.899 -0.952 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 765 9.995 -17.260 -0.092 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 765 8.923 -17.273 -1.162 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 766 10.357 -18.434 1.286 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 766 11.090 -18.180 1.847 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 766 9.577 -18.230 1.801 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 767 15.557 -18.426 -11.877 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 767 14.813 -18.933 -12.200 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 767 15.423 -18.377 -10.931 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 768 10.682 -19.131 -6.108 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 768 11.427 -19.133 -6.709 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 768 10.760 -19.955 -5.626 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 769 17.683 -16.967 -12.852 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 769 17.388 -16.141 -12.470 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 769 16.980 -17.587 -12.656 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 770 7.690 -20.670 -0.793 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 770 7.913 -21.088 0.039 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 770 7.088 -21.283 -1.215 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 771 14.484 -17.950 -9.127 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 771 14.243 -17.025 -9.085 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 771 13.744 -18.409 -8.731 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 772 14.999 -13.801 -2.812 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 772 15.362 -12.946 -3.045 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 772 15.531 -14.093 -2.071 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 773 14.837 -15.661 -15.590 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 773 15.076 -16.409 -16.138 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 773 14.568 -16.049 -14.758 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 774 13.774 -16.091 -13.134 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 774 13.921 -16.611 -12.344 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 774 13.771 -15.184 -12.828 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 775 10.227 -18.838 -12.624 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 775 9.541 -18.486 -12.057 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 775 10.750 -18.075 -12.870 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 776 16.512 -14.393 -12.385 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 776 15.695 -13.896 -12.332 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 776 17.041 -13.918 -13.025 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 777 10.843 -16.224 -13.727 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 777 11.435 -15.525 -13.451 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 777 11.302 -16.657 -14.446 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 778 16.875 -13.798 -15.452 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 778 16.231 -14.429 -15.130 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 778 17.637 -14.329 -15.684 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 779 8.093 -18.415 2.507 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 779 8.237 -19.317 2.221 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 779 7.320 -18.129 2.019 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 780 12.434 -18.071 -15.361 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 780 12.498 -18.865 -14.830 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 780 13.087 -18.190 -16.050 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 781 8.925 -21.215 1.927 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 781 9.333 -22.072 1.806 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 781 8.665 -21.200 2.848 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 782 14.552 -11.165 -13.791 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 782 15.485 -11.007 -13.647 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 782 14.288 -10.490 -14.416 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 783 8.120 -16.529 -14.308 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 783 9.034 -16.450 -14.035 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 783 8.127 -17.216 -14.975 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 784 7.719 -19.980 -4.975 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 784 7.903 -20.062 -5.910 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 784 8.568 -20.104 -4.551 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 785 12.265 -14.252 -2.072 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 785 11.840 -13.443 -2.355 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 785 13.170 -14.167 -2.374 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 786 16.576 -12.853 0.887 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 786 16.761 -13.187 1.765 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 786 17.423 -12.544 0.565 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 787 18.921 -11.568 0.131 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 787 19.598 -12.200 -0.109 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 787 19.243 -11.166 0.939 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 788 16.845 -11.508 -3.819 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 788 16.388 -10.979 -4.473 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 788 17.008 -10.905 -3.094 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 789 21.777 -11.060 -2.579 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 789 21.595 -10.144 -2.790 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 789 21.953 -11.470 -3.426 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 790 13.760 -13.193 -5.611 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 790 13.973 -14.081 -5.898 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 790 13.825 -13.227 -4.656 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 791 17.197 -11.939 -13.546 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 791 18.063 -11.573 -13.724 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 791 16.950 -12.379 -14.359 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 792 10.899 -16.419 13.717 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 792 10.529 -17.221 13.348 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 792 11.840 -16.588 13.764 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 793 18.424 -12.440 12.103 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 793 19.044 -13.117 11.830 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 793 18.216 -12.658 13.011 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 794 8.200 -17.327 7.526 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 794 7.928 -17.098 6.637 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 794 8.245 -16.489 7.986 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 795 12.446 -19.655 10.457 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 795 12.116 -20.025 9.638 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 795 13.034 -20.325 10.803 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 796 13.813 -16.227 13.138 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 796 13.718 -16.805 12.381 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 796 14.542 -16.598 13.634 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 797 17.398 -14.386 9.694 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 797 17.872 -14.091 10.472 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 797 16.835 -13.648 9.461 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 798 11.436 -20.585 8.046 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 798 11.144 -19.817 7.555 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 798 10.762 -21.245 7.883 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 799 7.280 -15.442 13.745 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 799 8.226 -15.586 13.726 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 799 7.167 -14.658 14.282 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 800 16.870 -11.430 8.109 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 800 16.795 -11.551 7.163 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 800 16.903 -10.480 8.228 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 801 15.557 -18.426 6.979 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 801 14.813 -18.933 6.656 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 801 15.423 -18.377 7.925 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 802 10.682 -19.131 12.748 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 802 11.427 -19.133 12.147 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 802 10.760 -19.955 13.230 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 803 17.683 -16.967 6.004 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 803 17.388 -16.141 6.386 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 803 16.980 -17.587 6.200 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 804 8.812 -20.751 4.740 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 804 9.428 -20.124 5.119 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 804 7.950 -20.435 5.011 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 805 14.484 -17.950 9.729 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 805 14.243 -17.025 9.771 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 805 13.744 -18.409 10.125 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 806 14.999 -13.801 16.044 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 806 15.362 -12.946 15.811 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 806 15.531 -14.093 16.785 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 807 8.975 -14.112 16.056 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 807 9.192 -15.044 16.025 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 807 9.222 -13.838 16.940 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 808 14.837 -15.661 3.266 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 808 15.076 -16.409 2.718 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 808 14.568 -16.049 4.098 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 809 13.774 -16.091 5.722 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 809 13.921 -16.611 6.512 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 809 13.771 -15.184 6.028 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 810 10.227 -18.838 6.232 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 810 9.541 -18.486 6.799 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 810 10.750 -18.075 5.986 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 811 16.512 -14.393 6.471 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 811 15.695 -13.896 6.524 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 811 17.041 -13.918 5.831 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 812 10.843 -16.224 5.129 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 812 11.435 -15.525 5.405 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 812 11.302 -16.657 4.410 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 813 16.875 -13.798 3.404 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 813 16.231 -14.429 3.726 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 813 17.637 -14.329 3.172 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 814 12.434 -18.071 3.495 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 814 12.498 -18.865 4.026 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 814 13.087 -18.190 2.806 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 815 13.583 -20.099 5.801 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 815 13.124 -20.583 6.487 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 815 13.838 -20.767 5.165 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 816 14.552 -11.165 5.065 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 816 15.485 -11.007 5.209 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 816 14.288 -10.490 4.440 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 817 12.265 -14.252 16.784 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 817 11.840 -13.443 16.501 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 817 13.170 -14.167 16.482 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 818 9.667 -10.996 16.831 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 818 8.947 -10.556 16.380 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 818 9.301 -11.247 17.680 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 819 12.134 -11.396 15.861 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 819 11.269 -11.324 16.265 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 819 12.079 -10.849 15.077 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 820 16.845 -11.508 15.037 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 820 16.388 -10.979 14.383 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 820 17.008 -10.905 15.762 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 821 9.082 -12.373 13.742 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 821 9.063 -12.798 14.599 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 821 9.887 -12.691 13.333 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 822 13.760 -13.193 13.245 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 822 13.973 -14.081 12.958 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 822 13.825 -13.227 14.200 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 823 17.197 -11.939 5.310 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 823 18.063 -11.573 5.132 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 823 16.950 -12.379 4.497 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 824 9.975 -2.013 -22.530 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 824 10.017 -2.639 -21.806 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 824 10.678 -1.390 -22.348 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 825 11.102 -7.782 -22.043 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 825 10.883 -7.252 -22.809 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 825 10.434 -7.555 -21.395 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 826 10.613 -1.433 -19.676 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 826 10.683 -0.782 -18.978 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 826 9.722 -1.330 -20.011 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 827 7.280 3.414 -23.967 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 827 8.226 3.270 -23.986 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 827 7.167 4.198 -23.430 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 828 9.778 1.957 -19.808 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 828 9.995 1.596 -18.948 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 828 8.923 1.583 -20.018 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 829 10.238 -4.287 -20.850 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 829 10.200 -3.887 -19.982 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 829 9.747 -5.104 -20.760 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 830 10.357 0.422 -17.570 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 830 11.090 0.676 -17.009 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 830 9.577 0.626 -17.055 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 831 7.690 -1.814 -19.649 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 831 7.913 -2.232 -18.817 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 831 7.088 -2.427 -20.071 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 832 14.707 -2.297 -17.436 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 832 14.411 -2.463 -18.331 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 832 15.638 -2.517 -17.446 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 833 9.324 -7.061 -20.091 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 833 8.431 -6.722 -20.158 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 833 9.225 -7.916 -19.673 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 834 8.975 4.744 -21.656 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 834 9.192 3.812 -21.687 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 834 9.222 5.018 -20.772 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 835 8.186 6.631 -17.303 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 835 8.726 6.414 -16.544 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 835 7.705 5.825 -17.493 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 836 12.783 5.550 -15.683 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 836 13.551 5.091 -15.342 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 836 12.762 5.324 -16.613 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 837 8.093 0.441 -16.349 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 837 8.237 -0.461 -16.635 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 837 7.320 0.727 -16.837 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 838 8.925 -2.359 -16.929 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 838 9.333 -3.216 -17.050 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 838 8.665 -2.344 -16.008 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 839 12.872 -3.350 -19.555 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 839 12.254 -2.675 -19.274 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 839 13.216 -3.029 -20.388 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 840 13.212 -5.995 -18.472 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 840 13.362 -6.724 -19.075 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 840 13.214 -5.218 -19.031 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 841 11.690 -4.797 -16.561 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 841 10.923 -5.329 -16.771 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 841 12.369 -5.107 -17.160 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 842 15.694 -5.847 -16.985 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 842 15.458 -6.067 -16.083 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 842 14.911 -6.054 -17.494 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 843 14.652 -10.875 -17.877 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 843 15.364 -11.515 -17.891 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 843 14.551 -10.608 -18.791 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 844 15.005 -9.192 -15.823 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 844 14.874 -9.668 -16.644 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 844 14.406 -8.448 -15.879 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 845 7.719 -1.124 -23.831 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 845 7.903 -1.206 -24.766 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 845 8.568 -1.248 -23.407 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 846 6.842 -4.542 -23.730 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 846 7.334 -4.763 -24.520 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 846 7.204 -3.701 -23.449 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 847 7.119 -9.546 -21.331 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 847 6.454 -9.792 -20.688 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 847 6.676 -8.924 -21.908 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 848 9.311 3.629 -17.187 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 848 8.490 3.804 -17.647 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 848 9.059 3.556 -16.266 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 849 18.674 -0.883 -8.686 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 849 18.763 0.061 -8.818 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 849 18.035 -1.158 -9.344 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 850 21.313 1.311 -6.965 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 850 20.872 0.591 -6.515 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 850 21.300 2.032 -6.335 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 851 18.424 6.416 -6.753 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 851 19.044 5.739 -7.026 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 851 18.216 6.198 -5.845 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 852 19.137 -4.801 -4.533 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 852 19.280 -5.748 -4.513 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 852 19.031 -4.594 -5.462 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 853 20.014 -6.569 -8.860 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 853 20.660 -6.898 -8.235 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 853 20.524 -6.051 -9.483 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 854 18.471 1.718 -9.643 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 854 18.175 1.396 -10.494 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 854 18.147 2.618 -9.601 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 855 21.778 -7.278 -6.879 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 855 21.563 -8.044 -6.347 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 855 22.434 -6.806 -6.366 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 856 21.825 3.151 -4.617 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 856 20.883 3.209 -4.456 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 856 22.101 4.057 -4.754 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 857 22.125 -8.563 -3.200 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 857 21.389 -7.952 -3.238 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 857 22.809 -8.148 -3.726 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 858 20.077 4.932 -7.992 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 858 20.502 4.225 -8.477 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 858 20.394 5.733 -8.409 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 859 22.922 1.399 -1.006 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 859 23.062 0.808 -1.745 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 859 23.090 2.272 -1.362 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 860 17.395 -1.639 -11.234 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 860 16.683 -1.104 -11.585 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 860 18.086 -1.583 -11.894 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 861 20.698 -3.255 -1.214 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 861 20.778 -2.492 -0.642 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 861 20.097 -2.976 -1.905 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 862 19.122 3.473 -4.032 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 862 18.881 4.135 -3.384 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 862 18.924 2.639 -3.607 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 863 17.398 4.470 -9.162 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 863 17.872 4.765 -8.384 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 863 16.835 5.208 -9.395 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 864 16.870 7.426 -10.747 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 864 16.795 7.305 -11.693 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 864 16.903 8.376 -10.628 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 865 22.629 -4.427 1.051 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 865 22.222 -3.946 0.331 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 865 22.670 -5.332 0.744 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 866 17.060 -9.851 -1.582 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 866 17.480 -10.266 -0.829 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 866 16.127 -10.029 -1.465 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 867 16.722 -7.358 -14.297 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 867 16.468 -7.339 -13.374 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 867 16.465 -8.230 -14.598 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 868 18.021 -3.970 -10.132 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 868 17.612 -3.155 -10.424 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 868 18.741 -4.110 -10.747 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 869 19.025 -4.524 -7.318 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 869 18.830 -3.919 -8.033 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 869 19.207 -5.358 -7.753 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 870 13.604 -6.913 -15.196 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 870 13.173 -7.358 -14.466 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 870 12.886 -6.541 -15.708 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 871 13.548 -5.330 -11.380 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 871 14.480 -5.201 -11.202 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 871 13.333 -4.660 -12.029 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 872 19.472 -7.724 -4.599 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 872 18.795 -7.593 -3.935 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 872 18.986 -7.879 -5.409 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 873 15.557 0.430 -11.877 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 873 14.813 -0.077 -12.200 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 873 15.423 0.479 -10.931 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 874 22.707 -0.437 -3.091 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 874 23.349 0.020 -3.634 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 874 21.877 -0.324 -3.553 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 875 19.327 3.076 -0.690 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 875 18.426 3.259 -0.958 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 875 19.361 3.335 0.231 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 876 20.514 -1.085 -4.836 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 876 19.586 -1.317 -4.863 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 876 20.965 -1.862 -5.166 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 877 14.484 0.906 -9.127 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 877 14.243 1.831 -9.085 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 877 13.744 0.447 -8.731 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 878 18.543 1.154 -3.111 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 878 18.117 0.927 -2.285 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 878 19.124 0.416 -3.294 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 879 21.202 5.706 -0.642 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 879 20.600 5.151 -1.137 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 879 21.483 6.373 -1.268 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 880 14.837 3.195 -15.590 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 880 15.076 2.447 -16.138 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 880 14.568 2.807 -14.758 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 881 13.774 2.765 -13.134 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 881 13.921 2.245 -12.344 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 881 13.771 3.672 -12.828 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 882 18.843 -7.668 -11.248 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 882 19.063 -7.196 -12.051 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 882 19.401 -7.273 -10.577 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 883 16.512 4.463 -12.385 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 883 15.695 4.960 -12.332 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 883 17.041 4.938 -13.025 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 884 16.043 -5.940 -10.413 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 884 16.855 -5.436 -10.367 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 884 15.798 -6.085 -9.499 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 885 16.927 -8.859 -9.475 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 885 16.580 -8.241 -8.830 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 885 17.585 -8.358 -9.956 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 886 13.850 5.506 -12.403 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 886 14.011 6.306 -12.904 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 886 13.653 5.813 -11.518 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 887 22.783 -7.047 -0.393 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 887 21.867 -6.784 -0.481 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 887 23.119 -7.050 -1.290 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 888 21.385 -3.296 -6.297 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 888 20.588 -3.711 -6.626 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 888 21.830 -3.987 -5.806 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 889 10.843 2.632 -13.727 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 889 11.435 3.331 -13.451 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 889 11.302 2.199 -14.446 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 890 19.360 3.930 1.902 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 890 19.009 3.074 2.145 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 890 20.086 4.073 2.509 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 891 12.434 0.785 -15.361 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 891 12.498 -0.009 -14.830 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 891 13.087 0.666 -16.050 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 892 20.483 0.327 -0.677 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 892 21.228 0.915 -0.797 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 892 19.726 0.909 -0.614 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 893 13.583 -1.243 -13.055 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 893 13.124 -1.727 -12.369 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 893 13.838 -1.911 -13.691 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 894 14.654 -3.000 -14.792 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 894 14.474 -3.154 -15.720 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 894 15.605 -2.892 -14.748 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 895 19.622 -4.371 3.144 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 895 19.814 -5.302 3.033 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 895 20.479 -3.946 3.134 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 896 20.938 -1.582 1.222 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 896 20.657 -0.873 0.644 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 896 21.881 -1.655 1.071 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 897 20.044 -8.086 2.952 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 897 19.947 -9.038 2.946 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 897 19.722 -7.817 3.813 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 898 14.652 -10.875 0.979 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 898 15.364 -11.515 0.965 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 898 14.551 -10.608 0.065 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 899 15.005 -9.192 3.033 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 899 14.874 -9.668 2.212 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 899 14.406 -8.448 2.977 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 900 14.552 7.691 -13.791 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 900 15.485 7.849 -13.647 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 900 14.288 8.366 -14.416 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 901 8.120 2.327 -14.308 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 901 9.034 2.406 -14.035 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 901 8.127 1.640 -14.975 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 902 23.202 1.967 3.114 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 902 22.336 1.862 3.508 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 902 23.578 2.726 3.561 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 903 23.540 -1.232 0.654 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 903 24.123 -1.966 0.845 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 903 24.104 -0.460 0.700 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 904 23.006 -5.038 -5.087 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 904 23.939 -4.826 -5.121 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 904 22.771 -4.936 -4.164 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 905 23.035 -4.301 -2.311 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 905 22.192 -4.033 -1.945 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 905 23.478 -3.479 -2.522 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 906 16.576 6.003 0.887 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 906 16.761 5.669 1.765 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 906 17.423 6.312 0.565 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 907 18.921 7.288 0.131 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 907 19.598 6.656 -0.109 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 907 19.243 7.690 0.939 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 908 16.845 7.348 -3.819 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 908 16.388 7.877 -4.473 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 908 17.008 7.951 -3.094 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 909 19.172 6.226 -2.874 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 909 18.268 6.391 -3.140 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 909 19.601 7.079 -2.940 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 910 14.175 -10.112 -8.831 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 910 15.049 -9.724 -8.861 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 910 14.039 -10.327 -7.908 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 911 19.732 -10.082 -7.182 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 911 19.808 -9.987 -8.131 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 911 19.456 -10.990 -7.053 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 912 15.319 -8.032 -11.941 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 912 15.497 -8.678 -11.258 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 912 15.265 -7.198 -11.474 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 913 17.197 6.917 -13.546 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 913 18.063 7.283 -13.724 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 913 16.950 6.477 -14.359 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 914 10.151 6.627 -14.918 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 914 9.883 6.914 -14.045 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 914 10.922 6.081 -14.766 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 915 19.948 -10.842 2.591 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 915 20.024 -11.268 3.445 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 915 20.841 -10.828 2.249 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 916 18.674 -0.883 10.170 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 916 18.763 0.061 10.038 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 916 18.035 -1.158 9.512 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 917 17.607 -1.628 13.589 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 917 17.569 -2.274 14.294 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 917 17.284 -2.094 12.818 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 918 9.975 -2.013 15.182 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 918 10.017 -2.639 15.906 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 918 10.678 -1.390 15.364 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 919 21.313 1.311 11.891 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 919 20.872 0.591 12.341 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 919 21.300 2.032 12.521 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 920 15.996 0.805 13.995 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 920 16.300 0.119 13.401 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 920 16.718 0.923 14.613 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 921 20.014 -6.569 9.996 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 921 20.660 -6.898 10.621 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 921 20.524 -6.051 9.373 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 922 14.068 -2.753 11.573 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 922 14.684 -3.279 12.082 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 922 13.482 -3.393 11.169 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 923 11.102 -7.782 15.669 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 923 10.883 -7.252 14.903 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 923 10.434 -7.555 16.317 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 924 18.471 1.718 9.213 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 924 18.175 1.396 8.362 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 924 18.147 2.618 9.255 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 925 13.671 -0.106 15.957 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 925 12.931 0.492 16.060 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 925 14.385 0.448 15.641 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 926 21.825 3.151 14.239 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 926 20.883 3.209 14.400 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 926 22.101 4.057 14.102 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 927 15.128 -10.476 13.122 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 927 15.011 -11.425 13.068 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 927 14.273 -10.144 13.395 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 928 20.077 4.932 10.864 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 928 20.502 4.225 10.379 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 928 20.394 5.733 10.447 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 929 21.236 2.833 9.373 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 929 20.979 2.143 8.761 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 929 21.307 2.390 10.218 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 930 22.922 1.399 17.850 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 930 23.062 0.808 17.111 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 930 23.090 2.272 17.494 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 931 20.801 -1.429 8.574 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 931 20.069 -1.201 9.147 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 931 21.248 -2.143 9.029 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 932 12.813 -2.030 14.090 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 932 13.378 -1.909 13.327 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 932 13.132 -1.393 14.729 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 933 13.693 2.369 18.807 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 933 13.381 3.151 19.263 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 933 13.043 2.216 18.121 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 934 19.672 -2.267 6.259 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 934 20.251 -2.117 7.006 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 934 20.086 -1.796 5.536 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 935 10.613 -1.433 18.036 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 935 10.683 -0.782 18.734 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 935 9.722 -1.330 17.701 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 936 7.529 0.634 16.861 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 936 7.028 0.606 16.046 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 936 7.535 -0.272 17.171 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 937 19.972 6.580 5.112 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 937 20.347 5.836 4.641 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 937 19.976 6.310 6.030 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 938 19.641 6.506 7.861 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 938 18.706 6.606 8.040 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 938 19.921 5.797 8.439 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 939 9.778 1.957 17.904 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 939 9.995 1.596 18.764 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 939 8.923 1.583 17.694 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 940 12.397 -9.573 13.900 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 940 11.536 -9.660 13.492 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 940 12.375 -8.717 14.327 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 941 21.149 -1.234 3.889 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 941 21.191 -1.457 2.959 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 941 21.998 -0.836 4.079 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 942 16.722 -7.358 4.559 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 942 16.468 -7.339 5.482 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 942 16.465 -8.230 4.258 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 943 12.488 -4.607 14.995 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 943 11.846 -4.648 15.704 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 943 12.525 -3.681 14.757 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 944 18.021 -3.970 8.724 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 944 17.612 -3.155 8.432 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 944 18.741 -4.110 8.109 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 945 19.025 -4.524 11.538 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 945 18.830 -3.919 10.823 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 945 19.207 -5.358 11.103 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 946 10.238 -4.287 16.862 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 946 10.200 -3.887 17.730 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 946 9.747 -5.104 16.952 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 947 22.759 7.948 20.534 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 947 22.959 8.372 19.699 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 947 23.415 8.291 21.141 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 948 10.357 0.422 20.142 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 948 11.090 0.676 20.703 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 948 9.577 0.626 20.657 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 949 16.387 -4.171 12.880 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 949 16.951 -4.718 12.333 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 949 16.239 -4.693 13.669 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 950 15.013 -5.783 15.294 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 950 14.178 -5.329 15.404 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 950 15.537 -5.507 16.046 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 951 19.455 -6.756 5.178 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 951 18.517 -6.644 5.027 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 951 19.752 -5.899 5.484 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 952 17.077 0.614 18.216 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 952 16.731 0.233 19.022 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 952 16.877 1.548 18.287 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 953 20.173 -4.889 6.839 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 953 21.065 -5.026 7.158 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 953 20.230 -4.098 6.302 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 954 23.354 4.107 6.998 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 954 22.981 3.281 7.308 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 954 23.631 3.924 6.101 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 955 18.543 1.154 15.745 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 955 18.117 0.927 16.571 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 955 19.124 0.416 15.562 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 956 20.746 2.083 4.819 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 956 21.099 1.703 5.623 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 956 19.797 1.990 4.905 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 957 9.324 -7.061 17.621 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 957 8.431 -6.722 17.554 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 957 9.225 -7.916 18.039 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 958 21.612 0.756 7.045 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 958 21.335 0.028 7.601 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 958 22.539 0.875 7.251 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 959 18.843 -7.668 7.608 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 959 19.063 -7.196 6.805 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 959 19.401 -7.273 8.279 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 960 16.927 -8.859 9.381 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 960 16.580 -8.241 10.026 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 960 17.585 -8.358 8.900 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 961 22.472 5.960 14.181 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 961 22.316 6.638 13.524 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 961 23.404 6.032 14.384 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 962 21.479 4.875 3.638 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 962 21.762 4.081 4.091 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 962 22.219 5.108 3.077 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 963 8.093 0.441 21.363 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 963 8.237 -0.461 21.077 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 963 7.320 0.727 20.875 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 964 14.748 0.411 20.796 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 964 14.420 0.682 19.938 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 964 14.900 -0.530 20.708 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 965 20.483 0.327 18.179 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 965 21.228 0.915 18.059 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 965 19.726 0.909 18.242 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 966 8.925 -2.359 20.783 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 966 9.333 -3.216 20.662 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 966 8.665 -2.344 21.704 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 967 17.892 -0.879 21.435 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 967 18.845 -0.795 21.407 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 967 17.732 -1.590 22.054 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 968 24.044 -0.645 3.509 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 968 23.771 -1.070 2.696 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 968 24.084 0.286 3.292 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 969 13.624 -7.625 16.732 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 969 14.160 -7.174 16.080 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 969 12.772 -7.733 16.310 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 970 15.206 -2.186 16.972 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 970 15.957 -2.342 16.399 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 970 14.867 -1.334 16.696 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 971 24.751 6.177 17.332 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 971 24.264 5.442 16.961 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 971 25.300 5.784 18.010 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 972 23.202 1.967 21.970 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 972 22.336 1.862 22.364 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 972 23.578 2.726 22.417 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 973 23.143 3.940 16.563 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 973 22.495 4.265 17.188 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 973 22.625 3.500 15.888 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 974 22.762 -7.174 3.367 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 974 23.372 -7.546 4.004 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 974 21.925 -7.596 3.563 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 975 7.317 -5.853 20.022 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 975 8.236 -5.975 20.258 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 975 6.867 -6.603 20.411 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 976 21.926 6.700 9.982 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 976 22.579 6.353 9.374 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 976 22.437 7.189 10.628 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 977 7.119 -9.546 16.381 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 977 6.454 -9.792 17.024 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 977 6.676 -8.924 15.804 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 978 21.777 7.796 16.277 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 978 21.595 8.712 16.066 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 978 21.953 7.386 15.430 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 979 17.269 -8.673 12.390 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 979 16.594 -9.302 12.645 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 979 17.833 -9.157 11.787 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 980 23.124 5.231 20.140 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 980 22.342 5.045 19.620 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 980 23.052 6.160 20.357 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 981 16.870 7.426 26.965 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 981 16.795 7.305 26.019 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 981 16.903 8.376 27.084 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 982 19.972 6.580 23.968 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 982 20.347 5.836 23.497 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 982 19.976 6.310 24.886 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 983 19.641 6.506 26.717 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 983 18.706 6.606 26.896 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 983 19.921 5.797 27.295 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 984 17.683 1.889 24.860 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 984 17.388 2.715 25.242 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 984 16.980 1.269 25.056 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 985 8.812 -1.895 23.596 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 985 9.428 -1.268 23.975 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 985 7.950 -1.579 23.867 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 986 20.746 2.083 23.675 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 986 21.099 1.703 24.479 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 986 19.797 1.990 23.761 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 987 13.774 2.765 24.578 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 987 13.921 2.245 25.368 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 987 13.771 3.672 24.884 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 988 16.512 4.463 25.327 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 988 15.695 4.960 25.380 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 988 17.041 4.938 24.687 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 989 13.850 5.506 25.309 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 989 14.011 6.306 24.808 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 989 13.653 5.813 26.194 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 990 10.843 2.632 23.985 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 990 11.435 3.331 24.261 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 990 11.302 2.199 23.266 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 991 21.479 4.875 22.494 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 991 21.762 4.081 22.947 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 991 22.219 5.108 21.933 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 992 12.434 0.785 22.351 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 992 12.498 -0.009 22.882 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 992 13.087 0.666 21.662 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 993 17.786 1.832 22.087 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 993 17.518 2.012 22.988 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 993 17.580 0.906 21.956 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 994 14.552 7.691 23.921 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 994 15.485 7.849 24.065 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 994 14.288 8.366 23.296 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 995 8.120 2.327 23.404 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 995 9.034 2.406 23.677 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 995 8.127 1.640 22.737 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 996 8.333 5.707 25.769 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 996 7.648 5.669 25.101 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 996 8.336 6.620 26.057 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 997 17.197 6.917 24.166 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 997 18.063 7.283 23.988 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 997 16.950 6.477 23.353 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 998 7.317 13.003 -17.690 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 998 8.236 12.881 -17.454 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 998 6.867 12.253 -17.301 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 999 7.119 9.310 -21.331 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 999 6.454 9.064 -20.688 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 999 6.676 9.932 -21.908 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1000 11.526 8.682 -16.447 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1000 12.425 8.408 -16.632 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1000 11.140 7.939 -15.983 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1001 7.509 14.953 -9.746 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1001 7.061 15.799 -9.764 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1001 6.948 14.373 -10.261 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1002 12.292 12.156 -7.261 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1002 12.335 13.016 -7.679 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1002 11.834 11.604 -7.894 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1003 8.912 14.553 -6.499 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1003 9.566 14.003 -6.067 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1003 8.936 14.279 -7.415 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1004 11.102 11.074 -3.187 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1004 10.883 11.604 -3.953 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1004 10.434 11.301 -2.539 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1005 10.696 12.966 -5.234 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1005 11.309 13.599 -4.861 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1005 11.208 12.494 -5.891 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1006 15.128 8.380 -5.734 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1006 15.011 7.431 -5.788 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1006 14.273 8.712 -5.461 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1007 17.060 9.005 -1.582 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1007 17.480 8.590 -0.829 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1007 16.127 8.827 -1.465 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1008 12.488 14.249 -3.861 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1008 11.846 14.208 -3.152 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1008 12.525 15.175 -4.099 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1009 10.238 14.569 -1.994 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1009 10.200 14.969 -1.126 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1009 9.747 13.752 -1.904 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1010 8.121 12.431 -12.720 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1010 8.595 13.022 -13.305 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1010 7.403 12.962 -12.373 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1011 15.067 11.897 -7.863 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1011 14.156 11.954 -7.574 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1011 15.572 11.837 -7.052 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1012 9.895 13.526 -9.036 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1012 9.006 13.626 -9.376 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1012 10.191 12.684 -9.382 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1013 11.389 10.821 -9.558 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1013 11.072 9.919 -9.593 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1013 12.170 10.823 -10.110 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1014 15.013 13.073 -3.562 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1014 14.178 13.527 -3.452 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1014 15.537 13.349 -2.810 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1015 7.690 17.042 -0.793 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1015 7.913 16.624 0.039 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1015 7.088 16.429 -1.215 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1016 9.324 11.795 -1.235 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1016 8.431 12.134 -1.302 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1016 9.225 10.940 -0.817 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1017 18.059 11.536 -2.345 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1017 18.757 11.610 -1.695 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1017 17.678 10.672 -2.190 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1018 16.579 13.902 -1.228 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1018 16.698 14.476 -0.471 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1018 17.234 13.214 -1.113 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1019 12.584 11.060 -12.787 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1019 12.501 11.949 -12.441 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1019 13.474 10.795 -12.556 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1020 8.925 16.497 1.927 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1020 9.333 15.640 1.806 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1020 8.665 16.512 2.848 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1021 13.212 12.861 0.384 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1021 13.362 12.132 -0.219 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1021 13.214 13.638 -0.175 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1022 13.624 11.231 -2.124 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1022 14.160 11.682 -2.776 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1022 12.772 11.123 -2.546 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1023 11.690 14.059 2.295 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1023 10.923 13.527 2.085 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1023 12.369 13.749 1.696 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1024 15.694 13.009 1.871 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1024 15.458 12.789 2.773 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1024 14.911 12.802 1.362 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1025 18.410 12.136 0.947 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1025 17.462 12.168 1.079 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1025 18.722 11.511 1.601 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1026 20.044 10.770 2.952 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1026 19.947 9.818 2.946 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1026 19.722 11.039 3.813 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1027 6.842 14.314 -4.874 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1027 7.334 14.093 -5.664 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1027 7.204 15.155 -4.593 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1028 7.155 10.572 -10.819 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1028 6.230 10.781 -10.949 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1028 7.609 11.056 -11.509 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1029 17.269 10.183 -6.466 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1029 16.594 9.554 -6.211 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1029 17.833 9.699 -7.069 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1030 14.175 8.744 -8.831 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1030 15.049 9.132 -8.861 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1030 14.039 8.529 -7.908 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1031 10.293 10.531 -14.398 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1031 10.784 9.901 -14.926 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1031 10.916 10.827 -13.735 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1032 15.319 10.824 -11.941 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1032 15.497 10.178 -11.258 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1032 15.265 11.658 -11.474 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1033 19.948 8.014 2.591 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1033 20.024 7.588 3.445 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1033 20.841 8.028 2.249 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1034 18.674 17.973 10.170 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1034 18.763 18.917 10.038 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1034 18.035 17.698 9.512 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1035 21.313 20.167 11.891 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1035 20.872 19.447 12.341 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1035 21.300 20.888 12.521 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1036 7.509 14.953 9.110 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1036 7.061 15.799 9.092 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1036 6.948 14.373 8.595 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1037 24.659 11.262 14.856 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1037 24.708 11.872 15.592 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1037 25.085 11.723 14.133 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1038 20.014 12.287 9.996 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1038 20.660 11.958 10.621 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1038 20.524 12.805 9.373 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1039 25.051 12.740 17.092 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1039 24.362 13.398 16.997 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1039 25.066 12.543 18.029 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1040 18.471 20.574 9.213 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1040 18.175 20.252 8.362 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1040 18.147 21.474 9.255 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1041 21.778 11.578 11.977 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1041 21.563 10.812 12.509 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1041 22.434 12.050 12.490 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1042 8.200 20.385 7.526 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1042 7.928 20.614 6.637 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1042 8.245 21.223 7.986 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1043 22.125 10.293 15.656 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1043 21.389 10.904 15.618 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1043 22.809 10.708 15.130 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1044 22.922 20.255 17.850 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1044 23.062 19.664 17.111 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1044 23.090 21.128 17.494 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1045 17.395 17.217 7.622 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1045 16.683 17.752 7.271 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1045 18.086 17.273 6.962 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1046 24.764 16.595 15.916 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1046 24.112 17.290 16.005 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1046 25.229 16.805 15.106 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1047 19.122 22.329 14.824 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1047 18.881 22.991 15.472 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1047 18.924 21.495 15.249 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1048 13.693 21.225 18.807 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1048 13.381 22.007 19.263 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1048 13.043 21.072 18.121 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1049 17.398 23.326 9.694 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1049 17.872 23.621 10.472 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1049 16.835 24.064 9.461 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1050 11.932 23.297 19.571 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1050 11.940 23.161 18.623 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1050 11.016 23.179 19.823 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1051 23.370 8.339 6.072 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1051 22.471 8.478 6.367 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1051 23.622 9.170 5.670 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1052 11.436 17.127 8.046 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1052 11.144 17.895 7.555 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1052 10.762 16.467 7.883 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1053 7.529 19.490 16.861 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1053 7.028 19.462 16.046 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1053 7.535 18.584 17.171 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1054 7.280 22.270 13.745 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1054 8.226 22.126 13.726 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1054 7.167 23.054 14.282 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1055 16.456 22.510 18.303 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1055 16.543 23.336 18.778 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1055 15.592 22.180 18.552 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1056 9.778 20.813 17.904 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1056 9.995 20.452 18.764 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1056 8.923 20.439 17.694 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1057 16.722 11.498 4.559 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1057 16.468 11.517 5.482 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1057 16.465 10.626 4.258 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1058 18.021 14.886 8.724 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1058 17.612 15.701 8.432 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1058 18.741 14.746 8.109 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1059 19.025 14.332 11.538 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1059 18.830 14.937 10.823 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1059 19.207 13.498 11.103 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1060 13.604 11.943 3.660 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1060 13.173 11.498 4.390 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1060 12.886 12.315 3.148 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1061 6.846 11.685 10.712 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1061 7.477 11.656 11.432 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1061 7.296 11.260 9.982 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1062 9.895 13.526 9.820 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1062 9.006 13.626 9.480 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1062 10.191 12.684 9.474 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1063 13.548 13.526 7.476 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1063 14.480 13.655 7.654 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1063 13.333 14.196 6.827 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1064 19.472 11.132 14.257 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1064 18.795 11.263 14.921 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1064 18.986 10.977 13.447 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1065 12.222 14.721 5.043 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1065 11.680 14.341 4.352 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1065 13.056 14.915 4.614 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1066 10.357 19.278 20.142 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1066 11.090 19.532 20.703 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1066 9.577 19.482 20.657 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1067 15.557 19.286 6.979 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1067 14.813 18.779 6.656 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1067 15.423 19.335 7.925 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1068 22.707 18.419 15.765 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1068 23.349 18.876 15.222 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1068 21.877 18.532 15.303 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1069 19.455 12.100 5.178 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1069 18.517 12.212 5.027 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1069 19.752 12.957 5.484 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1070 20.173 13.967 6.839 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1070 21.065 13.830 7.158 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1070 20.230 14.758 6.302 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1071 19.327 21.932 18.166 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1071 18.426 22.115 17.898 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1071 19.361 22.191 19.087 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1072 25.022 19.977 19.370 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1072 24.170 20.215 19.003 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1072 25.612 19.960 18.617 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1073 20.514 17.771 14.020 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1073 19.586 17.539 13.993 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1073 20.965 16.994 13.690 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1074 13.057 22.099 10.153 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1074 13.584 22.872 9.952 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1074 12.177 22.324 9.851 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1075 8.812 16.961 4.740 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1075 9.428 17.588 5.119 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1075 7.950 17.277 5.011 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1076 14.999 23.911 16.044 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1076 15.362 24.766 15.811 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1076 15.531 23.619 16.785 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1077 13.168 24.784 9.274 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1077 12.218 24.889 9.326 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1077 13.519 25.604 9.619 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1078 18.543 20.010 15.745 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1078 18.117 19.783 16.571 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1078 19.124 19.272 15.562 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1079 8.975 23.600 16.056 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1079 9.192 22.668 16.025 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1079 9.222 23.874 16.940 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1080 10.227 18.874 6.232 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1080 9.541 19.226 6.799 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1080 10.750 19.637 5.986 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1081 18.843 11.188 7.608 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1081 19.063 11.660 6.805 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1081 19.401 11.583 8.279 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1082 16.043 12.916 8.443 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1082 16.855 13.420 8.489 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1082 15.798 12.771 9.357 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1083 22.783 11.809 18.463 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1083 21.867 12.072 18.375 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1083 23.119 11.806 17.566 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1084 21.385 15.560 12.559 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1084 20.588 15.145 12.230 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1084 21.830 14.869 13.050 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1085 9.159 14.152 4.245 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1085 9.114 15.091 4.424 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1085 8.271 13.916 3.975 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1086 8.897 22.874 9.079 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1086 8.065 23.347 9.106 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1086 9.443 23.384 8.480 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1087 19.360 22.786 20.758 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1087 19.009 21.930 21.001 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1087 20.086 22.929 21.365 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1088 8.093 19.297 21.363 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1088 8.237 18.395 21.077 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1088 7.320 19.583 20.875 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1089 14.748 19.267 20.796 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1089 14.420 19.538 19.938 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1089 14.900 18.326 20.708 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1090 13.583 17.613 5.801 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1090 13.124 17.129 6.487 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1090 13.838 16.945 5.165 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1091 14.654 15.856 4.064 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1091 14.474 15.702 3.136 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1091 15.605 15.964 4.108 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1092 20.044 10.770 21.808 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1092 19.947 9.818 21.802 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1092 19.722 11.039 22.669 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1093 23.202 20.823 21.970 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1093 22.336 20.718 22.364 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1093 23.578 21.582 22.417 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1094 23.540 17.624 19.510 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1094 24.123 16.890 19.701 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1094 24.104 18.396 19.556 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1095 25.037 15.527 20.194 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1095 24.174 15.148 20.029 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1095 25.641 14.788 20.120 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1096 23.006 13.818 13.769 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1096 23.939 14.030 13.735 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1096 22.771 13.920 14.692 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1097 23.035 14.555 16.545 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1097 22.192 14.823 16.911 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1097 23.478 15.377 16.334 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1098 23.008 10.500 8.382 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1098 23.190 10.051 9.207 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1098 22.408 9.915 7.918 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1099 24.838 10.644 20.248 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1099 23.921 10.915 20.212 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1099 24.961 10.109 19.464 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1100 9.311 22.485 20.525 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1100 8.490 22.660 20.065 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1100 9.059 22.412 21.446 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1101 12.265 23.460 16.784 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1101 11.840 24.269 16.501 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1101 13.170 23.545 16.482 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1102 23.839 8.734 18.067 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1102 23.026 9.059 17.679 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1102 24.072 7.974 17.534 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1103 12.134 26.316 15.861 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1103 11.269 26.388 16.265 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1103 12.079 26.863 15.077 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1104 9.082 25.339 13.742 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1104 9.063 24.914 14.599 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1104 9.887 25.021 13.333 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1105 11.223 24.049 12.397 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1105 11.004 23.133 12.566 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1105 12.047 24.189 12.863 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1106 13.760 24.519 13.245 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1106 13.973 23.631 12.958 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1106 13.825 24.485 14.200 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1107 22.411 8.290 12.502 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1107 23.015 8.838 12.001 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1107 21.542 8.610 12.262 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1108 19.732 8.774 11.674 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1108 19.808 8.869 10.725 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1108 19.456 7.866 11.803 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1109 21.085 8.800 7.367 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1109 20.382 9.414 7.157 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1109 20.640 7.962 7.498 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1110 7.509 14.953 27.966 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1110 7.061 15.799 27.948 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1110 6.948 14.373 27.451 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1111 12.292 12.156 30.451 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1111 12.335 13.016 30.033 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1111 11.834 11.604 29.818 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1112 17.395 17.217 26.478 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1112 16.683 17.752 26.127 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1112 18.086 17.273 25.818 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1113 12.446 18.057 29.313 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1113 12.116 17.687 28.494 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1113 13.034 17.387 29.659 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1114 19.672 16.589 25.115 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1114 20.251 16.739 25.862 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1114 20.086 17.060 24.392 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1115 11.436 17.127 26.902 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1115 11.144 17.895 26.411 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1115 10.762 16.467 26.739 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1116 21.149 17.622 22.745 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1116 21.191 17.399 21.815 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1116 21.998 18.020 22.935 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1117 16.722 11.498 23.415 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1117 16.468 11.517 24.338 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1117 16.465 10.626 23.114 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1118 12.485 14.470 28.763 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1118 11.592 14.129 28.704 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1118 12.936 14.093 28.007 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1119 18.021 14.886 27.580 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1119 17.612 15.701 27.288 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1119 18.741 14.746 26.965 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1120 6.846 11.685 29.568 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1120 7.477 11.656 30.288 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1120 7.296 11.260 28.838 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1121 9.895 13.526 28.676 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1121 9.006 13.626 28.336 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1121 10.191 12.684 28.330 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1122 13.548 13.526 26.332 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1122 14.480 13.655 26.510 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1122 13.333 14.196 25.683 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1123 11.389 10.821 28.154 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1123 11.072 9.919 28.119 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1123 12.170 10.823 27.602 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1124 15.557 19.286 25.835 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1124 14.813 18.779 25.512 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1124 15.423 19.335 26.781 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1125 19.455 12.100 24.034 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1125 18.517 12.212 23.883 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1125 19.752 12.957 24.340 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1126 20.173 13.967 25.695 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1126 21.065 13.830 26.014 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1126 20.230 14.758 25.158 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1127 17.683 20.745 24.860 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1127 17.388 21.571 25.242 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1127 16.980 20.125 25.056 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1128 20.746 20.939 23.675 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1128 21.099 20.559 24.479 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1128 19.797 20.846 23.761 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1129 21.612 19.612 25.901 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1129 21.335 18.884 26.457 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1129 22.539 19.731 26.107 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1130 14.837 22.051 22.122 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1130 15.076 21.303 21.574 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1130 14.568 21.663 22.954 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1131 10.227 18.874 25.088 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1131 9.541 19.226 25.655 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1131 10.750 19.637 24.842 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1132 18.843 11.188 26.464 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1132 19.063 11.660 25.661 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1132 19.401 11.583 27.135 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1133 16.043 12.916 27.299 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1133 16.855 13.420 27.345 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1133 15.798 12.771 28.213 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1134 10.843 21.488 23.985 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1134 11.435 22.187 24.261 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1134 11.302 21.055 23.266 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1135 12.434 19.641 22.351 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1135 12.498 18.847 22.882 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1135 13.087 19.522 21.662 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1136 17.786 20.688 22.087 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1136 17.518 20.868 22.988 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1136 17.580 19.762 21.956 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1137 13.583 17.613 24.657 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1137 13.124 17.129 25.343 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1137 13.838 16.945 24.021 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1138 24.044 18.211 22.365 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1138 23.771 17.786 21.552 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1138 24.084 19.142 22.148 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1139 8.120 21.183 23.404 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1139 9.034 21.262 23.677 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1139 8.127 20.496 22.737 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1140 25.165 17.034 24.555 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1140 24.644 17.391 23.836 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1140 25.132 17.709 25.233 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1141 23.514 14.274 23.106 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1141 23.611 14.941 22.426 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1141 23.374 13.458 22.624 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1142 22.762 11.682 22.223 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1142 23.372 11.310 22.860 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1142 21.925 11.260 22.419 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1143 7.155 10.572 26.893 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1143 6.230 10.781 26.763 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1143 7.609 11.056 26.203 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1144 9.595 8.817 29.068 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1144 8.818 8.583 28.560 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1144 10.126 8.020 29.076 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1145 8.432 8.615 24.871 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1145 8.871 9.226 24.280 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1145 7.798 9.153 25.345 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1146 21.085 8.800 26.223 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1146 20.382 9.414 26.013 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1146 20.640 7.962 26.354 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1147 15.319 10.824 25.771 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1147 15.497 10.178 26.454 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1147 15.265 11.658 26.238 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1148 26.546 17.042 18.063 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1148 26.769 16.624 18.895 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1148 25.944 16.429 17.641 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1149 26.173 13.003 20.022 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1149 27.092 12.881 20.258 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1149 25.723 12.253 20.411 0.00 0.00 WAT1 END