REMARK FILENAME="/farm/data/gliu/projects/HR5537/cns/calc18mod1_hb1/refinedPD" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -25.473, 86.4094, 132.562, 56.2009, 616.592, -449.488, -478.667, 8.37914, 2.53908 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.478169E-03,0.482922,1.23541,42.7274,6.355402E-03,0.492246 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 43, 13 REMARK =============================================================== REMARK DATE:19-Jun-2009 21:48:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.342 -25.876 11.964 1.00 33.21 ATOM 2 CB MET 1 14.082 -25.447 14.050 1.00 33.40 ATOM 3 HB1 MET 1 14.895 -24.734 14.066 1.00 37.42 ATOM 4 HB2 MET 1 14.086 -26.001 14.978 1.00 52.42 ATOM 5 CG MET 1 12.774 -24.672 13.968 1.00 3.00 ATOM 6 HG1 MET 1 12.740 -24.143 13.026 1.00 37.42 ATOM 7 HG2 MET 1 12.741 -23.959 14.781 1.00 14.32 ATOM 8 SD MET 1 11.326 -25.740 14.082 1.00 30.44 ATOM 9 CE MET 1 10.011 -24.523 14.170 1.00 2.33 ATOM 10 HE1 MET 1 10.153 -23.903 15.043 1.00 2.53 ATOM 11 HE2 MET 1 9.057 -25.027 14.238 1.00 40.41 ATOM 12 HE3 MET 1 10.031 -23.907 13.285 1.00 63.11 ATOM 13 C MET 1 15.672 -27.130 13.088 1.00 71.41 ATOM 14 O MET 1 16.705 -26.469 13.217 1.00 3.03 ATOM 15 N MET 1 13.189 -27.408 12.811 1.00 15.03 ATOM 16 HT1 MET 1 13.150 -27.991 13.675 1.00 37.42 ATOM 17 HT2 MET 1 13.311 -28.033 11.988 1.00 37.42 ATOM 18 HT3 MET 1 12.282 -26.906 12.709 1.00 37.42 ATOM 19 CA MET 1 14.314 -26.429 12.891 1.00 40.33 ATOM 20 N GLY 2 15.668 -28.465 13.101 1.00 11.42 ATOM 21 HN GLY 2 14.842 -28.944 12.881 1.00 37.42 ATOM 22 CA GLY 2 16.869 -29.228 13.439 1.00 13.21 ATOM 23 HA1 GLY 2 16.567 -30.231 13.707 1.00 37.42 ATOM 24 HA2 GLY 2 17.335 -28.774 14.301 1.00 60.03 ATOM 25 C GLY 2 17.906 -29.314 12.319 1.00 3.42 ATOM 26 O GLY 2 18.280 -28.304 11.724 1.00 74.11 ATOM 27 N HIS 3 18.367 -30.533 12.029 1.00 63.22 ATOM 28 HN HIS 3 17.946 -31.311 12.453 1.00 37.42 ATOM 29 CA HIS 3 19.471 -30.750 11.085 1.00 41.31 ATOM 30 HA HIS 3 19.793 -29.786 10.719 1.00 42.34 ATOM 31 CB HIS 3 20.646 -31.421 11.810 1.00 52.01 ATOM 32 HB1 HIS 3 21.520 -31.387 11.172 1.00 37.42 ATOM 33 HB2 HIS 3 20.395 -32.454 12.010 1.00 14.13 ATOM 34 CG HIS 3 21.001 -30.776 13.117 1.00 10.33 ATOM 35 ND1 HIS 3 21.686 -29.584 13.213 1.00 0.52 ATOM 36 HD1 HIS 3 22.004 -29.042 12.460 1.00 45.11 ATOM 37 CD2 HIS 3 20.752 -31.160 14.392 1.00 72.15 ATOM 38 HD2 HIS 3 20.230 -32.057 14.701 1.00 50.00 ATOM 39 CE1 HIS 3 21.842 -29.266 14.482 1.00 41.02 ATOM 40 HE1 HIS 3 22.344 -28.385 14.857 1.00 73.44 ATOM 41 NE2 HIS 3 21.284 -30.202 15.219 1.00 70.40 ATOM 42 HE2 HIS 3 21.084 -30.114 16.177 1.00 37.42 ATOM 43 C HIS 3 19.049 -31.616 9.883 1.00 65.34 ATOM 44 O HIS 3 19.893 -32.236 9.235 1.00 3.14 ATOM 45 N HIS 4 17.752 -31.650 9.570 1.00 0.02 ATOM 46 HN HIS 4 17.111 -31.139 10.113 1.00 37.42 ATOM 47 CA HIS 4 17.262 -32.444 8.430 1.00 65.31 ATOM 48 HA HIS 4 17.566 -33.468 8.596 1.00 62.15 ATOM 49 CB HIS 4 15.733 -32.396 8.335 1.00 44.21 ATOM 50 HB1 HIS 4 15.423 -32.855 7.406 1.00 37.42 ATOM 51 HB2 HIS 4 15.414 -31.364 8.337 1.00 31.32 ATOM 52 CG HIS 4 15.020 -33.097 9.450 1.00 35.32 ATOM 53 ND1 HIS 4 15.440 -34.297 9.984 1.00 71.24 ATOM 54 HD1 HIS 4 16.243 -34.793 9.721 1.00 70.52 ATOM 55 CD2 HIS 4 13.891 -32.769 10.120 1.00 24.44 ATOM 56 HD2 HIS 4 13.289 -31.884 9.965 1.00 12.42 ATOM 57 CE1 HIS 4 14.599 -34.674 10.926 1.00 12.35 ATOM 58 HE1 HIS 4 14.674 -35.576 11.514 1.00 71.24 ATOM 59 NE2 HIS 4 13.651 -33.767 11.030 1.00 33.22 ATOM 60 HE2 HIS 4 12.795 -33.907 11.493 1.00 37.42 ATOM 61 C HIS 4 17.857 -31.970 7.094 1.00 44.45 ATOM 62 O HIS 4 18.052 -32.775 6.181 1.00 63.15 ATOM 63 N HIS 5 18.142 -30.665 6.995 1.00 42.23 ATOM 64 HN HIS 5 18.052 -30.105 7.797 1.00 37.42 ATOM 65 CA HIS 5 18.595 -30.033 5.741 1.00 25.23 ATOM 66 HA HIS 5 18.844 -29.008 5.978 1.00 53.52 ATOM 67 CB HIS 5 19.852 -30.721 5.186 1.00 42.42 ATOM 68 HB1 HIS 5 20.140 -30.241 4.260 1.00 37.42 ATOM 69 HB2 HIS 5 19.628 -31.760 4.991 1.00 5.21 ATOM 70 CG HIS 5 21.026 -30.671 6.119 1.00 14.43 ATOM 71 ND1 HIS 5 21.424 -31.743 6.888 1.00 23.30 ATOM 72 HD1 HIS 5 20.998 -32.627 6.903 1.00 54.22 ATOM 73 CD2 HIS 5 21.891 -29.668 6.406 1.00 22.15 ATOM 74 HD2 HIS 5 21.886 -28.673 5.981 1.00 30.44 ATOM 75 CE1 HIS 5 22.475 -31.404 7.606 1.00 14.12 ATOM 76 HE1 HIS 5 22.997 -32.044 8.302 1.00 53.45 ATOM 77 NE2 HIS 5 22.779 -30.153 7.333 1.00 50.04 ATOM 78 HE2 HIS 5 23.435 -29.614 7.825 1.00 37.42 ATOM 79 C HIS 5 17.474 -30.017 4.685 1.00 72.42 ATOM 80 O HIS 5 17.033 -28.949 4.255 1.00 23.11 ATOM 81 N HIS 6 17.016 -31.201 4.275 1.00 32.10 ATOM 82 HN HIS 6 17.459 -32.016 4.593 1.00 37.42 ATOM 83 CA HIS 6 15.877 -31.321 3.360 1.00 62.04 ATOM 84 HA HIS 6 16.118 -30.775 2.460 1.00 11.44 ATOM 85 CB HIS 6 15.651 -32.800 3.006 1.00 23.13 ATOM 86 HB1 HIS 6 15.171 -33.294 3.840 1.00 37.42 ATOM 87 HB2 HIS 6 16.608 -33.267 2.825 1.00 52.43 ATOM 88 CG HIS 6 14.801 -33.014 1.787 1.00 71.45 ATOM 89 ND1 HIS 6 15.281 -32.863 0.504 1.00 40.51 ATOM 90 HD1 HIS 6 16.200 -32.615 0.259 1.00 40.21 ATOM 91 CD2 HIS 6 13.499 -33.362 1.655 1.00 52.44 ATOM 92 HD2 HIS 6 12.804 -33.566 2.457 1.00 72.13 ATOM 93 CE1 HIS 6 14.318 -33.103 -0.358 1.00 13.21 ATOM 94 HE1 HIS 6 14.406 -33.058 -1.434 1.00 54.45 ATOM 95 NE2 HIS 6 13.228 -33.409 0.312 1.00 3.23 ATOM 96 HE2 HIS 6 12.411 -33.779 -0.088 1.00 37.42 ATOM 97 C HIS 6 14.608 -30.700 3.989 1.00 20.23 ATOM 98 O HIS 6 14.581 -30.424 5.187 1.00 54.31 ATOM 99 N HIS 7 13.575 -30.469 3.167 1.00 15.44 ATOM 100 HN HIS 7 13.639 -30.775 2.237 1.00 37.42 ATOM 101 CA HIS 7 12.352 -29.747 3.583 1.00 43.54 ATOM 102 HA HIS 7 11.605 -29.939 2.823 1.00 70.21 ATOM 103 CB HIS 7 11.806 -30.242 4.936 1.00 4.12 ATOM 104 HB1 HIS 7 10.969 -29.621 5.226 1.00 37.42 ATOM 105 HB2 HIS 7 12.581 -30.158 5.683 1.00 73.44 ATOM 106 CG HIS 7 11.335 -31.667 4.921 1.00 25.24 ATOM 107 ND1 HIS 7 10.038 -32.024 4.633 1.00 63.22 ATOM 108 HD1 HIS 7 9.307 -31.406 4.423 1.00 35.32 ATOM 109 CD2 HIS 7 11.992 -32.827 5.167 1.00 31.43 ATOM 110 HD2 HIS 7 13.037 -32.930 5.429 1.00 11.22 ATOM 111 CE1 HIS 7 9.916 -33.334 4.700 1.00 34.20 ATOM 112 HE1 HIS 7 9.009 -33.892 4.522 1.00 45.23 ATOM 113 NE2 HIS 7 11.084 -33.846 5.020 1.00 25.00 ATOM 114 HE2 HIS 7 11.218 -34.769 5.328 1.00 37.42 ATOM 115 C HIS 7 12.594 -28.225 3.624 1.00 63.40 ATOM 116 O HIS 7 11.652 -27.434 3.597 1.00 51.03 ATOM 117 N HIS 8 13.863 -27.828 3.710 1.00 11.21 ATOM 118 HN HIS 8 14.554 -28.495 3.887 1.00 37.42 ATOM 119 CA HIS 8 14.260 -26.426 3.556 1.00 61.03 ATOM 120 HA HIS 8 13.440 -25.802 3.883 1.00 20.42 ATOM 121 CB HIS 8 15.497 -26.125 4.412 1.00 24.54 ATOM 122 HB1 HIS 8 15.832 -25.119 4.205 1.00 37.42 ATOM 123 HB2 HIS 8 16.284 -26.818 4.153 1.00 44.35 ATOM 124 CG HIS 8 15.261 -26.234 5.886 1.00 71.40 ATOM 125 ND1 HIS 8 15.826 -27.216 6.669 1.00 12.22 ATOM 126 HD1 HIS 8 16.411 -27.935 6.354 1.00 53.32 ATOM 127 CD2 HIS 8 14.541 -25.455 6.725 1.00 14.44 ATOM 128 HD2 HIS 8 13.959 -24.584 6.453 1.00 12.41 ATOM 129 CE1 HIS 8 15.465 -27.037 7.923 1.00 50.12 ATOM 130 HE1 HIS 8 15.762 -27.652 8.759 1.00 0.53 ATOM 131 NE2 HIS 8 14.687 -25.977 7.986 1.00 1.14 ATOM 132 HE2 HIS 8 14.469 -25.500 8.815 1.00 37.42 ATOM 133 C HIS 8 14.574 -26.114 2.084 1.00 61.42 ATOM 134 O HIS 8 14.513 -26.998 1.223 1.00 24.14 ATOM 135 N SER 9 14.922 -24.863 1.801 1.00 33.42 ATOM 136 HN SER 9 14.925 -24.192 2.520 1.00 37.42 ATOM 137 CA SER 9 15.297 -24.455 0.440 1.00 24.10 ATOM 138 HA SER 9 15.223 -25.324 -0.199 1.00 30.45 ATOM 139 CB SER 9 14.341 -23.373 -0.088 1.00 21.10 ATOM 140 HB1 SER 9 13.325 -23.735 -0.031 1.00 37.42 ATOM 141 HB2 SER 9 14.582 -23.151 -1.117 1.00 1.13 ATOM 142 OG SER 9 14.437 -22.171 0.669 1.00 52.55 ATOM 143 HG SER 9 14.689 -21.444 0.079 1.00 45.41 ATOM 144 C SER 9 16.740 -23.934 0.390 1.00 14.33 ATOM 145 O SER 9 17.231 -23.334 1.347 1.00 62.03 ATOM 146 N HIS 10 17.418 -24.180 -0.729 1.00 51.02 ATOM 147 HN HIS 10 16.989 -24.709 -1.437 1.00 37.42 ATOM 148 CA HIS 10 18.778 -23.676 -0.946 1.00 15.13 ATOM 149 HA HIS 10 18.820 -22.678 -0.526 1.00 55.53 ATOM 150 CB HIS 10 19.819 -24.554 -0.220 1.00 73.04 ATOM 151 HB1 HIS 10 19.769 -24.346 0.839 1.00 37.42 ATOM 152 HB2 HIS 10 20.806 -24.299 -0.578 1.00 45.40 ATOM 153 CG HIS 10 19.641 -26.037 -0.404 1.00 30.03 ATOM 154 ND1 HIS 10 19.280 -26.881 0.625 1.00 61.50 ATOM 155 HD1 HIS 10 19.109 -26.613 1.550 1.00 44.01 ATOM 156 CD2 HIS 10 19.796 -26.832 -1.492 1.00 10.12 ATOM 157 HD2 HIS 10 20.076 -26.512 -2.486 1.00 54.55 ATOM 158 CE1 HIS 10 19.221 -28.119 0.182 1.00 51.32 ATOM 159 HE1 HIS 10 18.962 -28.988 0.769 1.00 45.21 ATOM 160 NE2 HIS 10 19.528 -28.119 -1.097 1.00 53.43 ATOM 161 HE2 HIS 10 19.376 -28.873 -1.705 1.00 37.42 ATOM 162 C HIS 10 19.091 -23.570 -2.447 1.00 24.03 ATOM 163 O HIS 10 19.142 -24.573 -3.158 1.00 3.20 ATOM 164 N MET 11 19.288 -22.346 -2.922 1.00 13.30 ATOM 165 HN MET 11 19.260 -21.587 -2.302 1.00 37.42 ATOM 166 CA MET 11 19.548 -22.094 -4.342 1.00 41.12 ATOM 167 HA MET 11 18.972 -22.804 -4.917 1.00 33.04 ATOM 168 CB MET 11 19.102 -20.674 -4.713 1.00 5.12 ATOM 169 HB1 MET 11 19.251 -20.528 -5.775 1.00 37.42 ATOM 170 HB2 MET 11 19.715 -19.965 -4.175 1.00 35.24 ATOM 171 CG MET 11 17.641 -20.377 -4.392 1.00 74.35 ATOM 172 HG1 MET 11 17.485 -20.498 -3.329 1.00 37.42 ATOM 173 HG2 MET 11 17.016 -21.078 -4.927 1.00 53.32 ATOM 174 SD MET 11 17.153 -18.704 -4.860 1.00 52.30 ATOM 175 CE MET 11 18.284 -17.721 -3.875 1.00 2.43 ATOM 176 HE1 MET 11 18.116 -16.672 -4.072 1.00 72.34 ATOM 177 HE2 MET 11 19.301 -17.976 -4.133 1.00 44.33 ATOM 178 HE3 MET 11 18.117 -17.921 -2.826 1.00 64.31 ATOM 179 C MET 11 21.034 -22.265 -4.687 1.00 34.23 ATOM 180 O MET 11 21.900 -22.247 -3.806 1.00 2.41 ATOM 181 N ALA 12 21.316 -22.443 -5.974 1.00 61.31 ATOM 182 HN ALA 12 20.580 -22.562 -6.608 1.00 37.42 ATOM 183 CA ALA 12 22.693 -22.463 -6.471 1.00 74.35 ATOM 184 HA ALA 12 23.286 -23.067 -5.797 1.00 40.40 ATOM 185 CB ALA 12 22.745 -23.101 -7.857 1.00 13.02 ATOM 186 HB1 ALA 12 22.136 -22.529 -8.543 1.00 52.43 ATOM 187 HB2 ALA 12 22.372 -24.113 -7.804 1.00 65.32 ATOM 188 HB3 ALA 12 23.767 -23.113 -8.211 1.00 41.24 ATOM 189 C ALA 12 23.271 -21.040 -6.506 1.00 0.34 ATOM 190 O ALA 12 22.521 -20.060 -6.549 1.00 45.42 ATOM 191 N ASN 13 24.596 -20.929 -6.503 1.00 32.32 ATOM 192 HN ASN 13 25.142 -21.742 -6.550 1.00 37.42 ATOM 193 CA ASN 13 25.263 -19.621 -6.443 1.00 64.13 ATOM 194 HA ASN 13 24.832 -19.075 -5.614 1.00 32.04 ATOM 195 CB ASN 13 26.765 -19.799 -6.176 1.00 62.51 ATOM 196 HB1 ASN 13 27.236 -18.827 -6.126 1.00 37.42 ATOM 197 HB2 ASN 13 27.205 -20.365 -6.986 1.00 3.23 ATOM 198 CG ASN 13 27.038 -20.531 -4.873 1.00 31.00 ATOM 199 OD1 ASN 13 26.256 -20.461 -3.931 1.00 12.51 ATOM 200 ND2 ASN 13 28.151 -21.228 -4.805 1.00 44.04 ATOM 201 HD21 ASN 13 28.742 -21.235 -5.588 1.00 3.24 ATOM 202 HD22 ASN 13 28.342 -21.710 -3.976 1.00 1.42 ATOM 203 C ASN 13 25.037 -18.802 -7.725 1.00 22.43 ATOM 204 O ASN 13 25.797 -18.905 -8.688 1.00 0.13 ATOM 205 N GLY 14 23.972 -18.003 -7.727 1.00 20.03 ATOM 206 HN GLY 14 23.384 -17.993 -6.942 1.00 37.42 ATOM 207 CA GLY 14 23.654 -17.154 -8.871 1.00 71.35 ATOM 208 HA1 GLY 14 22.974 -17.685 -9.521 1.00 37.42 ATOM 209 HA2 GLY 14 24.565 -16.944 -9.416 1.00 62.21 ATOM 210 C GLY 14 23.011 -15.831 -8.461 1.00 5.12 ATOM 211 O GLY 14 22.599 -15.664 -7.313 1.00 65.25 ATOM 212 N ALA 15 22.922 -14.889 -9.398 1.00 71.44 ATOM 213 HN ALA 15 23.233 -15.092 -10.307 1.00 37.42 ATOM 214 CA ALA 15 22.363 -13.559 -9.116 1.00 12.40 ATOM 215 HA ALA 15 21.468 -13.694 -8.523 1.00 11.55 ATOM 216 CB ALA 15 23.352 -12.731 -8.297 1.00 62.33 ATOM 217 HB1 ALA 15 24.243 -12.548 -8.882 1.00 53.45 ATOM 218 HB2 ALA 15 23.619 -13.271 -7.400 1.00 22.45 ATOM 219 HB3 ALA 15 22.900 -11.787 -8.026 1.00 42.30 ATOM 220 C ALA 15 21.992 -12.814 -10.407 1.00 75.43 ATOM 221 O ALA 15 22.454 -13.165 -11.495 1.00 3.33 ATOM 222 N ALA 16 21.154 -11.786 -10.280 1.00 60.41 ATOM 223 HN ALA 16 20.799 -11.569 -9.391 1.00 37.42 ATOM 224 CA ALA 16 20.745 -10.969 -11.428 1.00 75.21 ATOM 225 HA ALA 16 20.609 -11.631 -12.273 1.00 12.00 ATOM 226 CB ALA 16 19.408 -10.291 -11.142 1.00 22.34 ATOM 227 HB1 ALA 16 19.511 -9.633 -10.292 1.00 61.14 ATOM 228 HB2 ALA 16 18.662 -11.043 -10.924 1.00 4.34 ATOM 229 HB3 ALA 16 19.098 -9.719 -12.005 1.00 41.32 ATOM 230 C ALA 16 21.820 -9.926 -11.785 1.00 10.15 ATOM 231 O ALA 16 22.004 -8.935 -11.076 1.00 41.04 ATOM 232 N GLY 17 22.520 -10.151 -12.896 1.00 52.54 ATOM 233 HN GLY 17 22.285 -10.919 -13.459 1.00 37.42 ATOM 234 CA GLY 17 23.631 -9.280 -13.284 1.00 3.43 ATOM 235 HA1 GLY 17 24.270 -9.826 -13.963 1.00 37.42 ATOM 236 HA2 GLY 17 24.203 -9.036 -12.401 1.00 2.41 ATOM 237 C GLY 17 23.204 -7.974 -13.960 1.00 75.30 ATOM 238 O GLY 17 24.033 -7.285 -14.555 1.00 41.12 ATOM 239 N THR 18 21.922 -7.623 -13.859 1.00 42.52 ATOM 240 HN THR 18 21.311 -8.205 -13.362 1.00 37.42 ATOM 241 CA THR 18 21.389 -6.399 -14.481 1.00 74.53 ATOM 242 HA THR 18 21.445 -6.522 -15.554 1.00 33.15 ATOM 243 CB THR 18 19.904 -6.172 -14.098 1.00 52.32 ATOM 244 HB THR 18 19.848 -5.987 -13.034 1.00 13.04 ATOM 245 OG1 THR 18 19.128 -7.341 -14.404 1.00 25.44 ATOM 246 HG1 THR 18 18.395 -7.101 -14.984 1.00 24.32 ATOM 247 CG2 THR 18 19.320 -4.965 -14.830 1.00 33.10 ATOM 248 HG21 THR 18 19.401 -5.116 -15.897 1.00 64.11 ATOM 249 HG22 THR 18 19.865 -4.074 -14.551 1.00 44.04 ATOM 250 HG23 THR 18 18.280 -4.848 -14.562 1.00 44.51 ATOM 251 C THR 18 22.195 -5.151 -14.081 1.00 54.22 ATOM 252 O THR 18 22.697 -4.420 -14.934 1.00 31.24 ATOM 253 N LYS 19 22.318 -4.921 -12.776 1.00 43.35 ATOM 254 HN LYS 19 21.903 -5.545 -12.145 1.00 37.42 ATOM 255 CA LYS 19 23.044 -3.754 -12.256 1.00 73.25 ATOM 256 HA LYS 19 22.715 -2.889 -12.816 1.00 45.50 ATOM 257 CB LYS 19 22.695 -3.540 -10.775 1.00 23.20 ATOM 258 HB1 LYS 19 21.634 -3.347 -10.695 1.00 37.42 ATOM 259 HB2 LYS 19 23.234 -2.676 -10.413 1.00 64.42 ATOM 260 CG LYS 19 23.032 -4.725 -9.870 1.00 1.24 ATOM 261 HG1 LYS 19 24.105 -4.862 -9.858 1.00 37.42 ATOM 262 HG2 LYS 19 22.560 -5.614 -10.264 1.00 33.33 ATOM 263 CD LYS 19 22.545 -4.500 -8.438 1.00 20.12 ATOM 264 HD1 LYS 19 21.470 -4.376 -8.448 1.00 37.42 ATOM 265 HD2 LYS 19 23.004 -3.602 -8.047 1.00 11.32 ATOM 266 CE LYS 19 22.899 -5.669 -7.525 1.00 72.44 ATOM 267 HE1 LYS 19 23.974 -5.727 -7.436 1.00 37.42 ATOM 268 HE2 LYS 19 22.526 -6.583 -7.964 1.00 71.24 ATOM 269 NZ LYS 19 22.311 -5.512 -6.168 1.00 42.50 ATOM 270 HZ1 LYS 19 22.742 -6.192 -5.508 1.00 61.20 ATOM 271 HZ2 LYS 19 21.287 -5.689 -6.197 1.00 40.12 ATOM 272 HZ3 LYS 19 22.474 -4.550 -5.811 1.00 12.14 ATOM 273 C LYS 19 24.566 -3.899 -12.431 1.00 75.10 ATOM 274 O LYS 19 25.274 -2.917 -12.666 1.00 10.40 ATOM 275 N VAL 20 25.062 -5.133 -12.341 1.00 41.23 ATOM 276 HN VAL 20 24.446 -5.883 -12.219 1.00 37.42 ATOM 277 CA VAL 20 26.505 -5.396 -12.430 1.00 22.13 ATOM 278 HA VAL 20 27.004 -4.645 -11.852 1.00 22.45 ATOM 279 CB VAL 20 26.857 -6.789 -11.839 1.00 41.20 ATOM 280 HB VAL 20 26.444 -7.547 -12.492 1.00 22.22 ATOM 281 CG1 VAL 20 28.371 -7.001 -11.768 1.00 25.11 ATOM 282 HG11 VAL 20 28.788 -6.968 -12.765 1.00 11.31 ATOM 283 HG12 VAL 20 28.581 -7.962 -11.322 1.00 13.32 ATOM 284 HG13 VAL 20 28.817 -6.221 -11.167 1.00 61.33 ATOM 285 CG2 VAL 20 26.219 -6.958 -10.458 1.00 71.20 ATOM 286 HG21 VAL 20 26.437 -7.946 -10.078 1.00 13.44 ATOM 287 HG22 VAL 20 25.148 -6.831 -10.534 1.00 34.24 ATOM 288 HG23 VAL 20 26.621 -6.216 -9.781 1.00 71.34 ATOM 289 C VAL 20 27.006 -5.290 -13.877 1.00 44.21 ATOM 290 O VAL 20 28.206 -5.181 -14.137 1.00 44.15 ATOM 291 N ALA 21 26.065 -5.275 -14.803 1.00 62.10 ATOM 292 HN ALA 21 25.134 -5.341 -14.511 1.00 37.42 ATOM 293 CA ALA 21 26.366 -5.165 -16.236 1.00 51.52 ATOM 294 HA ALA 21 27.012 -5.992 -16.502 1.00 2.12 ATOM 295 CB ALA 21 25.084 -5.288 -17.053 1.00 60.21 ATOM 296 HB1 ALA 21 24.587 -6.216 -16.809 1.00 44.31 ATOM 297 HB2 ALA 21 25.324 -5.277 -18.107 1.00 3.53 ATOM 298 HB3 ALA 21 24.429 -4.460 -16.826 1.00 12.55 ATOM 299 C ALA 21 27.086 -3.846 -16.570 1.00 33.55 ATOM 300 O ALA 21 27.754 -3.735 -17.599 1.00 61.11 ATOM 301 N LEU 22 26.948 -2.855 -15.691 1.00 1.01 ATOM 302 HN LEU 22 26.386 -2.999 -14.900 1.00 37.42 ATOM 303 CA LEU 22 27.598 -1.553 -15.874 1.00 43.01 ATOM 304 HA LEU 22 27.476 -1.267 -16.910 1.00 20.41 ATOM 305 CB LEU 22 26.917 -0.499 -14.985 1.00 22.15 ATOM 306 HB1 LEU 22 27.397 0.454 -15.160 1.00 37.42 ATOM 307 HB2 LEU 22 27.074 -0.775 -13.951 1.00 21.41 ATOM 308 CG LEU 22 25.405 -0.323 -15.214 1.00 62.44 ATOM 309 HG LEU 22 24.907 -1.259 -15.001 1.00 72.04 ATOM 310 CD1 LEU 22 24.830 0.730 -14.269 1.00 53.42 ATOM 311 HD11 LEU 22 25.313 1.680 -14.447 1.00 13.13 ATOM 312 HD12 LEU 22 24.999 0.427 -13.246 1.00 4.52 ATOM 313 HD13 LEU 22 23.768 0.829 -14.442 1.00 42.25 ATOM 314 CD2 LEU 22 25.118 0.040 -16.670 1.00 53.42 ATOM 315 HD21 LEU 22 25.493 -0.741 -17.316 1.00 23.50 ATOM 316 HD22 LEU 22 25.603 0.974 -16.915 1.00 60.12 ATOM 317 HD23 LEU 22 24.051 0.140 -16.812 1.00 73.55 ATOM 318 C LEU 22 29.106 -1.615 -15.554 1.00 11.21 ATOM 319 O LEU 22 29.878 -0.773 -16.011 1.00 63.22 ATOM 320 N ARG 23 29.508 -2.602 -14.744 1.00 42.34 ATOM 321 HN ARG 23 28.834 -3.234 -14.409 1.00 37.42 ATOM 322 CA ARG 23 30.920 -2.799 -14.345 1.00 0.14 ATOM 323 HA ARG 23 30.948 -3.702 -13.752 1.00 34.41 ATOM 324 CB ARG 23 31.829 -3.012 -15.575 1.00 62.42 ATOM 325 HB1 ARG 23 32.837 -2.717 -15.316 1.00 37.42 ATOM 326 HB2 ARG 23 31.480 -2.377 -16.376 1.00 61.24 ATOM 327 CG ARG 23 31.877 -4.449 -16.097 1.00 23.34 ATOM 328 HG1 ARG 23 32.143 -5.105 -15.278 1.00 37.42 ATOM 329 HG2 ARG 23 32.633 -4.515 -16.865 1.00 42.31 ATOM 330 CD ARG 23 30.549 -4.910 -16.686 1.00 44.24 ATOM 331 HD1 ARG 23 30.271 -4.238 -17.485 1.00 37.42 ATOM 332 HD2 ARG 23 29.796 -4.879 -15.912 1.00 25.41 ATOM 333 NE ARG 23 30.626 -6.274 -17.215 1.00 23.32 ATOM 334 HE ARG 23 31.366 -6.839 -16.906 1.00 33.14 ATOM 335 CZ ARG 23 29.769 -6.784 -18.062 1.00 63.42 ATOM 336 NH1 ARG 23 28.796 -6.064 -18.529 1.00 5.21 ATOM 337 HH11 ARG 23 28.696 -5.112 -18.247 1.00 4.04 ATOM 338 HH12 ARG 23 28.146 -6.468 -19.171 1.00 72.31 ATOM 339 NH2 ARG 23 29.896 -8.007 -18.461 1.00 12.04 ATOM 340 HH21 ARG 23 30.651 -8.572 -18.128 1.00 24.22 ATOM 341 HH22 ARG 23 29.230 -8.390 -19.102 1.00 54.35 ATOM 342 C ARG 23 31.492 -1.654 -13.473 1.00 73.23 ATOM 343 O ARG 23 32.597 -1.781 -12.946 1.00 1.11 ATOM 344 N LYS 24 30.759 -0.546 -13.319 1.00 1.43 ATOM 345 HN LYS 24 29.889 -0.485 -13.755 1.00 37.42 ATOM 346 CA LYS 24 31.245 0.587 -12.509 1.00 11.21 ATOM 347 HA LYS 24 32.183 0.916 -12.937 1.00 13.03 ATOM 348 CB LYS 24 30.252 1.758 -12.541 1.00 54.22 ATOM 349 HB1 LYS 24 30.616 2.538 -11.884 1.00 37.42 ATOM 350 HB2 LYS 24 29.298 1.411 -12.172 1.00 43.43 ATOM 351 CG LYS 24 30.037 2.362 -13.925 1.00 1.41 ATOM 352 HG1 LYS 24 29.509 1.647 -14.541 1.00 37.42 ATOM 353 HG2 LYS 24 31.000 2.577 -14.367 1.00 34.01 ATOM 354 CD LYS 24 29.225 3.655 -13.856 1.00 22.21 ATOM 355 HD1 LYS 24 29.115 4.050 -14.856 1.00 37.42 ATOM 356 HD2 LYS 24 29.756 4.371 -13.245 1.00 71.44 ATOM 357 CE LYS 24 27.838 3.434 -13.260 1.00 24.15 ATOM 358 HE1 LYS 24 27.940 2.920 -12.315 1.00 37.42 ATOM 359 HE2 LYS 24 27.260 2.826 -13.939 1.00 52.52 ATOM 360 NZ LYS 24 27.120 4.716 -13.036 1.00 41.43 ATOM 361 HZ1 LYS 24 27.589 5.259 -12.279 1.00 13.22 ATOM 362 HZ2 LYS 24 26.137 4.533 -12.754 1.00 23.52 ATOM 363 HZ3 LYS 24 27.118 5.286 -13.904 1.00 2.22 ATOM 364 C LYS 24 31.494 0.168 -11.053 1.00 4.11 ATOM 365 O LYS 24 32.633 0.168 -10.579 1.00 72.11 ATOM 366 N THR 25 30.424 -0.184 -10.344 1.00 62.03 ATOM 367 HN THR 25 29.536 -0.133 -10.756 1.00 37.42 ATOM 368 CA THR 25 30.539 -0.648 -8.960 1.00 44.54 ATOM 369 HA THR 25 31.411 -0.178 -8.521 1.00 4.10 ATOM 370 CB THR 25 29.309 -0.255 -8.115 1.00 71.30 ATOM 371 HB THR 25 29.423 -0.669 -7.121 1.00 35.13 ATOM 372 OG1 THR 25 28.113 -0.786 -8.706 1.00 1.31 ATOM 373 HG1 THR 25 28.151 -1.752 -8.690 1.00 73.42 ATOM 374 CG2 THR 25 29.203 1.258 -8.001 1.00 53.11 ATOM 375 HG21 THR 25 30.117 1.648 -7.575 1.00 63.22 ATOM 376 HG22 THR 25 28.370 1.515 -7.364 1.00 72.42 ATOM 377 HG23 THR 25 29.052 1.683 -8.983 1.00 24.44 ATOM 378 C THR 25 30.713 -2.165 -8.895 1.00 31.24 ATOM 379 O THR 25 29.781 -2.924 -9.168 1.00 51.10 ATOM 380 N LYS 26 31.913 -2.597 -8.533 1.00 44.25 ATOM 381 HN LYS 26 32.616 -1.937 -8.352 1.00 37.42 ATOM 382 CA LYS 26 32.210 -4.023 -8.389 1.00 3.20 ATOM 383 HA LYS 26 31.798 -4.539 -9.247 1.00 42.14 ATOM 384 CB LYS 26 33.725 -4.251 -8.347 1.00 54.51 ATOM 385 HB1 LYS 26 33.919 -5.311 -8.426 1.00 37.42 ATOM 386 HB2 LYS 26 34.099 -3.902 -7.399 1.00 34.41 ATOM 387 CG LYS 26 34.495 -3.544 -9.467 1.00 44.14 ATOM 388 HG1 LYS 26 34.380 -2.476 -9.349 1.00 37.42 ATOM 389 HG2 LYS 26 34.081 -3.846 -10.418 1.00 52.45 ATOM 390 CD LYS 26 35.984 -3.888 -9.447 1.00 20.54 ATOM 391 HD1 LYS 26 36.475 -3.361 -10.254 1.00 37.42 ATOM 392 HD2 LYS 26 36.097 -4.952 -9.594 1.00 53.25 ATOM 393 CE LYS 26 36.651 -3.502 -8.127 1.00 32.12 ATOM 394 HE1 LYS 26 37.653 -3.908 -8.114 1.00 37.42 ATOM 395 HE2 LYS 26 36.085 -3.930 -7.313 1.00 72.15 ATOM 396 NZ LYS 26 36.727 -2.028 -7.935 1.00 51.43 ATOM 397 HZ1 LYS 26 37.418 -1.616 -8.597 1.00 51.15 ATOM 398 HZ2 LYS 26 37.025 -1.807 -6.964 1.00 13.43 ATOM 399 HZ3 LYS 26 35.800 -1.591 -8.108 1.00 61.25 ATOM 400 C LYS 26 31.545 -4.570 -7.114 1.00 35.43 ATOM 401 O LYS 26 31.574 -3.924 -6.066 1.00 24.45 ATOM 402 N GLN 27 30.957 -5.758 -7.203 1.00 1.12 ATOM 403 HN GLN 27 31.102 -6.298 -8.006 1.00 37.42 ATOM 404 CA GLN 27 30.112 -6.277 -6.114 1.00 31.24 ATOM 405 HA GLN 27 29.702 -5.418 -5.598 1.00 51.02 ATOM 406 CB GLN 27 28.932 -7.090 -6.685 1.00 34.44 ATOM 407 HB1 GLN 27 28.338 -6.438 -7.313 1.00 37.42 ATOM 408 HB2 GLN 27 28.317 -7.430 -5.864 1.00 33.52 ATOM 409 CG GLN 27 29.330 -8.311 -7.512 1.00 42.54 ATOM 410 HG1 GLN 27 29.905 -8.981 -6.887 1.00 37.42 ATOM 411 HG2 GLN 27 29.942 -7.983 -8.340 1.00 2.12 ATOM 412 CD GLN 27 28.133 -9.074 -8.065 1.00 3.13 ATOM 413 OE1 GLN 27 28.214 -9.699 -9.116 1.00 34.14 ATOM 414 NE2 GLN 27 27.019 -9.043 -7.359 1.00 22.30 ATOM 415 HE21 GLN 27 27.013 -8.545 -6.516 1.00 72.53 ATOM 416 HE22 GLN 27 26.234 -9.505 -7.716 1.00 1.54 ATOM 417 C GLN 27 30.904 -7.105 -5.082 1.00 43.34 ATOM 418 O GLN 27 30.919 -6.772 -3.896 1.00 14.24 ATOM 419 N ALA 28 31.565 -8.172 -5.533 1.00 0.44 ATOM 420 HN ALA 28 31.564 -8.358 -6.493 1.00 37.42 ATOM 421 CA ALA 28 32.306 -9.069 -4.634 1.00 42.31 ATOM 422 HA ALA 28 32.850 -8.457 -3.927 1.00 34.35 ATOM 423 CB ALA 28 31.342 -9.955 -3.852 1.00 43.01 ATOM 424 HB1 ALA 28 30.622 -9.337 -3.335 1.00 63.23 ATOM 425 HB2 ALA 28 31.894 -10.542 -3.131 1.00 5.12 ATOM 426 HB3 ALA 28 30.824 -10.617 -4.533 1.00 23.21 ATOM 427 C ALA 28 33.305 -9.935 -5.413 1.00 43.25 ATOM 428 O ALA 28 33.039 -10.322 -6.552 1.00 70.12 ATOM 429 N ALA 29 34.447 -10.244 -4.792 1.00 54.03 ATOM 430 HN ALA 29 34.579 -9.942 -3.867 1.00 37.42 ATOM 431 CA ALA 29 35.521 -11.019 -5.448 1.00 61.45 ATOM 432 HA ALA 29 35.931 -10.403 -6.236 1.00 14.02 ATOM 433 CB ALA 29 36.640 -11.305 -4.455 1.00 10.34 ATOM 434 HB1 ALA 29 37.459 -11.796 -4.962 1.00 1.12 ATOM 435 HB2 ALA 29 36.271 -11.946 -3.667 1.00 60.42 ATOM 436 HB3 ALA 29 36.989 -10.376 -4.027 1.00 74.54 ATOM 437 C ALA 29 35.011 -12.331 -6.071 1.00 32.34 ATOM 438 O ALA 29 35.668 -12.911 -6.936 1.00 3.42 ATOM 439 N GLU 30 33.839 -12.782 -5.628 1.00 3.12 ATOM 440 HN GLU 30 33.404 -12.307 -4.895 1.00 37.42 ATOM 441 CA GLU 30 33.184 -13.972 -6.187 1.00 65.11 ATOM 442 HA GLU 30 33.783 -14.836 -5.937 1.00 11.30 ATOM 443 CB GLU 30 31.782 -14.134 -5.574 1.00 62.53 ATOM 444 HB1 GLU 30 31.439 -15.142 -5.760 1.00 37.42 ATOM 445 HB2 GLU 30 31.110 -13.443 -6.062 1.00 54.44 ATOM 446 CG GLU 30 31.709 -13.875 -4.068 1.00 21.45 ATOM 447 HG1 GLU 30 30.684 -14.001 -3.747 1.00 37.42 ATOM 448 HG2 GLU 30 32.013 -12.854 -3.879 1.00 25.52 ATOM 449 CD GLU 30 32.593 -14.803 -3.249 1.00 75.43 ATOM 450 OE1 GLU 30 33.729 -14.407 -2.910 1.00 21.40 ATOM 451 OE2 GLU 30 32.150 -15.927 -2.930 1.00 60.55 ATOM 452 C GLU 30 33.053 -13.873 -7.720 1.00 62.40 ATOM 453 O GLU 30 33.161 -14.873 -8.433 1.00 52.24 ATOM 454 N LYS 31 32.800 -12.657 -8.213 1.00 60.02 ATOM 455 HN LYS 31 32.715 -11.908 -7.589 1.00 37.42 ATOM 456 CA LYS 31 32.636 -12.411 -9.655 1.00 41.23 ATOM 457 HA LYS 31 32.894 -13.324 -10.174 1.00 45.52 ATOM 458 CB LYS 31 31.164 -12.072 -9.964 1.00 53.40 ATOM 459 HB1 LYS 31 30.864 -11.235 -9.347 1.00 37.42 ATOM 460 HB2 LYS 31 30.552 -12.926 -9.712 1.00 71.01 ATOM 461 CG LYS 31 30.895 -11.708 -11.427 1.00 71.21 ATOM 462 HG1 LYS 31 31.245 -12.516 -12.057 1.00 37.42 ATOM 463 HG2 LYS 31 31.442 -10.808 -11.666 1.00 21.42 ATOM 464 CD LYS 31 29.410 -11.465 -11.708 1.00 12.10 ATOM 465 HD1 LYS 31 29.324 -10.822 -12.574 1.00 37.42 ATOM 466 HD2 LYS 31 28.968 -10.973 -10.855 1.00 40.04 ATOM 467 CE LYS 31 28.642 -12.759 -11.979 1.00 14.32 ATOM 468 HE1 LYS 31 29.043 -13.219 -12.872 1.00 37.42 ATOM 469 HE2 LYS 31 27.602 -12.515 -12.143 1.00 62.20 ATOM 470 NZ LYS 31 28.730 -13.730 -10.856 1.00 3.33 ATOM 471 HZ1 LYS 31 29.707 -14.072 -10.753 1.00 5.42 ATOM 472 HZ2 LYS 31 28.113 -14.545 -11.038 1.00 42.30 ATOM 473 HZ3 LYS 31 28.437 -13.280 -9.965 1.00 35.15 ATOM 474 C LYS 31 33.566 -11.287 -10.168 1.00 42.23 ATOM 475 O LYS 31 33.727 -11.112 -11.378 1.00 42.54 ATOM 476 N ILE 32 34.178 -10.521 -9.256 1.00 61.45 ATOM 477 HN ILE 32 34.021 -10.691 -8.306 1.00 37.42 ATOM 478 CA ILE 32 35.088 -9.434 -9.656 1.00 65.31 ATOM 479 HA ILE 32 34.542 -8.789 -10.332 1.00 33.24 ATOM 480 CB ILE 32 35.553 -8.574 -8.443 1.00 13.13 ATOM 481 HB ILE 32 35.999 -9.236 -7.713 1.00 21.10 ATOM 482 CG1 ILE 32 34.364 -7.846 -7.796 1.00 63.04 ATOM 483 HG11 ILE 32 33.619 -8.573 -7.505 1.00 37.42 ATOM 484 HG12 ILE 32 33.930 -7.165 -8.515 1.00 62.34 ATOM 485 CG2 ILE 32 36.612 -7.557 -8.870 1.00 44.13 ATOM 486 HG21 ILE 32 37.459 -8.074 -9.292 1.00 55.11 ATOM 487 HG22 ILE 32 36.935 -6.987 -8.011 1.00 1.41 ATOM 488 HG23 ILE 32 36.194 -6.887 -9.609 1.00 1.11 ATOM 489 CD1 ILE 32 34.737 -7.040 -6.563 1.00 32.55 ATOM 490 HD11 ILE 32 35.466 -6.288 -6.829 1.00 61.11 ATOM 491 HD12 ILE 32 35.154 -7.696 -5.813 1.00 33.31 ATOM 492 HD13 ILE 32 33.855 -6.559 -6.167 1.00 61.32 ATOM 493 C ILE 32 36.320 -9.979 -10.401 1.00 12.44 ATOM 494 O ILE 32 37.344 -10.314 -9.794 1.00 30.45 ATOM 495 N SER 33 36.200 -10.080 -11.722 1.00 2.15 ATOM 496 HN SER 33 35.336 -9.872 -12.138 1.00 37.42 ATOM 497 CA SER 33 37.305 -10.536 -12.571 1.00 10.34 ATOM 498 HA SER 33 37.551 -11.547 -12.277 1.00 20.13 ATOM 499 CB SER 33 36.885 -10.535 -14.048 1.00 41.31 ATOM 500 HB1 SER 33 37.680 -10.954 -14.647 1.00 37.42 ATOM 501 HB2 SER 33 36.692 -9.521 -14.365 1.00 41.44 ATOM 502 OG SER 33 35.708 -11.305 -14.253 1.00 61.21 ATOM 503 HG SER 33 35.851 -12.203 -13.925 1.00 63.40 ATOM 504 C SER 33 38.542 -9.652 -12.388 1.00 21.25 ATOM 505 O SER 33 39.665 -10.141 -12.396 1.00 21.42 ATOM 506 N ALA 34 38.313 -8.351 -12.191 1.00 10.12 ATOM 507 HN ALA 34 37.387 -8.039 -12.174 1.00 37.42 ATOM 508 CA ALA 34 39.394 -7.368 -12.013 1.00 15.42 ATOM 509 HA ALA 34 39.889 -7.246 -12.967 1.00 73.32 ATOM 510 CB ALA 34 38.797 -6.020 -11.623 1.00 34.32 ATOM 511 HB1 ALA 34 39.586 -5.285 -11.537 1.00 62.30 ATOM 512 HB2 ALA 34 38.285 -6.111 -10.676 1.00 74.13 ATOM 513 HB3 ALA 34 38.095 -5.704 -12.381 1.00 5.31 ATOM 514 C ALA 34 40.437 -7.806 -10.967 1.00 54.43 ATOM 515 O ALA 34 41.629 -7.554 -11.125 1.00 4.01 ATOM 516 N ASP 35 39.979 -8.460 -9.902 1.00 4.02 ATOM 517 HN ASP 35 39.023 -8.648 -9.838 1.00 37.42 ATOM 518 CA ASP 35 40.871 -8.920 -8.832 1.00 4.34 ATOM 519 HA ASP 35 41.733 -8.265 -8.810 1.00 63.45 ATOM 520 CB ASP 35 40.145 -8.833 -7.483 1.00 62.34 ATOM 521 HB1 ASP 35 39.377 -9.594 -7.444 1.00 37.42 ATOM 522 HB2 ASP 35 39.682 -7.860 -7.391 1.00 25.43 ATOM 523 CG ASP 35 41.084 -9.029 -6.306 1.00 61.40 ATOM 524 OD1 ASP 35 41.966 -8.171 -6.099 1.00 53.31 ATOM 525 OD2 ASP 35 40.941 -10.031 -5.575 1.00 35.21 ATOM 526 C ASP 35 41.349 -10.359 -9.104 1.00 30.45 ATOM 527 O ASP 35 42.366 -10.807 -8.572 1.00 43.11 ATOM 528 N LYS 36 40.602 -11.073 -9.944 1.00 50.50 ATOM 529 HN LYS 36 39.785 -10.671 -10.304 1.00 37.42 ATOM 530 CA LYS 36 40.961 -12.437 -10.351 1.00 25.40 ATOM 531 HA LYS 36 41.337 -12.955 -9.479 1.00 33.35 ATOM 532 CB LYS 36 39.698 -13.167 -10.856 1.00 11.13 ATOM 533 HB1 LYS 36 39.296 -12.618 -11.699 1.00 37.42 ATOM 534 HB2 LYS 36 38.963 -13.163 -10.064 1.00 55.04 ATOM 535 CG LYS 36 39.910 -14.623 -11.289 1.00 61.22 ATOM 536 HG1 LYS 36 39.001 -15.177 -11.100 1.00 37.42 ATOM 537 HG2 LYS 36 40.713 -15.048 -10.703 1.00 4.11 ATOM 538 CD LYS 36 40.266 -14.748 -12.773 1.00 43.24 ATOM 539 HD1 LYS 36 41.182 -14.208 -12.962 1.00 37.42 ATOM 540 HD2 LYS 36 39.467 -14.319 -13.361 1.00 53.44 ATOM 541 CE LYS 36 40.454 -16.205 -13.190 1.00 54.04 ATOM 542 HE1 LYS 36 39.538 -16.743 -12.996 1.00 37.42 ATOM 543 HE2 LYS 36 41.253 -16.636 -12.603 1.00 54.42 ATOM 544 NZ LYS 36 40.794 -16.339 -14.633 1.00 61.25 ATOM 545 HZ1 LYS 36 40.818 -17.345 -14.900 1.00 33.20 ATOM 546 HZ2 LYS 36 41.727 -15.923 -14.826 1.00 30.01 ATOM 547 HZ3 LYS 36 40.085 -15.854 -15.219 1.00 1.23 ATOM 548 C LYS 36 42.065 -12.418 -11.426 1.00 74.43 ATOM 549 O LYS 36 42.765 -13.413 -11.630 1.00 53.02 ATOM 550 N ILE 37 42.217 -11.279 -12.109 1.00 65.11 ATOM 551 HN ILE 37 41.620 -10.527 -11.914 1.00 37.42 ATOM 552 CA ILE 37 43.249 -11.124 -13.141 1.00 2.14 ATOM 553 HA ILE 37 43.100 -11.909 -13.873 1.00 44.11 ATOM 554 CB ILE 37 43.141 -9.755 -13.872 1.00 13.32 ATOM 555 HB ILE 37 43.318 -8.973 -13.144 1.00 34.05 ATOM 556 CG1 ILE 37 41.736 -9.559 -14.474 1.00 14.13 ATOM 557 HG11 ILE 37 41.715 -8.635 -15.036 1.00 37.42 ATOM 558 HG12 ILE 37 41.014 -9.499 -13.675 1.00 52.41 ATOM 559 CG2 ILE 37 44.215 -9.633 -14.955 1.00 2.24 ATOM 560 HG21 ILE 37 44.127 -8.674 -15.445 1.00 41.45 ATOM 561 HG22 ILE 37 44.088 -10.421 -15.682 1.00 54.15 ATOM 562 HG23 ILE 37 45.194 -9.716 -14.504 1.00 3.23 ATOM 563 CD1 ILE 37 41.297 -10.673 -15.403 1.00 14.43 ATOM 564 HD11 ILE 37 40.295 -10.473 -15.754 1.00 35.44 ATOM 565 HD12 ILE 37 41.313 -11.614 -14.874 1.00 22.13 ATOM 566 HD13 ILE 37 41.968 -10.722 -16.247 1.00 14.52 ATOM 567 C ILE 37 44.663 -11.267 -12.550 1.00 2.31 ATOM 568 O ILE 37 45.282 -10.287 -12.130 1.00 20.54 ATOM 569 N SER 38 45.154 -12.501 -12.496 1.00 63.43 ATOM 570 HN SER 38 44.582 -13.251 -12.758 1.00 37.42 ATOM 571 CA SER 38 46.514 -12.772 -12.019 1.00 70.23 ATOM 572 HA SER 38 46.631 -12.282 -11.063 1.00 51.53 ATOM 573 CB SER 38 46.729 -14.282 -11.833 1.00 54.24 ATOM 574 HB1 SER 38 47.724 -14.460 -11.448 1.00 37.42 ATOM 575 HB2 SER 38 46.620 -14.779 -12.786 1.00 51.30 ATOM 576 OG SER 38 45.784 -14.832 -10.925 1.00 33.43 ATOM 577 HG SER 38 46.197 -15.543 -10.420 1.00 73.54 ATOM 578 C SER 38 47.563 -12.217 -12.993 1.00 43.54 ATOM 579 O SER 38 47.430 -12.366 -14.209 1.00 33.43 ATOM 580 N LYS 39 48.608 -11.588 -12.451 1.00 12.13 ATOM 581 HN LYS 39 48.653 -11.509 -11.474 1.00 37.42 ATOM 582 CA LYS 39 49.688 -11.001 -13.259 1.00 51.02 ATOM 583 HA LYS 39 49.291 -10.119 -13.744 1.00 62.23 ATOM 584 CB LYS 39 50.849 -10.579 -12.344 1.00 2.40 ATOM 585 HB1 LYS 39 51.114 -11.416 -11.712 1.00 37.42 ATOM 586 HB2 LYS 39 50.517 -9.763 -11.718 1.00 41.32 ATOM 587 CG LYS 39 52.103 -10.128 -13.090 1.00 74.32 ATOM 588 HG1 LYS 39 51.837 -9.331 -13.770 1.00 37.42 ATOM 589 HG2 LYS 39 52.493 -10.963 -13.650 1.00 53.31 ATOM 590 CD LYS 39 53.184 -9.624 -12.136 1.00 42.44 ATOM 591 HD1 LYS 39 53.367 -10.378 -11.383 1.00 37.42 ATOM 592 HD2 LYS 39 52.837 -8.718 -11.660 1.00 63.42 ATOM 593 CE LYS 39 54.492 -9.326 -12.865 1.00 23.10 ATOM 594 HE1 LYS 39 54.305 -8.584 -13.629 1.00 37.42 ATOM 595 HE2 LYS 39 54.850 -10.234 -13.328 1.00 71.22 ATOM 596 NZ LYS 39 55.536 -8.813 -11.940 1.00 13.30 ATOM 597 HZ1 LYS 39 55.302 -7.845 -11.633 1.00 21.22 ATOM 598 HZ2 LYS 39 56.461 -8.800 -12.411 1.00 44.40 ATOM 599 HZ3 LYS 39 55.598 -9.422 -11.099 1.00 33.21 ATOM 600 C LYS 39 50.190 -11.974 -14.344 1.00 53.21 ATOM 601 O LYS 39 50.245 -11.626 -15.527 1.00 74.15 ATOM 602 N GLU 40 50.548 -13.189 -13.932 1.00 71.04 ATOM 603 HN GLU 40 50.552 -13.381 -12.969 1.00 37.42 ATOM 604 CA GLU 40 50.966 -14.241 -14.871 1.00 55.32 ATOM 605 HA GLU 40 51.888 -13.917 -15.334 1.00 5.50 ATOM 606 CB GLU 40 51.232 -15.552 -14.112 1.00 60.35 ATOM 607 HB1 GLU 40 52.111 -15.424 -13.495 1.00 37.42 ATOM 608 HB2 GLU 40 51.423 -16.339 -14.829 1.00 62.12 ATOM 609 CG GLU 40 50.078 -15.991 -13.213 1.00 61.32 ATOM 610 HG1 GLU 40 49.198 -16.140 -13.824 1.00 37.42 ATOM 611 HG2 GLU 40 49.881 -15.208 -12.495 1.00 43.32 ATOM 612 CD GLU 40 50.373 -17.275 -12.461 1.00 31.40 ATOM 613 OE1 GLU 40 49.914 -18.352 -12.904 1.00 32.50 ATOM 614 OE2 GLU 40 51.065 -17.216 -11.426 1.00 31.05 ATOM 615 C GLU 40 49.921 -14.470 -15.978 1.00 73.02 ATOM 616 O GLU 40 50.263 -14.528 -17.157 1.00 70.23 ATOM 617 N ALA 41 48.648 -14.578 -15.594 1.00 13.32 ATOM 618 HN ALA 41 48.431 -14.488 -14.644 1.00 37.42 ATOM 619 CA ALA 41 47.561 -14.808 -16.554 1.00 2.12 ATOM 620 HA ALA 41 47.765 -15.739 -17.068 1.00 0.11 ATOM 621 CB ALA 41 46.233 -14.957 -15.818 1.00 14.43 ATOM 622 HB1 ALA 41 46.311 -15.756 -15.094 1.00 13.43 ATOM 623 HB2 ALA 41 45.452 -15.189 -16.527 1.00 41.44 ATOM 624 HB3 ALA 41 45.996 -14.033 -15.310 1.00 64.25 ATOM 625 C ALA 41 47.480 -13.679 -17.592 1.00 24.43 ATOM 626 O ALA 41 47.221 -13.919 -18.773 1.00 40.42 ATOM 627 N LEU 42 47.711 -12.447 -17.140 1.00 72.23 ATOM 628 HN LEU 42 47.866 -12.315 -16.180 1.00 37.42 ATOM 629 CA LEU 42 47.742 -11.284 -18.035 1.00 43.42 ATOM 630 HA LEU 42 46.808 -11.263 -18.580 1.00 51.23 ATOM 631 CB LEU 42 47.873 -9.988 -17.203 1.00 62.13 ATOM 632 HB1 LEU 42 48.872 -9.959 -16.787 1.00 37.42 ATOM 633 HB2 LEU 42 47.171 -10.051 -16.383 1.00 1.03 ATOM 634 CG LEU 42 47.623 -8.653 -17.950 1.00 75.05 ATOM 635 HG LEU 42 46.766 -8.766 -18.601 1.00 73.35 ATOM 636 CD1 LEU 42 47.310 -7.534 -16.956 1.00 42.31 ATOM 637 HD11 LEU 42 46.415 -7.782 -16.403 1.00 24.30 ATOM 638 HD12 LEU 42 47.155 -6.607 -17.489 1.00 4.41 ATOM 639 HD13 LEU 42 48.136 -7.418 -16.268 1.00 34.43 ATOM 640 CD2 LEU 42 48.823 -8.260 -18.814 1.00 1.24 ATOM 641 HD21 LEU 42 48.623 -7.318 -19.305 1.00 2.12 ATOM 642 HD22 LEU 42 48.995 -9.021 -19.560 1.00 42.04 ATOM 643 HD23 LEU 42 49.702 -8.162 -18.192 1.00 53.24 ATOM 644 C LEU 42 48.900 -11.420 -19.040 1.00 42.03 ATOM 645 O LEU 42 48.730 -11.190 -20.240 1.00 24.11 ATOM 646 N LEU 43 50.075 -11.807 -18.539 1.00 45.02 ATOM 647 HN LEU 43 50.155 -11.955 -17.572 1.00 37.42 ATOM 648 CA LEU 43 51.253 -12.018 -19.390 1.00 60.24 ATOM 649 HA LEU 43 51.453 -11.090 -19.909 1.00 52.11 ATOM 650 CB LEU 43 52.475 -12.376 -18.526 1.00 51.25 ATOM 651 HB1 LEU 43 53.319 -12.538 -19.182 1.00 37.42 ATOM 652 HB2 LEU 43 52.262 -13.304 -18.010 1.00 21.02 ATOM 653 CG LEU 43 52.877 -11.321 -17.477 1.00 42.12 ATOM 654 HG LEU 43 52.053 -11.178 -16.791 1.00 40.12 ATOM 655 CD1 LEU 43 54.081 -11.793 -16.662 1.00 33.44 ATOM 656 HD11 LEU 43 53.830 -12.706 -16.141 1.00 11.01 ATOM 657 HD12 LEU 43 54.351 -11.033 -15.942 1.00 55.23 ATOM 658 HD13 LEU 43 54.917 -11.974 -17.322 1.00 32.23 ATOM 659 CD2 LEU 43 53.169 -9.976 -18.146 1.00 42.33 ATOM 660 HD21 LEU 43 53.983 -10.089 -18.848 1.00 72.52 ATOM 661 HD22 LEU 43 53.441 -9.250 -17.393 1.00 44.01 ATOM 662 HD23 LEU 43 52.288 -9.634 -18.670 1.00 64.53 ATOM 663 C LEU 43 51.001 -13.122 -20.433 1.00 32.55 ATOM 664 O LEU 43 51.337 -12.967 -21.609 1.00 24.10 ATOM 665 N GLU 44 50.400 -14.230 -19.994 1.00 22.33 ATOM 666 HN GLU 44 50.186 -14.305 -19.039 1.00 37.42 ATOM 667 CA GLU 44 50.063 -15.349 -20.889 1.00 22.13 ATOM 668 HA GLU 44 50.986 -15.741 -21.295 1.00 72.02 ATOM 669 CB GLU 44 49.354 -16.463 -20.101 1.00 2.31 ATOM 670 HB1 GLU 44 49.131 -17.278 -20.776 1.00 37.42 ATOM 671 HB2 GLU 44 48.426 -16.073 -19.709 1.00 3.25 ATOM 672 CG GLU 44 50.163 -17.020 -18.934 1.00 60.14 ATOM 673 HG1 GLU 44 49.534 -17.693 -18.368 1.00 37.42 ATOM 674 HG2 GLU 44 50.463 -16.200 -18.298 1.00 13.03 ATOM 675 CD GLU 44 51.411 -17.773 -19.370 1.00 5.44 ATOM 676 OE1 GLU 44 51.348 -19.016 -19.487 1.00 25.02 ATOM 677 OE2 GLU 44 52.464 -17.132 -19.574 1.00 3.35 ATOM 678 C GLU 44 49.163 -14.891 -22.048 1.00 35.31 ATOM 679 O GLU 44 49.411 -15.218 -23.213 1.00 14.32 ATOM 680 N CYS 45 48.115 -14.134 -21.713 1.00 34.23 ATOM 681 HN CYS 45 47.962 -13.933 -20.764 1.00 37.42 ATOM 682 CA CYS 45 47.179 -13.603 -22.716 1.00 22.41 ATOM 683 HA CYS 45 46.799 -14.440 -23.287 1.00 55.35 ATOM 684 CB CYS 45 46.000 -12.898 -22.031 1.00 12.51 ATOM 685 HB1 CYS 45 45.352 -12.477 -22.787 1.00 37.42 ATOM 686 HB2 CYS 45 46.379 -12.103 -21.407 1.00 63.43 ATOM 687 SG CYS 45 44.990 -13.976 -20.984 1.00 75.14 ATOM 688 HG CYS 45 45.759 -14.438 -20.004 1.00 12.02 ATOM 689 C CYS 45 47.876 -12.626 -23.678 1.00 24.01 ATOM 690 O CYS 45 47.715 -12.717 -24.893 1.00 44.15 ATOM 691 N ALA 46 48.649 -11.690 -23.126 1.00 54.20 ATOM 692 HN ALA 46 48.729 -11.656 -22.149 1.00 37.42 ATOM 693 CA ALA 46 49.385 -10.708 -23.938 1.00 52.33 ATOM 694 HA ALA 46 48.661 -10.147 -24.514 1.00 13.44 ATOM 695 CB ALA 46 50.130 -9.731 -23.032 1.00 34.00 ATOM 696 HB1 ALA 46 50.876 -10.264 -22.460 1.00 34.23 ATOM 697 HB2 ALA 46 49.429 -9.260 -22.357 1.00 54.21 ATOM 698 HB3 ALA 46 50.611 -8.973 -23.635 1.00 64.24 ATOM 699 C ALA 46 50.366 -11.393 -24.905 1.00 13.43 ATOM 700 O ALA 46 50.489 -11.005 -26.072 1.00 31.11 ATOM 701 N ASP 47 51.056 -12.417 -24.407 1.00 72.04 ATOM 702 HN ASP 47 50.929 -12.658 -23.464 1.00 37.42 ATOM 703 CA ASP 47 52.003 -13.196 -25.209 1.00 75.04 ATOM 704 HA ASP 47 52.793 -12.529 -25.524 1.00 12.20 ATOM 705 CB ASP 47 52.608 -14.307 -24.340 1.00 13.25 ATOM 706 HB1 ASP 47 51.812 -14.949 -23.985 1.00 37.42 ATOM 707 HB2 ASP 47 53.100 -13.857 -23.488 1.00 53.34 ATOM 708 CG ASP 47 53.624 -15.157 -25.080 1.00 41.14 ATOM 709 OD1 ASP 47 53.321 -16.332 -25.370 1.00 50.20 ATOM 710 OD2 ASP 47 54.736 -14.657 -25.361 1.00 32.51 ATOM 711 C ASP 47 51.326 -13.789 -26.461 1.00 11.10 ATOM 712 O ASP 47 51.948 -13.910 -27.520 1.00 62.42 ATOM 713 N LEU 48 50.042 -14.138 -26.337 1.00 14.11 ATOM 714 HN LEU 48 49.606 -14.043 -25.464 1.00 37.42 ATOM 715 CA LEU 48 49.266 -14.667 -27.467 1.00 52.50 ATOM 716 HA LEU 48 49.733 -15.591 -27.774 1.00 72.53 ATOM 717 CB LEU 48 47.821 -14.963 -27.039 1.00 32.45 ATOM 718 HB1 LEU 48 47.237 -15.157 -27.928 1.00 37.42 ATOM 719 HB2 LEU 48 47.423 -14.079 -26.557 1.00 32.33 ATOM 720 CG LEU 48 47.650 -16.154 -26.085 1.00 21.13 ATOM 721 HG LEU 48 48.262 -15.996 -25.207 1.00 12.31 ATOM 722 CD1 LEU 48 46.198 -16.276 -25.627 1.00 34.31 ATOM 723 HD11 LEU 48 46.097 -17.126 -24.967 1.00 25.14 ATOM 724 HD12 LEU 48 45.555 -16.411 -26.486 1.00 62.43 ATOM 725 HD13 LEU 48 45.910 -15.377 -25.100 1.00 54.41 ATOM 726 CD2 LEU 48 48.118 -17.444 -26.760 1.00 23.35 ATOM 727 HD21 LEU 48 49.162 -17.355 -27.021 1.00 32.25 ATOM 728 HD22 LEU 48 47.539 -17.614 -27.657 1.00 33.04 ATOM 729 HD23 LEU 48 47.987 -18.276 -26.083 1.00 73.44 ATOM 730 C LEU 48 49.265 -13.703 -28.661 1.00 23.33 ATOM 731 O LEU 48 49.385 -14.130 -29.806 1.00 63.52 ATOM 732 N LEU 49 49.137 -12.404 -28.392 1.00 30.15 ATOM 733 HN LEU 49 49.057 -12.117 -27.457 1.00 37.42 ATOM 734 CA LEU 49 49.119 -11.396 -29.461 1.00 22.32 ATOM 735 HA LEU 49 48.409 -11.730 -30.206 1.00 32.42 ATOM 736 CB LEU 49 48.665 -10.024 -28.931 1.00 31.14 ATOM 737 HB1 LEU 49 48.815 -9.294 -29.715 1.00 37.42 ATOM 738 HB2 LEU 49 49.296 -9.758 -28.094 1.00 60.51 ATOM 739 CG LEU 49 47.194 -9.941 -28.475 1.00 75.34 ATOM 740 HG LEU 49 46.563 -10.345 -29.254 1.00 32.41 ATOM 741 CD1 LEU 49 46.962 -10.771 -27.219 1.00 5.41 ATOM 742 HD11 LEU 49 47.597 -10.409 -26.423 1.00 2.14 ATOM 743 HD12 LEU 49 47.195 -11.806 -27.421 1.00 31.03 ATOM 744 HD13 LEU 49 45.928 -10.690 -26.918 1.00 32.33 ATOM 745 CD2 LEU 49 46.773 -8.491 -28.245 1.00 12.14 ATOM 746 HD21 LEU 49 46.910 -7.925 -29.155 1.00 21.34 ATOM 747 HD22 LEU 49 47.376 -8.059 -27.459 1.00 32.43 ATOM 748 HD23 LEU 49 45.732 -8.459 -27.957 1.00 55.53 ATOM 749 C LEU 49 50.494 -11.276 -30.130 1.00 35.22 ATOM 750 O LEU 49 50.593 -11.232 -31.354 1.00 62.12 ATOM 751 N SER 50 51.552 -11.239 -29.321 1.00 50.42 ATOM 752 HN SER 50 51.408 -11.235 -28.351 1.00 37.42 ATOM 753 CA SER 50 52.928 -11.211 -29.843 1.00 22.21 ATOM 754 HA SER 50 53.040 -10.315 -30.438 1.00 31.12 ATOM 755 CB SER 50 53.936 -11.171 -28.683 1.00 62.21 ATOM 756 HB1 SER 50 53.799 -12.046 -28.062 1.00 37.42 ATOM 757 HB2 SER 50 53.767 -10.284 -28.092 1.00 22.15 ATOM 758 OG SER 50 55.274 -11.151 -29.154 1.00 62.01 ATOM 759 HG SER 50 55.726 -11.956 -28.864 1.00 52.24 ATOM 760 C SER 50 53.198 -12.435 -30.732 1.00 42.13 ATOM 761 O SER 50 53.793 -12.329 -31.808 1.00 2.44 ATOM 762 N SER 51 52.735 -13.597 -30.276 1.00 10.13 ATOM 763 HN SER 51 52.312 -13.621 -29.389 1.00 37.42 ATOM 764 CA SER 51 52.849 -14.844 -31.046 1.00 43.40 ATOM 765 HA SER 51 53.885 -14.959 -31.337 1.00 21.43 ATOM 766 CB SER 51 52.441 -16.044 -30.175 1.00 41.03 ATOM 767 HB1 SER 51 51.443 -15.884 -29.793 1.00 37.42 ATOM 768 HB2 SER 51 53.129 -16.134 -29.346 1.00 5.10 ATOM 769 OG SER 51 52.456 -17.265 -30.910 1.00 1.02 ATOM 770 HG SER 51 53.070 -17.192 -31.654 1.00 32.44 ATOM 771 C SER 51 51.979 -14.806 -32.313 1.00 3.12 ATOM 772 O SER 51 52.430 -15.176 -33.395 1.00 53.50 ATOM 773 N ALA 52 50.740 -14.337 -32.171 1.00 54.34 ATOM 774 HN ALA 52 50.464 -13.990 -31.297 1.00 37.42 ATOM 775 CA ALA 52 49.772 -14.324 -33.278 1.00 41.20 ATOM 776 HA ALA 52 49.732 -15.325 -33.687 1.00 52.53 ATOM 777 CB ALA 52 48.379 -13.983 -32.753 1.00 21.23 ATOM 778 HB1 ALA 52 48.375 -12.974 -32.364 1.00 21.43 ATOM 779 HB2 ALA 52 48.115 -14.672 -31.963 1.00 55.22 ATOM 780 HB3 ALA 52 47.659 -14.063 -33.555 1.00 3.32 ATOM 781 C ALA 52 50.171 -13.354 -34.403 1.00 11.01 ATOM 782 O ALA 52 50.028 -13.668 -35.580 1.00 1.24 ATOM 783 N LEU 53 50.685 -12.184 -34.038 1.00 22.10 ATOM 784 HN LEU 53 50.818 -12.002 -33.084 1.00 37.42 ATOM 785 CA LEU 53 51.055 -11.156 -35.023 1.00 3.12 ATOM 786 HA LEU 53 50.207 -11.024 -35.682 1.00 74.13 ATOM 787 CB LEU 53 51.331 -9.821 -34.315 1.00 13.33 ATOM 788 HB1 LEU 53 51.769 -9.140 -35.031 1.00 37.42 ATOM 789 HB2 LEU 53 52.052 -9.999 -33.527 1.00 21.21 ATOM 790 CG LEU 53 50.094 -9.142 -33.699 1.00 51.33 ATOM 791 HG LEU 53 49.612 -9.833 -33.021 1.00 45.45 ATOM 792 CD1 LEU 53 50.490 -7.905 -32.899 1.00 2.05 ATOM 793 HD11 LEU 53 49.606 -7.450 -32.477 1.00 43.34 ATOM 794 HD12 LEU 53 50.985 -7.197 -33.548 1.00 62.42 ATOM 795 HD13 LEU 53 51.162 -8.191 -32.102 1.00 0.12 ATOM 796 CD2 LEU 53 49.088 -8.774 -34.788 1.00 45.35 ATOM 797 HD21 LEU 53 49.551 -8.107 -35.501 1.00 62.03 ATOM 798 HD22 LEU 53 48.236 -8.282 -34.339 1.00 0.20 ATOM 799 HD23 LEU 53 48.758 -9.670 -35.294 1.00 34.32 ATOM 800 C LEU 53 52.267 -11.567 -35.879 1.00 25.02 ATOM 801 O LEU 53 52.563 -10.926 -36.889 1.00 72.43 ATOM 802 N THR 54 52.964 -12.632 -35.480 1.00 31.13 ATOM 803 HN THR 54 52.702 -13.088 -34.654 1.00 37.42 ATOM 804 CA THR 54 54.117 -13.138 -36.248 1.00 3.52 ATOM 805 HA THR 54 54.441 -12.347 -36.914 1.00 52.45 ATOM 806 CB THR 54 55.306 -13.498 -35.322 1.00 41.30 ATOM 807 HB THR 54 56.097 -13.923 -35.925 1.00 75.24 ATOM 808 OG1 THR 54 54.901 -14.464 -34.338 1.00 61.40 ATOM 809 HG1 THR 54 54.586 -14.003 -33.550 1.00 72.43 ATOM 810 CG2 THR 54 55.849 -12.256 -34.620 1.00 20.40 ATOM 811 HG21 THR 54 56.679 -12.533 -33.988 1.00 55.43 ATOM 812 HG22 THR 54 55.069 -11.812 -34.017 1.00 55.15 ATOM 813 HG23 THR 54 56.183 -11.540 -35.358 1.00 72.24 ATOM 814 C THR 54 53.743 -14.365 -37.100 1.00 63.23 ATOM 815 O THR 54 54.589 -14.943 -37.788 1.00 62.44 ATOM 816 N GLU 55 52.468 -14.747 -37.056 1.00 63.51 ATOM 817 HN GLU 55 51.853 -14.271 -36.456 1.00 37.42 ATOM 818 CA GLU 55 51.936 -15.848 -37.874 1.00 14.22 ATOM 819 HA GLU 55 52.681 -16.108 -38.616 1.00 50.41 ATOM 820 CB GLU 55 51.647 -17.077 -36.992 1.00 52.24 ATOM 821 HB1 GLU 55 52.575 -17.417 -36.554 1.00 37.42 ATOM 822 HB2 GLU 55 51.248 -17.867 -37.615 1.00 15.42 ATOM 823 CG GLU 55 50.654 -16.813 -35.862 1.00 43.23 ATOM 824 HG1 GLU 55 49.736 -16.432 -36.288 1.00 37.42 ATOM 825 HG2 GLU 55 51.072 -16.068 -35.200 1.00 34.43 ATOM 826 CD GLU 55 50.332 -18.058 -35.048 1.00 55.51 ATOM 827 OE1 GLU 55 49.316 -18.724 -35.351 1.00 70.53 ATOM 828 OE2 GLU 55 51.090 -18.377 -34.103 1.00 53.50 ATOM 829 C GLU 55 50.653 -15.396 -38.598 1.00 44.42 ATOM 830 O GLU 55 50.031 -14.411 -38.199 1.00 65.04 ATOM 831 N PRO 56 50.234 -16.081 -39.685 1.00 14.12 ATOM 832 CA PRO 56 49.006 -15.698 -40.398 1.00 14.02 ATOM 833 HA PRO 56 49.011 -14.646 -40.656 1.00 3.20 ATOM 834 CB PRO 56 49.074 -16.542 -41.681 1.00 11.32 ATOM 835 HB1 PRO 56 49.541 -15.968 -42.469 1.00 37.42 ATOM 836 HB2 PRO 56 48.076 -16.832 -41.987 1.00 23.14 ATOM 837 CG PRO 56 49.901 -17.731 -41.312 1.00 13.20 ATOM 838 HG1 PRO 56 50.405 -18.117 -42.188 1.00 37.42 ATOM 839 HG2 PRO 56 49.273 -18.495 -40.874 1.00 43.41 ATOM 840 CD PRO 56 50.908 -17.239 -40.303 1.00 61.02 ATOM 841 HD1 PRO 56 51.821 -16.934 -40.795 1.00 37.42 ATOM 842 HD2 PRO 56 51.111 -18.005 -39.568 1.00 0.01 ATOM 843 C PRO 56 47.736 -16.021 -39.593 1.00 61.53 ATOM 844 O PRO 56 47.463 -17.178 -39.264 1.00 62.12 ATOM 845 N VAL 57 46.952 -14.990 -39.301 1.00 14.13 ATOM 846 HN VAL 57 47.214 -14.097 -39.607 1.00 37.42 ATOM 847 CA VAL 57 45.715 -15.133 -38.524 1.00 44.31 ATOM 848 HA VAL 57 45.369 -16.153 -38.632 1.00 43.01 ATOM 849 CB VAL 57 45.960 -14.857 -37.014 1.00 61.41 ATOM 850 HB VAL 57 44.999 -14.801 -36.516 1.00 75.32 ATOM 851 CG1 VAL 57 46.759 -15.991 -36.372 1.00 24.33 ATOM 852 HG11 VAL 57 47.743 -16.041 -36.820 1.00 64.23 ATOM 853 HG12 VAL 57 46.246 -16.927 -36.530 1.00 50.42 ATOM 854 HG13 VAL 57 46.857 -15.810 -35.311 1.00 52.04 ATOM 855 CG2 VAL 57 46.676 -13.523 -36.824 1.00 52.22 ATOM 856 HG21 VAL 57 46.081 -12.730 -37.253 1.00 1.03 ATOM 857 HG22 VAL 57 47.638 -13.556 -37.314 1.00 44.44 ATOM 858 HG23 VAL 57 46.817 -13.335 -35.768 1.00 51.34 ATOM 859 C VAL 57 44.621 -14.186 -39.043 1.00 10.12 ATOM 860 O VAL 57 44.922 -13.140 -39.619 1.00 20.22 ATOM 861 N PRO 58 43.336 -14.534 -38.848 1.00 22.51 ATOM 862 CA PRO 58 42.222 -13.663 -39.250 1.00 61.22 ATOM 863 HA PRO 58 42.313 -13.363 -40.285 1.00 14.41 ATOM 864 CB PRO 58 40.990 -14.563 -39.083 1.00 35.23 ATOM 865 HB1 PRO 58 40.762 -15.043 -40.026 1.00 37.42 ATOM 866 HB2 PRO 58 40.143 -13.972 -38.762 1.00 0.43 ATOM 867 CG PRO 58 41.387 -15.562 -38.046 1.00 63.40 ATOM 868 HG1 PRO 58 40.841 -16.483 -38.195 1.00 37.42 ATOM 869 HG2 PRO 58 41.190 -15.167 -37.059 1.00 15.22 ATOM 870 CD PRO 58 42.865 -15.793 -38.234 1.00 71.54 ATOM 871 HD1 PRO 58 43.036 -16.632 -38.894 1.00 37.42 ATOM 872 HD2 PRO 58 43.346 -15.960 -37.279 1.00 31.04 ATOM 873 C PRO 58 42.105 -12.406 -38.367 1.00 40.20 ATOM 874 O PRO 58 42.326 -12.461 -37.153 1.00 5.31 ATOM 875 N ASN 59 41.751 -11.276 -38.983 1.00 54.01 ATOM 876 HN ASN 59 41.608 -11.289 -39.954 1.00 37.42 ATOM 877 CA ASN 59 41.572 -10.011 -38.254 1.00 35.13 ATOM 878 HA ASN 59 42.539 -9.718 -37.867 1.00 51.12 ATOM 879 CB ASN 59 41.077 -8.926 -39.217 1.00 52.33 ATOM 880 HB1 ASN 59 40.182 -9.277 -39.710 1.00 37.42 ATOM 881 HB2 ASN 59 41.838 -8.743 -39.962 1.00 63.30 ATOM 882 CG ASN 59 40.759 -7.614 -38.528 1.00 10.24 ATOM 883 OD1 ASN 59 39.621 -7.351 -38.158 1.00 40.10 ATOM 884 ND2 ASN 59 41.762 -6.780 -38.351 1.00 71.22 ATOM 885 HD21 ASN 59 42.646 -7.044 -38.664 1.00 40.41 ATOM 886 HD22 ASN 59 41.570 -5.922 -37.924 1.00 51.34 ATOM 887 C ASN 59 40.601 -10.176 -37.074 1.00 13.00 ATOM 888 O ASN 59 40.788 -9.577 -36.012 1.00 52.44 ATOM 889 N SER 60 39.578 -11.008 -37.267 1.00 25.40 ATOM 890 HN SER 60 39.455 -11.408 -38.154 1.00 37.42 ATOM 891 CA SER 60 38.622 -11.338 -36.202 1.00 12.23 ATOM 892 HA SER 60 38.062 -10.445 -35.963 1.00 61.11 ATOM 893 CB SER 60 37.655 -12.425 -36.684 1.00 35.32 ATOM 894 HB1 SER 60 37.123 -12.072 -37.556 1.00 37.42 ATOM 895 HB2 SER 60 36.947 -12.653 -35.899 1.00 45.42 ATOM 896 OG SER 60 38.359 -13.611 -37.027 1.00 3.22 ATOM 897 HG SER 60 37.740 -14.260 -37.384 1.00 64.42 ATOM 898 C SER 60 39.344 -11.834 -34.941 1.00 11.40 ATOM 899 O SER 60 39.155 -11.294 -33.855 1.00 54.14 ATOM 900 N GLN 61 40.186 -12.856 -35.106 1.00 44.34 ATOM 901 HN GLN 61 40.275 -13.249 -36.000 1.00 37.42 ATOM 902 CA GLN 61 40.972 -13.419 -33.998 1.00 72.52 ATOM 903 HA GLN 61 40.278 -13.806 -33.267 1.00 4.51 ATOM 904 CB GLN 61 41.844 -14.575 -34.514 1.00 33.13 ATOM 905 HB1 GLN 61 42.473 -14.205 -35.312 1.00 37.42 ATOM 906 HB2 GLN 61 41.196 -15.344 -34.912 1.00 33.22 ATOM 907 CG GLN 61 42.744 -15.214 -33.456 1.00 4.12 ATOM 908 HG1 GLN 61 42.129 -15.560 -32.635 1.00 37.42 ATOM 909 HG2 GLN 61 43.438 -14.471 -33.092 1.00 44.21 ATOM 910 CD GLN 61 43.540 -16.394 -33.995 1.00 34.34 ATOM 911 OE1 GLN 61 43.102 -17.094 -34.902 1.00 60.22 ATOM 912 NE2 GLN 61 44.709 -16.635 -33.438 1.00 3.42 ATOM 913 HE21 GLN 61 45.005 -16.053 -32.711 1.00 72.23 ATOM 914 HE22 GLN 61 45.234 -17.390 -33.778 1.00 40.31 ATOM 915 C GLN 61 41.852 -12.351 -33.325 1.00 33.50 ATOM 916 O GLN 61 42.001 -12.337 -32.103 1.00 45.21 ATOM 917 N LEU 62 42.427 -11.461 -34.128 1.00 33.11 ATOM 918 HN LEU 62 42.274 -11.526 -35.096 1.00 37.42 ATOM 919 CA LEU 62 43.280 -10.383 -33.609 1.00 13.34 ATOM 920 HA LEU 62 44.074 -10.840 -33.035 1.00 30.21 ATOM 921 CB LEU 62 43.901 -9.595 -34.772 1.00 0.02 ATOM 922 HB1 LEU 62 44.404 -8.728 -34.367 1.00 37.42 ATOM 923 HB2 LEU 62 43.101 -9.256 -35.415 1.00 71.45 ATOM 924 CG LEU 62 44.910 -10.379 -35.624 1.00 10.33 ATOM 925 HG LEU 62 44.427 -11.259 -36.024 1.00 61.30 ATOM 926 CD1 LEU 62 45.397 -9.537 -36.801 1.00 61.13 ATOM 927 HD11 LEU 62 44.553 -9.242 -37.409 1.00 23.12 ATOM 928 HD12 LEU 62 46.083 -10.119 -37.400 1.00 31.20 ATOM 929 HD13 LEU 62 45.902 -8.655 -36.432 1.00 24.14 ATOM 930 CD2 LEU 62 46.086 -10.836 -34.764 1.00 50.43 ATOM 931 HD21 LEU 62 45.728 -11.498 -33.988 1.00 44.41 ATOM 932 HD22 LEU 62 46.561 -9.977 -34.312 1.00 21.13 ATOM 933 HD23 LEU 62 46.801 -11.360 -35.380 1.00 23.50 ATOM 934 C LEU 62 42.498 -9.427 -32.694 1.00 45.51 ATOM 935 O LEU 62 42.847 -9.240 -31.525 1.00 75.11 ATOM 936 N VAL 63 41.433 -8.832 -33.228 1.00 43.42 ATOM 937 HN VAL 63 41.179 -9.048 -34.153 1.00 37.42 ATOM 938 CA VAL 63 40.626 -7.868 -32.470 1.00 2.03 ATOM 939 HA VAL 63 41.300 -7.116 -32.077 1.00 14.13 ATOM 940 CB VAL 63 39.588 -7.159 -33.382 1.00 43.22 ATOM 941 HB VAL 63 38.846 -7.890 -33.681 1.00 75.51 ATOM 942 CG1 VAL 63 38.872 -6.040 -32.626 1.00 43.33 ATOM 943 HG11 VAL 63 38.163 -5.557 -33.282 1.00 43.13 ATOM 944 HG12 VAL 63 39.596 -5.314 -32.282 1.00 31.20 ATOM 945 HG13 VAL 63 38.350 -6.455 -31.776 1.00 65.34 ATOM 946 CG2 VAL 63 40.259 -6.618 -34.647 1.00 13.14 ATOM 947 HG21 VAL 63 40.705 -7.435 -35.197 1.00 63.42 ATOM 948 HG22 VAL 63 41.027 -5.908 -34.376 1.00 23.13 ATOM 949 HG23 VAL 63 39.522 -6.129 -35.270 1.00 53.04 ATOM 950 C VAL 63 39.906 -8.549 -31.289 1.00 14.31 ATOM 951 O VAL 63 39.783 -7.973 -30.204 1.00 4.52 ATOM 952 N ASP 64 39.444 -9.781 -31.503 1.00 14.14 ATOM 953 HN ASP 64 39.536 -10.176 -32.398 1.00 37.42 ATOM 954 CA ASP 64 38.792 -10.562 -30.445 1.00 10.54 ATOM 955 HA ASP 64 37.941 -9.995 -30.092 1.00 23.14 ATOM 956 CB ASP 64 38.301 -11.901 -31.005 1.00 64.53 ATOM 957 HB1 ASP 64 39.149 -12.463 -31.373 1.00 37.42 ATOM 958 HB2 ASP 64 37.620 -11.714 -31.825 1.00 65.24 ATOM 959 CG ASP 64 37.582 -12.736 -29.960 1.00 52.25 ATOM 960 OD1 ASP 64 36.360 -12.552 -29.785 1.00 33.32 ATOM 961 OD2 ASP 64 38.238 -13.574 -29.305 1.00 31.35 ATOM 962 C ASP 64 39.751 -10.804 -29.265 1.00 10.44 ATOM 963 O ASP 64 39.431 -10.494 -28.117 1.00 20.04 ATOM 964 N THR 65 40.931 -11.346 -29.560 1.00 12.14 ATOM 965 HN THR 65 41.124 -11.591 -30.490 1.00 37.42 ATOM 966 CA THR 65 41.947 -11.592 -28.528 1.00 43.11 ATOM 967 HA THR 65 41.506 -12.234 -27.776 1.00 31.21 ATOM 968 CB THR 65 43.185 -12.313 -29.112 1.00 12.44 ATOM 969 HB THR 65 43.675 -11.652 -29.814 1.00 44.31 ATOM 970 OG1 THR 65 42.774 -13.502 -29.802 1.00 52.11 ATOM 971 HG1 THR 65 42.878 -13.371 -30.751 1.00 14.42 ATOM 972 CG2 THR 65 44.179 -12.690 -28.019 1.00 23.15 ATOM 973 HG21 THR 65 45.023 -13.202 -28.460 1.00 62.02 ATOM 974 HG22 THR 65 43.699 -13.341 -27.302 1.00 13.43 ATOM 975 HG23 THR 65 44.521 -11.796 -27.519 1.00 24.41 ATOM 976 C THR 65 42.379 -10.278 -27.861 1.00 34.44 ATOM 977 O THR 65 42.643 -10.231 -26.659 1.00 20.43 ATOM 978 N GLY 66 42.435 -9.204 -28.644 1.00 42.24 ATOM 979 HN GLY 66 42.307 -9.306 -29.613 1.00 37.42 ATOM 980 CA GLY 66 42.694 -7.885 -28.080 1.00 74.40 ATOM 981 HA1 GLY 66 42.715 -7.161 -28.880 1.00 37.42 ATOM 982 HA2 GLY 66 43.658 -7.894 -27.593 1.00 61.23 ATOM 983 C GLY 66 41.630 -7.469 -27.064 1.00 64.24 ATOM 984 O GLY 66 41.921 -6.771 -26.092 1.00 62.01 ATOM 985 N HIS 67 40.392 -7.921 -27.282 1.00 22.31 ATOM 986 HN HIS 67 40.224 -8.481 -28.071 1.00 37.42 ATOM 987 CA HIS 67 39.279 -7.607 -26.379 1.00 34.32 ATOM 988 HA HIS 67 39.270 -6.533 -26.245 1.00 13.13 ATOM 989 CB HIS 67 37.940 -8.027 -26.997 1.00 42.31 ATOM 990 HB1 HIS 67 37.163 -7.951 -26.248 1.00 37.42 ATOM 991 HB2 HIS 67 38.010 -9.052 -27.331 1.00 72.04 ATOM 992 CG HIS 67 37.530 -7.187 -28.169 1.00 41.40 ATOM 993 ND1 HIS 67 36.757 -7.664 -29.205 1.00 14.22 ATOM 994 HD1 HIS 67 36.417 -8.580 -29.294 1.00 54.12 ATOM 995 CD2 HIS 67 37.766 -5.884 -28.452 1.00 72.21 ATOM 996 HD2 HIS 67 38.344 -5.192 -27.856 1.00 71.12 ATOM 997 CE1 HIS 67 36.538 -6.696 -30.069 1.00 15.12 ATOM 998 HE1 HIS 67 35.962 -6.780 -30.978 1.00 51.42 ATOM 999 NE2 HIS 67 37.137 -5.608 -29.638 1.00 1.30 ATOM 1000 HE2 HIS 67 37.008 -4.712 -30.015 1.00 37.42 ATOM 1001 C HIS 67 39.452 -8.261 -24.996 1.00 54.35 ATOM 1002 O HIS 67 39.134 -7.646 -23.976 1.00 5.43 ATOM 1003 N GLN 68 39.942 -9.504 -24.945 1.00 63.35 ATOM 1004 HN GLN 68 40.130 -9.990 -25.778 1.00 37.42 ATOM 1005 CA GLN 68 40.191 -10.149 -23.646 1.00 73.13 ATOM 1006 HA GLN 68 39.294 -10.020 -23.050 1.00 23.50 ATOM 1007 CB GLN 68 40.475 -11.657 -23.777 1.00 72.30 ATOM 1008 HB1 GLN 68 39.683 -12.107 -24.359 1.00 37.42 ATOM 1009 HB2 GLN 68 40.465 -12.092 -22.789 1.00 10.53 ATOM 1010 CG GLN 68 41.805 -12.009 -24.434 1.00 61.42 ATOM 1011 HG1 GLN 68 42.598 -11.490 -23.913 1.00 37.42 ATOM 1012 HG2 GLN 68 41.779 -11.681 -25.461 1.00 62.22 ATOM 1013 CD GLN 68 42.107 -13.503 -24.409 1.00 54.01 ATOM 1014 OE1 GLN 68 42.750 -14.034 -25.306 1.00 23.55 ATOM 1015 NE2 GLN 68 41.657 -14.193 -23.377 1.00 55.43 ATOM 1016 HE21 GLN 68 41.159 -13.724 -22.683 1.00 12.13 ATOM 1017 HE22 GLN 68 41.847 -15.154 -23.352 1.00 3.32 ATOM 1018 C GLN 68 41.345 -9.448 -22.917 1.00 51.41 ATOM 1019 O GLN 68 41.369 -9.382 -21.690 1.00 53.52 ATOM 1020 N LEU 69 42.297 -8.912 -23.682 1.00 62.43 ATOM 1021 HN LEU 69 42.291 -9.087 -24.649 1.00 37.42 ATOM 1022 CA LEU 69 43.357 -8.076 -23.109 1.00 54.53 ATOM 1023 HA LEU 69 43.821 -8.646 -22.315 1.00 54.12 ATOM 1024 CB LEU 69 44.426 -7.737 -24.161 1.00 30.44 ATOM 1025 HB1 LEU 69 44.831 -6.760 -23.938 1.00 37.42 ATOM 1026 HB2 LEU 69 43.947 -7.693 -25.130 1.00 13.40 ATOM 1027 CG LEU 69 45.595 -8.732 -24.242 1.00 72.24 ATOM 1028 HG LEU 69 46.227 -8.468 -25.078 1.00 21.11 ATOM 1029 CD1 LEU 69 46.445 -8.664 -22.975 1.00 65.15 ATOM 1030 HD11 LEU 69 46.838 -7.664 -22.858 1.00 21.51 ATOM 1031 HD12 LEU 69 47.265 -9.363 -23.052 1.00 1.25 ATOM 1032 HD13 LEU 69 45.839 -8.915 -22.116 1.00 61.42 ATOM 1033 CD2 LEU 69 45.080 -10.152 -24.467 1.00 71.13 ATOM 1034 HD21 LEU 69 45.917 -10.830 -24.543 1.00 51.01 ATOM 1035 HD22 LEU 69 44.506 -10.186 -25.382 1.00 71.10 ATOM 1036 HD23 LEU 69 44.452 -10.447 -23.638 1.00 61.33 ATOM 1037 C LEU 69 42.773 -6.797 -22.501 1.00 41.31 ATOM 1038 O LEU 69 43.228 -6.338 -21.457 1.00 40.34 ATOM 1039 N LEU 70 41.762 -6.227 -23.154 1.00 40.42 ATOM 1040 HN LEU 70 41.513 -6.568 -24.040 1.00 37.42 ATOM 1041 CA LEU 70 41.026 -5.091 -22.587 1.00 70.30 ATOM 1042 HA LEU 70 41.752 -4.323 -22.353 1.00 3.32 ATOM 1043 CB LEU 70 40.019 -4.520 -23.603 1.00 63.21 ATOM 1044 HB1 LEU 70 39.121 -4.229 -23.075 1.00 37.42 ATOM 1045 HB2 LEU 70 39.761 -5.303 -24.303 1.00 32.30 ATOM 1046 CG LEU 70 40.517 -3.304 -24.403 1.00 5.04 ATOM 1047 HG LEU 70 39.741 -2.993 -25.090 1.00 34.03 ATOM 1048 CD1 LEU 70 40.805 -2.132 -23.463 1.00 2.03 ATOM 1049 HD11 LEU 70 41.591 -2.404 -22.772 1.00 25.31 ATOM 1050 HD12 LEU 70 39.911 -1.886 -22.908 1.00 61.42 ATOM 1051 HD13 LEU 70 41.115 -1.273 -24.038 1.00 10.41 ATOM 1052 CD2 LEU 70 41.758 -3.662 -25.222 1.00 4.40 ATOM 1053 HD21 LEU 70 42.075 -2.800 -25.792 1.00 33.55 ATOM 1054 HD22 LEU 70 41.523 -4.470 -25.898 1.00 23.21 ATOM 1055 HD23 LEU 70 42.556 -3.967 -24.559 1.00 43.42 ATOM 1056 C LEU 70 40.312 -5.485 -21.284 1.00 42.42 ATOM 1057 O LEU 70 40.297 -4.719 -20.326 1.00 31.22 ATOM 1058 N ASP 71 39.734 -6.684 -21.253 1.00 33.21 ATOM 1059 HN ASP 71 39.728 -7.229 -22.067 1.00 37.42 ATOM 1060 CA ASP 71 39.091 -7.203 -20.039 1.00 3.11 ATOM 1061 HA ASP 71 38.304 -6.515 -19.760 1.00 33.31 ATOM 1062 CB ASP 71 38.478 -8.582 -20.320 1.00 14.31 ATOM 1063 HB1 ASP 71 39.273 -9.293 -20.508 1.00 37.42 ATOM 1064 HB2 ASP 71 37.849 -8.517 -21.197 1.00 71.43 ATOM 1065 CG ASP 71 37.638 -9.092 -19.161 1.00 11.20 ATOM 1066 OD1 ASP 71 36.421 -8.804 -19.132 1.00 75.41 ATOM 1067 OD2 ASP 71 38.188 -9.770 -18.268 1.00 21.15 ATOM 1068 C ASP 71 40.103 -7.296 -18.881 1.00 72.14 ATOM 1069 O ASP 71 39.897 -6.724 -17.803 1.00 64.55 ATOM 1070 N TYR 72 41.200 -8.014 -19.121 1.00 13.13 ATOM 1071 HN TYR 72 41.283 -8.474 -19.985 1.00 37.42 ATOM 1072 CA TYR 72 42.279 -8.153 -18.135 1.00 51.24 ATOM 1073 HA TYR 72 41.858 -8.620 -17.256 1.00 51.32 ATOM 1074 CB TYR 72 43.390 -9.060 -18.691 1.00 63.15 ATOM 1075 HB1 TYR 72 44.296 -8.901 -18.120 1.00 37.42 ATOM 1076 HB2 TYR 72 43.575 -8.797 -19.722 1.00 43.24 ATOM 1077 CG TYR 72 43.060 -10.545 -18.642 1.00 13.41 ATOM 1078 CD1 TYR 72 41.963 -11.063 -19.321 1.00 11.34 ATOM 1079 HD1 TYR 72 41.334 -10.393 -19.889 1.00 55.14 ATOM 1080 CD2 TYR 72 43.854 -11.430 -17.917 1.00 62.51 ATOM 1081 HD2 TYR 72 44.714 -11.050 -17.384 1.00 53.15 ATOM 1082 CE1 TYR 72 41.660 -12.410 -19.270 1.00 71.41 ATOM 1083 HE1 TYR 72 40.803 -12.792 -19.806 1.00 11.31 ATOM 1084 CE2 TYR 72 43.559 -12.777 -17.864 1.00 30.04 ATOM 1085 HE2 TYR 72 44.188 -13.447 -17.294 1.00 1.54 ATOM 1086 CZ TYR 72 42.463 -13.262 -18.544 1.00 41.12 ATOM 1087 OH TYR 72 42.163 -14.606 -18.480 1.00 15.03 ATOM 1088 HH TYR 72 41.935 -14.928 -19.362 1.00 51.10 ATOM 1089 C TYR 72 42.871 -6.791 -17.731 1.00 52.14 ATOM 1090 O TYR 72 42.973 -6.478 -16.549 1.00 13.32 ATOM 1091 N CYS 73 43.248 -5.986 -18.719 1.00 10.23 ATOM 1092 HN CYS 73 43.099 -6.271 -19.643 1.00 37.42 ATOM 1093 CA CYS 73 43.895 -4.688 -18.468 1.00 53.54 ATOM 1094 HA CYS 73 44.749 -4.872 -17.832 1.00 53.34 ATOM 1095 CB CYS 73 44.396 -4.080 -19.784 1.00 33.32 ATOM 1096 HB1 CYS 73 44.779 -3.086 -19.595 1.00 37.42 ATOM 1097 HB2 CYS 73 43.573 -4.015 -20.481 1.00 64.14 ATOM 1098 SG CYS 73 45.708 -5.030 -20.583 1.00 61.20 ATOM 1099 HG CYS 73 45.140 -5.982 -21.307 1.00 50.51 ATOM 1100 C CYS 73 42.968 -3.689 -17.761 1.00 31.14 ATOM 1101 O CYS 73 43.345 -3.089 -16.753 1.00 31.01 ATOM 1102 N SER 74 41.761 -3.510 -18.295 1.00 24.14 ATOM 1103 HN SER 74 41.503 -4.040 -19.079 1.00 37.42 ATOM 1104 CA SER 74 40.798 -2.545 -17.738 1.00 65.14 ATOM 1105 HA SER 74 41.276 -1.575 -17.729 1.00 55.24 ATOM 1106 CB SER 74 39.539 -2.468 -18.614 1.00 52.21 ATOM 1107 HB1 SER 74 39.029 -3.421 -18.593 1.00 37.42 ATOM 1108 HB2 SER 74 39.825 -2.240 -19.631 1.00 54.35 ATOM 1109 OG SER 74 38.646 -1.463 -18.159 1.00 15.24 ATOM 1110 HG SER 74 37.860 -1.880 -17.781 1.00 74.11 ATOM 1111 C SER 74 40.406 -2.907 -16.300 1.00 73.22 ATOM 1112 O SER 74 40.052 -2.038 -15.505 1.00 44.15 ATOM 1113 N GLY 75 40.463 -4.197 -15.973 1.00 20.33 ATOM 1114 HN GLY 75 40.689 -4.858 -16.665 1.00 37.42 ATOM 1115 CA GLY 75 40.179 -4.639 -14.613 1.00 3.20 ATOM 1116 HA1 GLY 75 39.832 -5.661 -14.651 1.00 37.42 ATOM 1117 HA2 GLY 75 39.393 -4.023 -14.200 1.00 14.34 ATOM 1118 C GLY 75 41.397 -4.572 -13.688 1.00 44.33 ATOM 1119 O GLY 75 41.328 -4.015 -12.589 1.00 33.15 ATOM 1120 N TYR 76 42.517 -5.133 -14.143 1.00 74.32 ATOM 1121 HN TYR 76 42.524 -5.504 -15.048 1.00 37.42 ATOM 1122 CA TYR 76 43.741 -5.220 -13.332 1.00 42.43 ATOM 1123 HA TYR 76 43.496 -5.769 -12.433 1.00 15.34 ATOM 1124 CB TYR 76 44.828 -5.992 -14.100 1.00 61.54 ATOM 1125 HB1 TYR 76 45.156 -5.393 -14.939 1.00 37.42 ATOM 1126 HB2 TYR 76 44.406 -6.914 -14.474 1.00 45.32 ATOM 1127 CG TYR 76 46.055 -6.347 -13.268 1.00 32.43 ATOM 1128 CD1 TYR 76 47.304 -5.788 -13.541 1.00 1.41 ATOM 1129 HD1 TYR 76 47.397 -5.083 -14.356 1.00 31.30 ATOM 1130 CD2 TYR 76 45.964 -7.253 -12.215 1.00 51.42 ATOM 1131 HD2 TYR 76 45.006 -7.699 -11.988 1.00 72.43 ATOM 1132 CE1 TYR 76 48.417 -6.120 -12.786 1.00 62.24 ATOM 1133 HE1 TYR 76 49.376 -5.674 -13.014 1.00 45.32 ATOM 1134 CE2 TYR 76 47.071 -7.586 -11.456 1.00 71.34 ATOM 1135 HE2 TYR 76 46.975 -8.290 -10.642 1.00 5.14 ATOM 1136 CZ TYR 76 48.295 -7.022 -11.746 1.00 71.41 ATOM 1137 OH TYR 76 49.401 -7.363 -10.989 1.00 52.23 ATOM 1138 HH TYR 76 49.937 -6.579 -10.829 1.00 31.44 ATOM 1139 C TYR 76 44.270 -3.833 -12.930 1.00 21.41 ATOM 1140 O TYR 76 44.879 -3.680 -11.870 1.00 63.11 ATOM 1141 N VAL 77 44.038 -2.824 -13.774 1.00 43.23 ATOM 1142 HN VAL 77 43.551 -3.001 -14.609 1.00 37.42 ATOM 1143 CA VAL 77 44.499 -1.457 -13.488 1.00 42.14 ATOM 1144 HA VAL 77 45.577 -1.489 -13.419 1.00 13.44 ATOM 1145 CB VAL 77 44.122 -0.477 -14.630 1.00 0.35 ATOM 1146 HB VAL 77 44.514 -0.877 -15.558 1.00 61.32 ATOM 1147 CG1 VAL 77 42.609 -0.351 -14.779 1.00 74.31 ATOM 1148 HG11 VAL 77 42.382 0.333 -15.585 1.00 53.24 ATOM 1149 HG12 VAL 77 42.187 0.026 -13.858 1.00 35.53 ATOM 1150 HG13 VAL 77 42.186 -1.320 -14.998 1.00 0.52 ATOM 1151 CG2 VAL 77 44.757 0.890 -14.404 1.00 4.24 ATOM 1152 HG21 VAL 77 45.835 0.796 -14.415 1.00 4.32 ATOM 1153 HG22 VAL 77 44.441 1.283 -13.448 1.00 4.35 ATOM 1154 HG23 VAL 77 44.448 1.563 -15.188 1.00 13.04 ATOM 1155 C VAL 77 43.942 -0.933 -12.149 1.00 3.41 ATOM 1156 O VAL 77 44.611 -0.183 -11.434 1.00 44.51 ATOM 1157 N ASP 78 42.728 -1.356 -11.804 1.00 5.21 ATOM 1158 HN ASP 78 42.240 -1.948 -12.416 1.00 37.42 ATOM 1159 CA ASP 78 42.097 -0.964 -10.540 1.00 3.41 ATOM 1160 HA ASP 78 42.181 0.110 -10.446 1.00 22.13 ATOM 1161 CB ASP 78 40.608 -1.350 -10.573 1.00 13.11 ATOM 1162 HB1 ASP 78 40.523 -2.429 -10.578 1.00 37.42 ATOM 1163 HB2 ASP 78 40.166 -0.960 -11.478 1.00 63.25 ATOM 1164 CG ASP 78 39.818 -0.807 -9.390 1.00 2.14 ATOM 1165 OD1 ASP 78 39.593 0.421 -9.335 1.00 53.22 ATOM 1166 OD2 ASP 78 39.394 -1.605 -8.524 1.00 73.42 ATOM 1167 C ASP 78 42.808 -1.625 -9.342 1.00 32.20 ATOM 1168 O ASP 78 42.766 -1.118 -8.220 1.00 54.54 ATOM 1169 N CYS 79 43.479 -2.750 -9.598 1.00 25.21 ATOM 1170 HN CYS 79 43.524 -3.072 -10.522 1.00 37.42 ATOM 1171 CA CYS 79 44.150 -3.525 -8.540 1.00 43.41 ATOM 1172 HA CYS 79 43.716 -3.238 -7.593 1.00 30.00 ATOM 1173 CB CYS 79 43.898 -5.025 -8.758 1.00 34.03 ATOM 1174 HB1 CYS 79 44.351 -5.327 -9.693 1.00 37.42 ATOM 1175 HB2 CYS 79 42.833 -5.199 -8.813 1.00 15.41 ATOM 1176 SG CYS 79 44.558 -6.096 -7.456 1.00 63.33 ATOM 1177 HG CYS 79 43.626 -6.994 -7.158 1.00 65.40 ATOM 1178 C CYS 79 45.669 -3.254 -8.483 1.00 75.42 ATOM 1179 O CYS 79 46.363 -3.770 -7.603 1.00 3.53 ATOM 1180 N ILE 80 46.187 -2.444 -9.413 1.00 55.12 ATOM 1181 HN ILE 80 45.595 -2.062 -10.094 1.00 37.42 ATOM 1182 CA ILE 80 47.626 -2.119 -9.442 1.00 4.03 ATOM 1183 HA ILE 80 48.168 -3.053 -9.378 1.00 51.11 ATOM 1184 CB ILE 80 48.035 -1.418 -10.769 1.00 41.34 ATOM 1185 HB ILE 80 47.428 -0.529 -10.880 1.00 64.15 ATOM 1186 CG1 ILE 80 47.787 -2.347 -11.970 1.00 21.53 ATOM 1187 HG11 ILE 80 46.734 -2.585 -12.020 1.00 37.42 ATOM 1188 HG12 ILE 80 48.350 -3.259 -11.835 1.00 2.04 ATOM 1189 CG2 ILE 80 49.503 -0.985 -10.724 1.00 3.12 ATOM 1190 HG21 ILE 80 49.655 -0.303 -9.899 1.00 72.33 ATOM 1191 HG22 ILE 80 49.763 -0.492 -11.648 1.00 64.24 ATOM 1192 HG23 ILE 80 50.132 -1.855 -10.591 1.00 63.31 ATOM 1193 CD1 ILE 80 48.193 -1.753 -13.308 1.00 41.33 ATOM 1194 HD11 ILE 80 49.247 -1.509 -13.294 1.00 72.24 ATOM 1195 HD12 ILE 80 47.619 -0.858 -13.496 1.00 22.00 ATOM 1196 HD13 ILE 80 48.003 -2.472 -14.093 1.00 31.13 ATOM 1197 C ILE 80 48.038 -1.229 -8.248 1.00 61.04 ATOM 1198 O ILE 80 47.502 -0.130 -8.065 1.00 51.45 ATOM 1199 N PRO 81 49.006 -1.693 -7.424 1.00 51.40 ATOM 1200 CA PRO 81 49.462 -0.959 -6.224 1.00 3.32 ATOM 1201 HA PRO 81 48.624 -0.603 -5.641 1.00 74.02 ATOM 1202 CB PRO 81 50.209 -2.042 -5.432 1.00 3.31 ATOM 1203 HB1 PRO 81 49.520 -2.552 -4.773 1.00 37.42 ATOM 1204 HB2 PRO 81 51.004 -1.593 -4.851 1.00 74.13 ATOM 1205 CG PRO 81 50.744 -2.963 -6.477 1.00 51.22 ATOM 1206 HG1 PRO 81 50.872 -3.954 -6.064 1.00 37.42 ATOM 1207 HG2 PRO 81 51.688 -2.588 -6.850 1.00 34.14 ATOM 1208 CD PRO 81 49.714 -2.984 -7.579 1.00 2.03 ATOM 1209 HD1 PRO 81 49.032 -3.812 -7.444 1.00 37.42 ATOM 1210 HD2 PRO 81 50.194 -3.044 -8.545 1.00 73.33 ATOM 1211 C PRO 81 50.402 0.228 -6.532 1.00 60.12 ATOM 1212 O PRO 81 50.524 1.154 -5.730 1.00 71.44 ATOM 1213 N GLN 82 51.069 0.196 -7.687 1.00 0.43 ATOM 1214 HN GLN 82 50.923 -0.553 -8.298 1.00 37.42 ATOM 1215 CA GLN 82 52.015 1.258 -8.068 1.00 54.04 ATOM 1216 HA GLN 82 52.236 1.841 -7.183 1.00 70.15 ATOM 1217 CB GLN 82 53.321 0.636 -8.585 1.00 41.32 ATOM 1218 HB1 GLN 82 53.903 1.393 -9.095 1.00 37.42 ATOM 1219 HB2 GLN 82 53.072 -0.140 -9.295 1.00 60.15 ATOM 1220 CG GLN 82 54.185 0.015 -7.492 1.00 55.41 ATOM 1221 HG1 GLN 82 53.696 -0.876 -7.124 1.00 37.42 ATOM 1222 HG2 GLN 82 54.287 0.725 -6.684 1.00 13.51 ATOM 1223 CD GLN 82 55.573 -0.356 -7.986 1.00 11.02 ATOM 1224 OE1 GLN 82 56.508 0.435 -7.905 1.00 12.12 ATOM 1225 NE2 GLN 82 55.718 -1.553 -8.507 1.00 42.05 ATOM 1226 HE21 GLN 82 54.939 -2.138 -8.550 1.00 13.12 ATOM 1227 HE22 GLN 82 56.605 -1.805 -8.837 1.00 2.31 ATOM 1228 C GLN 82 51.427 2.194 -9.135 1.00 32.53 ATOM 1229 O GLN 82 51.086 1.754 -10.232 1.00 53.33 ATOM 1230 N THR 83 51.329 3.488 -8.820 1.00 32.10 ATOM 1231 HN THR 83 51.604 3.786 -7.925 1.00 37.42 ATOM 1232 CA THR 83 50.801 4.475 -9.774 1.00 34.44 ATOM 1233 HA THR 83 49.835 4.116 -10.109 1.00 10.03 ATOM 1234 CB THR 83 50.592 5.865 -9.128 1.00 45.12 ATOM 1235 HB THR 83 51.552 6.250 -8.813 1.00 14.24 ATOM 1236 OG1 THR 83 49.732 5.755 -7.981 1.00 22.32 ATOM 1237 HG1 THR 83 49.620 6.627 -7.582 1.00 61.21 ATOM 1238 CG2 THR 83 49.976 6.843 -10.129 1.00 71.23 ATOM 1239 HG21 THR 83 50.643 6.968 -10.972 1.00 1.25 ATOM 1240 HG22 THR 83 49.819 7.799 -9.653 1.00 24.20 ATOM 1241 HG23 THR 83 49.028 6.454 -10.476 1.00 64.30 ATOM 1242 C THR 83 51.715 4.628 -10.999 1.00 54.13 ATOM 1243 O THR 83 51.231 4.792 -12.118 1.00 63.15 ATOM 1244 N ARG 84 53.036 4.573 -10.788 1.00 45.33 ATOM 1245 HN ARG 84 53.370 4.513 -9.866 1.00 37.42 ATOM 1246 CA ARG 84 53.997 4.603 -11.905 1.00 13.05 ATOM 1247 HA ARG 84 53.950 5.584 -12.357 1.00 12.45 ATOM 1248 CB ARG 84 55.429 4.348 -11.402 1.00 24.12 ATOM 1249 HB1 ARG 84 56.071 4.174 -12.255 1.00 37.42 ATOM 1250 HB2 ARG 84 55.426 3.461 -10.785 1.00 55.25 ATOM 1251 CG ARG 84 56.026 5.488 -10.583 1.00 45.42 ATOM 1252 HG1 ARG 84 57.009 5.194 -10.239 1.00 37.42 ATOM 1253 HG2 ARG 84 55.390 5.679 -9.731 1.00 71.32 ATOM 1254 CD ARG 84 56.150 6.769 -11.402 1.00 51.10 ATOM 1255 HD1 ARG 84 55.159 7.165 -11.579 1.00 37.42 ATOM 1256 HD2 ARG 84 56.616 6.534 -12.348 1.00 0.32 ATOM 1257 NE ARG 84 56.955 7.780 -10.724 1.00 43.13 ATOM 1258 HE ARG 84 57.679 7.468 -10.144 1.00 42.35 ATOM 1259 CZ ARG 84 56.795 9.067 -10.877 1.00 21.42 ATOM 1260 NH1 ARG 84 55.814 9.533 -11.582 1.00 22.03 ATOM 1261 HH11 ARG 84 55.168 8.909 -12.014 1.00 15.34 ATOM 1262 HH12 ARG 84 55.706 10.520 -11.687 1.00 63.51 ATOM 1263 NH2 ARG 84 57.615 9.886 -10.312 1.00 44.23 ATOM 1264 HH21 ARG 84 58.373 9.536 -9.765 1.00 0.14 ATOM 1265 HH22 ARG 84 57.484 10.869 -10.416 1.00 75.41 ATOM 1266 C ARG 84 53.633 3.551 -12.961 1.00 61.21 ATOM 1267 O ARG 84 53.500 3.853 -14.148 1.00 50.11 ATOM 1268 N ASN 85 53.470 2.314 -12.503 1.00 4.41 ATOM 1269 HN ASN 85 53.641 2.136 -11.555 1.00 37.42 ATOM 1270 CA ASN 85 53.050 1.209 -13.363 1.00 41.33 ATOM 1271 HA ASN 85 53.737 1.152 -14.196 1.00 63.24 ATOM 1272 CB ASN 85 53.106 -0.102 -12.576 1.00 24.25 ATOM 1273 HB1 ASN 85 52.764 -0.911 -13.207 1.00 37.42 ATOM 1274 HB2 ASN 85 52.459 -0.029 -11.712 1.00 62.54 ATOM 1275 CG ASN 85 54.509 -0.419 -12.102 1.00 12.12 ATOM 1276 OD1 ASN 85 54.955 0.069 -11.072 1.00 15.23 ATOM 1277 ND2 ASN 85 55.209 -1.246 -12.841 1.00 62.42 ATOM 1278 HD21 ASN 85 54.794 -1.607 -13.645 1.00 64.10 ATOM 1279 HD22 ASN 85 56.113 -1.477 -12.544 1.00 62.33 ATOM 1280 C ASN 85 51.630 1.432 -13.902 1.00 20.15 ATOM 1281 O ASN 85 51.373 1.234 -15.082 1.00 71.30 ATOM 1282 N LYS 86 50.725 1.861 -13.025 1.00 70.42 ATOM 1283 HN LYS 86 51.014 2.074 -12.114 1.00 37.42 ATOM 1284 CA LYS 86 49.309 2.027 -13.375 1.00 35.41 ATOM 1285 HA LYS 86 48.935 1.061 -13.685 1.00 30.32 ATOM 1286 CB LYS 86 48.521 2.485 -12.142 1.00 73.12 ATOM 1287 HB1 LYS 86 48.849 3.478 -11.870 1.00 37.42 ATOM 1288 HB2 LYS 86 48.735 1.811 -11.323 1.00 42.50 ATOM 1289 CG LYS 86 47.014 2.519 -12.351 1.00 54.20 ATOM 1290 HG1 LYS 86 46.687 1.545 -12.690 1.00 37.42 ATOM 1291 HG2 LYS 86 46.780 3.258 -13.106 1.00 71.24 ATOM 1292 CD LYS 86 46.272 2.871 -11.067 1.00 0.42 ATOM 1293 HD1 LYS 86 46.588 2.193 -10.287 1.00 37.42 ATOM 1294 HD2 LYS 86 45.212 2.755 -11.234 1.00 31.35 ATOM 1295 CE LYS 86 46.543 4.300 -10.614 1.00 23.22 ATOM 1296 HE1 LYS 86 46.137 4.981 -11.346 1.00 37.42 ATOM 1297 HE2 LYS 86 47.611 4.448 -10.537 1.00 25.45 ATOM 1298 NZ LYS 86 45.922 4.584 -9.294 1.00 4.23 ATOM 1299 HZ1 LYS 86 46.415 4.051 -8.548 1.00 41.44 ATOM 1300 HZ2 LYS 86 44.922 4.301 -9.299 1.00 62.31 ATOM 1301 HZ3 LYS 86 45.984 5.601 -9.078 1.00 11.42 ATOM 1302 C LYS 86 49.107 3.023 -14.530 1.00 43.30 ATOM 1303 O LYS 86 48.407 2.729 -15.501 1.00 52.45 ATOM 1304 N PHE 87 49.723 4.197 -14.426 1.00 51.20 ATOM 1305 HN PHE 87 50.277 4.378 -13.638 1.00 37.42 ATOM 1306 CA PHE 87 49.595 5.223 -15.464 1.00 41.42 ATOM 1307 HA PHE 87 48.539 5.355 -15.665 1.00 41.20 ATOM 1308 CB PHE 87 50.177 6.558 -14.981 1.00 73.11 ATOM 1309 HB1 PHE 87 51.252 6.468 -14.901 1.00 37.42 ATOM 1310 HB2 PHE 87 49.769 6.792 -14.007 1.00 14.34 ATOM 1311 CG PHE 87 49.868 7.709 -15.904 1.00 34.24 ATOM 1312 CD1 PHE 87 50.768 8.099 -16.885 1.00 53.44 ATOM 1313 HD1 PHE 87 51.708 7.575 -16.981 1.00 71.42 ATOM 1314 CD2 PHE 87 48.666 8.393 -15.796 1.00 73.42 ATOM 1315 HD2 PHE 87 47.957 8.100 -15.035 1.00 73.43 ATOM 1316 CE1 PHE 87 50.476 9.149 -17.736 1.00 13.03 ATOM 1317 HE1 PHE 87 51.186 9.443 -18.495 1.00 72.11 ATOM 1318 CE2 PHE 87 48.371 9.442 -16.644 1.00 41.12 ATOM 1319 HE2 PHE 87 47.431 9.966 -16.548 1.00 23.42 ATOM 1320 CZ PHE 87 49.276 9.819 -17.616 1.00 51.01 ATOM 1321 HZ PHE 87 49.046 10.641 -18.279 1.00 33.23 ATOM 1322 C PHE 87 50.288 4.778 -16.762 1.00 61.44 ATOM 1323 O PHE 87 49.701 4.847 -17.845 1.00 41.14 ATOM 1324 N ALA 88 51.536 4.315 -16.641 1.00 61.32 ATOM 1325 HN ALA 88 51.965 4.327 -15.757 1.00 37.42 ATOM 1326 CA ALA 88 52.287 3.794 -17.794 1.00 2.42 ATOM 1327 HA ALA 88 52.373 4.590 -18.521 1.00 61.10 ATOM 1328 CB ALA 88 53.694 3.389 -17.367 1.00 53.33 ATOM 1329 HB1 ALA 88 53.636 2.603 -16.626 1.00 31.03 ATOM 1330 HB2 ALA 88 54.204 4.243 -16.944 1.00 53.43 ATOM 1331 HB3 ALA 88 54.244 3.033 -18.227 1.00 41.44 ATOM 1332 C ALA 88 51.559 2.606 -18.446 1.00 21.25 ATOM 1333 O ALA 88 51.708 2.343 -19.643 1.00 3.25 ATOM 1334 N PHE 89 50.772 1.904 -17.636 1.00 41.33 ATOM 1335 HN PHE 89 50.755 2.137 -16.684 1.00 37.42 ATOM 1336 CA PHE 89 49.946 0.789 -18.098 1.00 24.02 ATOM 1337 HA PHE 89 50.557 0.149 -18.720 1.00 13.45 ATOM 1338 CB PHE 89 49.462 -0.010 -16.878 1.00 14.45 ATOM 1339 HB1 PHE 89 48.854 0.636 -16.259 1.00 37.42 ATOM 1340 HB2 PHE 89 50.323 -0.326 -16.308 1.00 15.42 ATOM 1341 CG PHE 89 48.654 -1.240 -17.197 1.00 42.33 ATOM 1342 CD1 PHE 89 47.269 -1.221 -17.108 1.00 34.51 ATOM 1343 HD1 PHE 89 46.768 -0.305 -16.825 1.00 35.51 ATOM 1344 CD2 PHE 89 49.281 -2.422 -17.564 1.00 64.33 ATOM 1345 HD2 PHE 89 50.358 -2.450 -17.639 1.00 75.35 ATOM 1346 CE1 PHE 89 46.531 -2.355 -17.378 1.00 42.12 ATOM 1347 HE1 PHE 89 45.453 -2.327 -17.306 1.00 40.12 ATOM 1348 CE2 PHE 89 48.544 -3.556 -17.838 1.00 53.24 ATOM 1349 HE2 PHE 89 49.045 -4.471 -18.123 1.00 64.12 ATOM 1350 CZ PHE 89 47.170 -3.523 -17.743 1.00 43.54 ATOM 1351 HZ PHE 89 46.593 -4.412 -17.953 1.00 43.44 ATOM 1352 C PHE 89 48.748 1.293 -18.918 1.00 32.12 ATOM 1353 O PHE 89 48.548 0.880 -20.058 1.00 11.25 ATOM 1354 N ARG 90 47.959 2.204 -18.339 1.00 3.13 ATOM 1355 HN ARG 90 48.194 2.542 -17.447 1.00 37.42 ATOM 1356 CA ARG 90 46.754 2.713 -19.007 1.00 3.22 ATOM 1357 HA ARG 90 46.172 1.847 -19.291 1.00 34.13 ATOM 1358 CB ARG 90 45.901 3.568 -18.054 1.00 31.41 ATOM 1359 HB1 ARG 90 45.417 4.353 -18.618 1.00 37.42 ATOM 1360 HB2 ARG 90 46.548 4.018 -17.315 1.00 53.13 ATOM 1361 CG ARG 90 44.822 2.774 -17.325 1.00 60.04 ATOM 1362 HG1 ARG 90 44.277 3.439 -16.670 1.00 37.42 ATOM 1363 HG2 ARG 90 45.294 1.999 -16.741 1.00 14.22 ATOM 1364 CD ARG 90 43.839 2.126 -18.304 1.00 10.32 ATOM 1365 HD1 ARG 90 43.116 1.553 -17.741 1.00 37.42 ATOM 1366 HD2 ARG 90 44.388 1.464 -18.958 1.00 55.23 ATOM 1367 NE ARG 90 43.132 3.118 -19.116 1.00 12.13 ATOM 1368 HE ARG 90 43.043 4.018 -18.745 1.00 65.24 ATOM 1369 CZ ARG 90 42.599 2.880 -20.293 1.00 73.12 ATOM 1370 NH1 ARG 90 42.693 1.712 -20.849 1.00 45.31 ATOM 1371 HH11 ARG 90 43.173 0.978 -20.385 1.00 13.44 ATOM 1372 HH12 ARG 90 42.278 1.555 -21.751 1.00 72.50 ATOM 1373 NH2 ARG 90 41.971 3.819 -20.918 1.00 71.44 ATOM 1374 HH21 ARG 90 41.891 4.726 -20.508 1.00 1.01 ATOM 1375 HH22 ARG 90 41.559 3.633 -21.809 1.00 1.24 ATOM 1376 C ARG 90 47.065 3.494 -20.289 1.00 22.22 ATOM 1377 O ARG 90 46.323 3.389 -21.258 1.00 64.41 ATOM 1378 N GLU 91 48.141 4.279 -20.305 1.00 25.11 ATOM 1379 HN GLU 91 48.682 4.381 -19.492 1.00 37.42 ATOM 1380 CA GLU 91 48.522 4.998 -21.530 1.00 65.04 ATOM 1381 HA GLU 91 47.676 5.608 -21.822 1.00 72.22 ATOM 1382 CB GLU 91 49.732 5.918 -21.289 1.00 74.44 ATOM 1383 HB1 GLU 91 49.479 6.620 -20.505 1.00 37.42 ATOM 1384 HB2 GLU 91 49.934 6.471 -22.195 1.00 13.22 ATOM 1385 CG GLU 91 51.008 5.191 -20.879 1.00 60.55 ATOM 1386 HG1 GLU 91 51.241 4.447 -21.629 1.00 37.42 ATOM 1387 HG2 GLU 91 50.838 4.699 -19.933 1.00 52.42 ATOM 1388 CD GLU 91 52.200 6.127 -20.731 1.00 10.44 ATOM 1389 OE1 GLU 91 52.251 6.889 -19.743 1.00 44.01 ATOM 1390 OE2 GLU 91 53.100 6.099 -21.601 1.00 63.41 ATOM 1391 C GLU 91 48.816 4.005 -22.668 1.00 22.24 ATOM 1392 O GLU 91 48.458 4.238 -23.823 1.00 24.24 ATOM 1393 N ALA 92 49.441 2.879 -22.321 1.00 41.54 ATOM 1394 HN ALA 92 49.722 2.760 -21.388 1.00 37.42 ATOM 1395 CA ALA 92 49.729 1.818 -23.289 1.00 23.52 ATOM 1396 HA ALA 92 50.166 2.279 -24.164 1.00 5.01 ATOM 1397 CB ALA 92 50.750 0.844 -22.711 1.00 12.12 ATOM 1398 HB1 ALA 92 50.337 0.361 -21.837 1.00 72.33 ATOM 1399 HB2 ALA 92 51.643 1.383 -22.433 1.00 13.45 ATOM 1400 HB3 ALA 92 50.998 0.097 -23.452 1.00 63.14 ATOM 1401 C ALA 92 48.446 1.079 -23.711 1.00 22.20 ATOM 1402 O ALA 92 48.266 0.743 -24.883 1.00 24.12 ATOM 1403 N VAL 93 47.553 0.834 -22.751 1.00 41.14 ATOM 1404 HN VAL 93 47.767 1.089 -21.829 1.00 37.42 ATOM 1405 CA VAL 93 46.267 0.185 -23.040 1.00 42.11 ATOM 1406 HA VAL 93 46.478 -0.726 -23.587 1.00 35.22 ATOM 1407 CB VAL 93 45.507 -0.198 -21.744 1.00 21.24 ATOM 1408 HB VAL 93 45.331 0.704 -21.172 1.00 42.41 ATOM 1409 CG1 VAL 93 44.150 -0.828 -22.066 1.00 54.41 ATOM 1410 HG11 VAL 93 43.646 -1.091 -21.146 1.00 42.13 ATOM 1411 HG12 VAL 93 44.295 -1.716 -22.662 1.00 12.20 ATOM 1412 HG13 VAL 93 43.545 -0.121 -22.617 1.00 23.12 ATOM 1413 CG2 VAL 93 46.349 -1.144 -20.892 1.00 2.31 ATOM 1414 HG21 VAL 93 46.546 -2.052 -21.446 1.00 31.45 ATOM 1415 HG22 VAL 93 45.815 -1.386 -19.985 1.00 1.35 ATOM 1416 HG23 VAL 93 47.285 -0.667 -20.639 1.00 13.21 ATOM 1417 C VAL 93 45.371 1.080 -23.913 1.00 32.11 ATOM 1418 O VAL 93 44.707 0.596 -24.827 1.00 13.34 ATOM 1419 N SER 94 45.359 2.383 -23.626 1.00 0.32 ATOM 1420 HN SER 94 45.849 2.701 -22.843 1.00 37.42 ATOM 1421 CA SER 94 44.620 3.353 -24.450 1.00 3.44 ATOM 1422 HA SER 94 43.570 3.098 -24.395 1.00 44.21 ATOM 1423 CB SER 94 44.818 4.787 -23.928 1.00 51.01 ATOM 1424 HB1 SER 94 44.283 5.478 -24.565 1.00 37.42 ATOM 1425 HB2 SER 94 45.870 5.031 -23.940 1.00 12.43 ATOM 1426 OG SER 94 44.337 4.931 -22.598 1.00 72.43 ATOM 1427 HG SER 94 43.388 5.106 -22.619 1.00 64.43 ATOM 1428 C SER 94 45.074 3.263 -25.909 1.00 43.12 ATOM 1429 O SER 94 44.255 3.213 -26.826 1.00 44.21 ATOM 1430 N LYS 95 46.388 3.227 -26.107 1.00 51.41 ATOM 1431 HN LYS 95 46.985 3.354 -25.339 1.00 37.42 ATOM 1432 CA LYS 95 46.973 3.010 -27.433 1.00 64.31 ATOM 1433 HA LYS 95 46.695 3.844 -28.064 1.00 51.03 ATOM 1434 CB LYS 95 48.504 2.955 -27.315 1.00 15.20 ATOM 1435 HB1 LYS 95 48.918 2.654 -28.268 1.00 37.42 ATOM 1436 HB2 LYS 95 48.766 2.215 -26.571 1.00 20.21 ATOM 1437 CG LYS 95 49.146 4.284 -26.911 1.00 42.41 ATOM 1438 HG1 LYS 95 48.525 4.760 -26.163 1.00 37.42 ATOM 1439 HG2 LYS 95 49.209 4.922 -27.782 1.00 34.12 ATOM 1440 CD LYS 95 50.551 4.090 -26.337 1.00 31.43 ATOM 1441 HD1 LYS 95 50.476 3.521 -25.420 1.00 37.42 ATOM 1442 HD2 LYS 95 50.972 5.061 -26.117 1.00 53.31 ATOM 1443 CE LYS 95 51.485 3.359 -27.298 1.00 21.10 ATOM 1444 HE1 LYS 95 51.020 2.431 -27.601 1.00 37.42 ATOM 1445 HE2 LYS 95 52.411 3.143 -26.784 1.00 50.20 ATOM 1446 NZ LYS 95 51.789 4.166 -28.508 1.00 50.51 ATOM 1447 HZ1 LYS 95 50.913 4.391 -29.023 1.00 63.33 ATOM 1448 HZ2 LYS 95 52.422 3.637 -29.140 1.00 33.44 ATOM 1449 HZ3 LYS 95 52.254 5.057 -28.235 1.00 74.41 ATOM 1450 C LYS 95 46.447 1.709 -28.066 1.00 42.33 ATOM 1451 O LYS 95 46.022 1.696 -29.221 1.00 35.04 ATOM 1452 N LEU 96 46.456 0.625 -27.290 1.00 45.44 ATOM 1453 HN LEU 96 46.781 0.705 -26.368 1.00 37.42 ATOM 1454 CA LEU 96 46.002 -0.684 -27.776 1.00 14.42 ATOM 1455 HA LEU 96 46.610 -0.947 -28.630 1.00 63.01 ATOM 1456 CB LEU 96 46.199 -1.745 -26.683 1.00 13.35 ATOM 1457 HB1 LEU 96 45.639 -1.435 -25.812 1.00 37.42 ATOM 1458 HB2 LEU 96 47.249 -1.770 -26.422 1.00 61.22 ATOM 1459 CG LEU 96 45.756 -3.174 -27.055 1.00 75.13 ATOM 1460 HG LEU 96 44.731 -3.142 -27.399 1.00 52.22 ATOM 1461 CD1 LEU 96 46.605 -3.729 -28.197 1.00 31.02 ATOM 1462 HD11 LEU 96 47.637 -3.790 -27.884 1.00 45.24 ATOM 1463 HD12 LEU 96 46.527 -3.076 -29.054 1.00 32.11 ATOM 1464 HD13 LEU 96 46.251 -4.715 -28.464 1.00 51.33 ATOM 1465 CD2 LEU 96 45.810 -4.096 -25.836 1.00 41.13 ATOM 1466 HD21 LEU 96 45.493 -5.089 -26.121 1.00 45.32 ATOM 1467 HD22 LEU 96 45.153 -3.718 -25.066 1.00 55.12 ATOM 1468 HD23 LEU 96 46.822 -4.138 -25.456 1.00 0.25 ATOM 1469 C LEU 96 44.524 -0.658 -28.209 1.00 11.13 ATOM 1470 O LEU 96 44.194 -1.045 -29.330 1.00 73.32 ATOM 1471 N GLU 97 43.640 -0.183 -27.327 1.00 61.44 ATOM 1472 HN GLU 97 43.963 0.168 -26.471 1.00 37.42 ATOM 1473 CA GLU 97 42.195 -0.178 -27.607 1.00 12.01 ATOM 1474 HA GLU 97 41.925 -1.184 -27.902 1.00 52.42 ATOM 1475 CB GLU 97 41.393 0.185 -26.345 1.00 53.45 ATOM 1476 HB1 GLU 97 41.566 -0.575 -25.598 1.00 37.42 ATOM 1477 HB2 GLU 97 40.341 0.194 -26.592 1.00 61.25 ATOM 1478 CG GLU 97 41.750 1.538 -25.739 1.00 3.31 ATOM 1479 HG1 GLU 97 41.609 2.304 -26.491 1.00 37.42 ATOM 1480 HG2 GLU 97 42.788 1.520 -25.440 1.00 13.41 ATOM 1481 CD GLU 97 40.899 1.884 -24.526 1.00 31.12 ATOM 1482 OE1 GLU 97 39.770 2.388 -24.716 1.00 22.11 ATOM 1483 OE2 GLU 97 41.352 1.662 -23.376 1.00 40.02 ATOM 1484 C GLU 97 41.837 0.769 -28.765 1.00 30.25 ATOM 1485 O GLU 97 40.980 0.450 -29.596 1.00 51.53 ATOM 1486 N LEU 98 42.499 1.924 -28.825 1.00 34.22 ATOM 1487 HN LEU 98 43.144 2.143 -28.117 1.00 37.42 ATOM 1488 CA LEU 98 42.292 2.877 -29.922 1.00 32.01 ATOM 1489 HA LEU 98 41.227 3.033 -30.020 1.00 43.12 ATOM 1490 CB LEU 98 42.960 4.224 -29.602 1.00 33.41 ATOM 1491 HB1 LEU 98 42.901 4.852 -30.480 1.00 37.42 ATOM 1492 HB2 LEU 98 44.004 4.040 -29.384 1.00 54.51 ATOM 1493 CG LEU 98 42.346 4.994 -28.417 1.00 52.43 ATOM 1494 HG LEU 98 42.425 4.386 -27.526 1.00 64.30 ATOM 1495 CD1 LEU 98 43.107 6.292 -28.160 1.00 34.44 ATOM 1496 HD11 LEU 98 44.138 6.065 -27.932 1.00 20.04 ATOM 1497 HD12 LEU 98 42.662 6.812 -27.323 1.00 14.12 ATOM 1498 HD13 LEU 98 43.062 6.920 -29.038 1.00 72.32 ATOM 1499 CD2 LEU 98 40.864 5.278 -28.659 1.00 21.24 ATOM 1500 HD21 LEU 98 40.748 5.862 -29.561 1.00 71.02 ATOM 1501 HD22 LEU 98 40.460 5.828 -27.821 1.00 32.23 ATOM 1502 HD23 LEU 98 40.329 4.345 -28.763 1.00 32.04 ATOM 1503 C LEU 98 42.823 2.315 -31.251 1.00 42.24 ATOM 1504 O LEU 98 42.206 2.496 -32.304 1.00 31.21 ATOM 1505 N SER 99 43.960 1.623 -31.199 1.00 5.55 ATOM 1506 HN SER 99 44.443 1.554 -30.346 1.00 37.42 ATOM 1507 CA SER 99 44.522 0.985 -32.395 1.00 23.55 ATOM 1508 HA SER 99 44.495 1.719 -33.188 1.00 24.10 ATOM 1509 CB SER 99 45.983 0.573 -32.169 1.00 0.40 ATOM 1510 HB1 SER 99 46.340 0.025 -33.030 1.00 37.42 ATOM 1511 HB2 SER 99 46.049 -0.054 -31.292 1.00 24.45 ATOM 1512 OG SER 99 46.813 1.712 -31.977 1.00 21.22 ATOM 1513 HG SER 99 47.403 1.812 -32.735 1.00 60.10 ATOM 1514 C SER 99 43.685 -0.226 -32.834 1.00 32.32 ATOM 1515 O SER 99 43.619 -0.547 -34.020 1.00 14.23 ATOM 1516 N LEU 100 43.038 -0.895 -31.881 1.00 64.33 ATOM 1517 HN LEU 100 43.190 -0.653 -30.941 1.00 37.42 ATOM 1518 CA LEU 100 42.120 -1.996 -32.203 1.00 14.04 ATOM 1519 HA LEU 100 42.657 -2.695 -32.830 1.00 4.31 ATOM 1520 CB LEU 100 41.667 -2.725 -30.927 1.00 54.31 ATOM 1521 HB1 LEU 100 40.829 -3.361 -31.179 1.00 37.42 ATOM 1522 HB2 LEU 100 41.329 -1.983 -30.215 1.00 44.33 ATOM 1523 CG LEU 100 42.739 -3.595 -30.246 1.00 11.34 ATOM 1524 HG LEU 100 43.593 -2.978 -30.007 1.00 23.43 ATOM 1525 CD1 LEU 100 42.210 -4.183 -28.942 1.00 42.32 ATOM 1526 HD11 LEU 100 41.928 -3.383 -28.273 1.00 14.22 ATOM 1527 HD12 LEU 100 42.980 -4.782 -28.478 1.00 10.42 ATOM 1528 HD13 LEU 100 41.348 -4.803 -29.147 1.00 32.24 ATOM 1529 CD2 LEU 100 43.212 -4.709 -31.182 1.00 71.43 ATOM 1530 HD21 LEU 100 42.377 -5.343 -31.444 1.00 53.43 ATOM 1531 HD22 LEU 100 43.968 -5.299 -30.684 1.00 2.25 ATOM 1532 HD23 LEU 100 43.631 -4.276 -32.079 1.00 41.53 ATOM 1533 C LEU 100 40.892 -1.493 -32.978 1.00 63.11 ATOM 1534 O LEU 100 40.473 -2.108 -33.962 1.00 34.01 ATOM 1535 N GLN 101 40.319 -0.371 -32.540 1.00 31.24 ATOM 1536 HN GLN 101 40.700 0.093 -31.763 1.00 37.42 ATOM 1537 CA GLN 101 39.124 0.175 -33.193 1.00 72.44 ATOM 1538 HA GLN 101 38.449 -0.656 -33.355 1.00 43.21 ATOM 1539 CB GLN 101 38.415 1.200 -32.293 1.00 54.02 ATOM 1540 HB1 GLN 101 38.179 0.726 -31.350 1.00 37.42 ATOM 1541 HB2 GLN 101 37.491 1.500 -32.769 1.00 0.44 ATOM 1542 CG GLN 101 39.224 2.456 -32.003 1.00 20.51 ATOM 1543 HG1 GLN 101 39.476 2.932 -32.941 1.00 37.42 ATOM 1544 HG2 GLN 101 40.133 2.172 -31.492 1.00 24.41 ATOM 1545 CD GLN 101 38.472 3.452 -31.138 1.00 4.01 ATOM 1546 OE1 GLN 101 38.564 3.432 -29.912 1.00 44.33 ATOM 1547 NE2 GLN 101 37.706 4.320 -31.766 1.00 11.24 ATOM 1548 HE21 GLN 101 37.660 4.275 -32.746 1.00 63.34 ATOM 1549 HE22 GLN 101 37.220 4.978 -31.229 1.00 64.35 ATOM 1550 C GLN 101 39.454 0.787 -34.568 1.00 34.23 ATOM 1551 O GLN 101 38.655 0.688 -35.499 1.00 74.35 ATOM 1552 N GLU 102 40.630 1.409 -34.711 1.00 65.23 ATOM 1553 HN GLU 102 41.209 1.544 -33.928 1.00 37.42 ATOM 1554 CA GLU 102 41.056 1.908 -36.027 1.00 50.43 ATOM 1555 HA GLU 102 40.227 2.464 -36.447 1.00 63.14 ATOM 1556 CB GLU 102 42.277 2.845 -35.916 1.00 54.42 ATOM 1557 HB1 GLU 102 42.095 3.555 -35.121 1.00 37.42 ATOM 1558 HB2 GLU 102 42.386 3.387 -36.847 1.00 52.50 ATOM 1559 CG GLU 102 43.593 2.130 -35.626 1.00 71.25 ATOM 1560 HG1 GLU 102 43.752 1.377 -36.386 1.00 37.42 ATOM 1561 HG2 GLU 102 43.517 1.647 -34.664 1.00 2.11 ATOM 1562 CD GLU 102 44.798 3.064 -35.610 1.00 43.33 ATOM 1563 OE1 GLU 102 45.166 3.562 -34.525 1.00 22.01 ATOM 1564 OE2 GLU 102 45.393 3.297 -36.683 1.00 25.33 ATOM 1565 C GLU 102 41.369 0.731 -36.966 1.00 21.14 ATOM 1566 O GLU 102 41.167 0.818 -38.175 1.00 51.12 ATOM 1567 N LEU 103 41.850 -0.373 -36.392 1.00 44.11 ATOM 1568 HN LEU 103 42.027 -0.367 -35.427 1.00 37.42 ATOM 1569 CA LEU 103 42.139 -1.588 -37.159 1.00 23.45 ATOM 1570 HA LEU 103 42.791 -1.317 -37.977 1.00 42.22 ATOM 1571 CB LEU 103 42.856 -2.621 -36.279 1.00 32.10 ATOM 1572 HB1 LEU 103 42.234 -2.821 -35.417 1.00 37.42 ATOM 1573 HB2 LEU 103 43.784 -2.186 -35.935 1.00 62.25 ATOM 1574 CG LEU 103 43.172 -3.960 -36.966 1.00 71.02 ATOM 1575 HG LEU 103 42.260 -4.352 -37.394 1.00 33.43 ATOM 1576 CD1 LEU 103 44.170 -3.769 -38.108 1.00 13.11 ATOM 1577 HD11 LEU 103 44.410 -4.729 -38.541 1.00 14.43 ATOM 1578 HD12 LEU 103 45.072 -3.309 -37.730 1.00 62.10 ATOM 1579 HD13 LEU 103 43.735 -3.133 -38.866 1.00 20.04 ATOM 1580 CD2 LEU 103 43.687 -4.980 -35.954 1.00 50.30 ATOM 1581 HD21 LEU 103 43.868 -5.921 -36.452 1.00 51.25 ATOM 1582 HD22 LEU 103 42.949 -5.121 -35.176 1.00 11.21 ATOM 1583 HD23 LEU 103 44.607 -4.621 -35.517 1.00 55.32 ATOM 1584 C LEU 103 40.862 -2.212 -37.734 1.00 22.21 ATOM 1585 O LEU 103 40.751 -2.400 -38.942 1.00 21.34 ATOM 1586 N GLN 104 39.899 -2.525 -36.864 1.00 71.42 ATOM 1587 HN GLN 104 40.024 -2.301 -35.916 1.00 37.42 ATOM 1588 CA GLN 104 38.661 -3.204 -37.281 1.00 34.14 ATOM 1589 HA GLN 104 38.943 -4.176 -37.660 1.00 32.31 ATOM 1590 CB GLN 104 37.723 -3.403 -36.080 1.00 11.11 ATOM 1591 HB1 GLN 104 38.226 -4.019 -35.347 1.00 37.42 ATOM 1592 HB2 GLN 104 36.832 -3.918 -36.414 1.00 34.41 ATOM 1593 CG GLN 104 37.299 -2.103 -35.400 1.00 12.23 ATOM 1594 HG1 GLN 104 36.768 -1.495 -36.120 1.00 37.42 ATOM 1595 HG2 GLN 104 38.186 -1.577 -35.079 1.00 4.41 ATOM 1596 CD GLN 104 36.404 -2.308 -34.186 1.00 64.03 ATOM 1597 OE1 GLN 104 35.575 -1.464 -33.862 1.00 61.41 ATOM 1598 NE2 GLN 104 36.563 -3.422 -33.501 1.00 14.54 ATOM 1599 HE21 GLN 104 37.239 -4.061 -33.800 1.00 31.20 ATOM 1600 HE22 GLN 104 35.995 -3.562 -32.717 1.00 15.12 ATOM 1601 C GLN 104 37.928 -2.447 -38.405 1.00 41.33 ATOM 1602 O GLN 104 37.269 -3.059 -39.242 1.00 14.22 ATOM 1603 N VAL 105 38.044 -1.119 -38.423 1.00 31.43 ATOM 1604 HN VAL 105 38.555 -0.672 -37.714 1.00 37.42 ATOM 1605 CA VAL 105 37.409 -0.307 -39.472 1.00 14.01 ATOM 1606 HA VAL 105 36.515 -0.827 -39.795 1.00 13.32 ATOM 1607 CB VAL 105 36.985 1.084 -38.935 1.00 62.23 ATOM 1608 HB VAL 105 36.443 1.596 -39.719 1.00 72.32 ATOM 1609 CG1 VAL 105 36.049 0.941 -37.736 1.00 63.34 ATOM 1610 HG11 VAL 105 35.166 0.392 -38.031 1.00 14.24 ATOM 1611 HG12 VAL 105 35.760 1.920 -37.382 1.00 53.34 ATOM 1612 HG13 VAL 105 36.555 0.407 -36.945 1.00 33.14 ATOM 1613 CG2 VAL 105 38.206 1.929 -38.575 1.00 44.35 ATOM 1614 HG21 VAL 105 37.885 2.898 -38.220 1.00 31.13 ATOM 1615 HG22 VAL 105 38.827 2.056 -39.449 1.00 52.22 ATOM 1616 HG23 VAL 105 38.772 1.432 -37.800 1.00 53.54 ATOM 1617 C VAL 105 38.329 -0.116 -40.695 1.00 63.44 ATOM 1618 O VAL 105 37.893 0.373 -41.736 1.00 51.14 ATOM 1619 N SER 106 39.597 -0.512 -40.564 1.00 62.45 ATOM 1620 HN SER 106 39.870 -0.951 -39.733 1.00 37.42 ATOM 1621 CA SER 106 40.600 -0.305 -41.626 1.00 2.30 ATOM 1622 HA SER 106 40.102 0.127 -42.483 1.00 70.44 ATOM 1623 CB SER 106 41.684 0.669 -41.140 1.00 51.03 ATOM 1624 HB1 SER 106 42.389 0.849 -41.939 1.00 37.42 ATOM 1625 HB2 SER 106 42.203 0.237 -40.296 1.00 62.51 ATOM 1626 OG SER 106 41.124 1.911 -40.737 1.00 73.22 ATOM 1627 HG SER 106 41.087 1.945 -39.771 1.00 43.10 ATOM 1628 C SER 106 41.266 -1.623 -42.056 1.00 50.50 ATOM 1629 O SER 106 42.313 -1.610 -42.707 1.00 72.35 ATOM 1630 N SER 107 40.654 -2.751 -41.703 1.00 75.34 ATOM 1631 HN SER 107 39.800 -2.695 -41.227 1.00 37.42 ATOM 1632 CA SER 107 41.218 -4.078 -42.004 1.00 52.41 ATOM 1633 HA SER 107 42.234 -4.094 -41.634 1.00 2.53 ATOM 1634 CB SER 107 40.421 -5.180 -41.289 1.00 65.20 ATOM 1635 HB1 SER 107 40.870 -6.141 -41.503 1.00 37.42 ATOM 1636 HB2 SER 107 39.403 -5.177 -41.643 1.00 44.41 ATOM 1637 OG SER 107 40.410 -4.983 -39.886 1.00 73.51 ATOM 1638 HG SER 107 39.636 -5.420 -39.507 1.00 10.14 ATOM 1639 C SER 107 41.245 -4.359 -43.514 1.00 54.41 ATOM 1640 O SER 107 42.306 -4.296 -44.138 1.00 2.22 ATOM 1641 N ALA 108 40.072 -4.672 -44.084 1.00 52.20 ATOM 1642 HN ALA 108 39.272 -4.701 -43.515 1.00 37.42 ATOM 1643 CA ALA 108 39.914 -4.956 -45.527 1.00 10.34 ATOM 1644 HA ALA 108 38.851 -5.012 -45.718 1.00 10.41 ATOM 1645 CB ALA 108 40.465 -3.807 -46.374 1.00 71.44 ATOM 1646 HB1 ALA 108 40.289 -4.012 -47.421 1.00 12.23 ATOM 1647 HB2 ALA 108 41.527 -3.706 -46.201 1.00 4.42 ATOM 1648 HB3 ALA 108 39.968 -2.887 -46.101 1.00 41.32 ATOM 1649 C ALA 108 40.546 -6.299 -45.960 1.00 34.24 ATOM 1650 O ALA 108 39.881 -7.132 -46.577 1.00 71.24 ATOM 1651 N ALA 109 41.820 -6.510 -45.624 1.00 33.43 ATOM 1652 HN ALA 109 42.270 -5.849 -45.063 1.00 37.42 ATOM 1653 CA ALA 109 42.584 -7.687 -46.081 1.00 72.31 ATOM 1654 HA ALA 109 42.444 -7.772 -47.150 1.00 34.31 ATOM 1655 CB ALA 109 44.070 -7.463 -45.829 1.00 65.33 ATOM 1656 HB1 ALA 109 44.253 -7.420 -44.764 1.00 14.25 ATOM 1657 HB2 ALA 109 44.378 -6.532 -46.284 1.00 33.13 ATOM 1658 HB3 ALA 109 44.636 -8.277 -46.258 1.00 10.01 ATOM 1659 C ALA 109 42.147 -9.013 -45.427 1.00 40.35 ATOM 1660 O ALA 109 42.810 -10.036 -45.613 1.00 64.34 ATOM 1661 N ALA 110 41.055 -8.991 -44.660 1.00 24.41 ATOM 1662 HN ALA 110 40.598 -8.135 -44.518 1.00 37.42 ATOM 1663 CA ALA 110 40.503 -10.200 -44.022 1.00 64.31 ATOM 1664 HA ALA 110 39.541 -9.927 -43.608 1.00 20.14 ATOM 1665 CB ALA 110 40.260 -11.299 -45.057 1.00 15.52 ATOM 1666 HB1 ALA 110 39.605 -10.926 -45.831 1.00 31.20 ATOM 1667 HB2 ALA 110 39.800 -12.153 -44.578 1.00 43.43 ATOM 1668 HB3 ALA 110 41.201 -11.598 -45.495 1.00 23.15 ATOM 1669 C ALA 110 41.383 -10.720 -42.870 1.00 31.41 ATOM 1670 O ALA 110 40.957 -10.733 -41.712 1.00 63.41 ATOM 1671 N GLY 111 42.603 -11.153 -43.184 1.00 0.41 ATOM 1672 HN GLY 111 42.903 -11.109 -44.117 1.00 37.42 ATOM 1673 CA GLY 111 43.491 -11.692 -42.159 1.00 71.02 ATOM 1674 HA1 GLY 111 43.039 -12.582 -41.744 1.00 37.42 ATOM 1675 HA2 GLY 111 43.598 -10.959 -41.370 1.00 53.54 ATOM 1676 C GLY 111 44.880 -12.047 -42.686 1.00 42.45 ATOM 1677 O GLY 111 45.250 -13.222 -42.749 1.00 73.50 ATOM 1678 N VAL 112 45.645 -11.027 -43.069 1.00 22.32 ATOM 1679 HN VAL 112 45.282 -10.119 -43.017 1.00 37.42 ATOM 1680 CA VAL 112 47.014 -11.213 -43.565 1.00 11.44 ATOM 1681 HA VAL 112 47.210 -12.276 -43.630 1.00 44.33 ATOM 1682 CB VAL 112 47.180 -10.594 -44.981 1.00 14.14 ATOM 1683 HB VAL 112 47.003 -9.529 -44.905 1.00 62.45 ATOM 1684 CG1 VAL 112 48.597 -10.796 -45.511 1.00 24.21 ATOM 1685 HG11 VAL 112 49.304 -10.352 -44.826 1.00 10.22 ATOM 1686 HG12 VAL 112 48.691 -10.325 -46.479 1.00 24.21 ATOM 1687 HG13 VAL 112 48.801 -11.853 -45.605 1.00 4.43 ATOM 1688 CG2 VAL 112 46.150 -11.174 -45.952 1.00 41.14 ATOM 1689 HG21 VAL 112 45.154 -10.969 -45.587 1.00 12.32 ATOM 1690 HG22 VAL 112 46.289 -12.243 -46.031 1.00 51.24 ATOM 1691 HG23 VAL 112 46.275 -10.723 -46.927 1.00 62.32 ATOM 1692 C VAL 112 48.031 -10.571 -42.598 1.00 32.54 ATOM 1693 O VAL 112 47.881 -9.408 -42.218 1.00 4.23 ATOM 1694 N PRO 113 49.081 -11.313 -42.182 1.00 74.52 ATOM 1695 CA PRO 113 50.080 -10.800 -41.224 1.00 52.12 ATOM 1696 HA PRO 113 49.611 -10.528 -40.287 1.00 62.45 ATOM 1697 CB PRO 113 51.015 -12.002 -40.999 1.00 34.31 ATOM 1698 HB1 PRO 113 50.725 -12.521 -40.095 1.00 37.42 ATOM 1699 HB2 PRO 113 52.038 -11.661 -40.908 1.00 63.41 ATOM 1700 CG PRO 113 50.827 -12.865 -42.202 1.00 41.32 ATOM 1701 HG1 PRO 113 51.027 -13.897 -41.952 1.00 37.42 ATOM 1702 HG2 PRO 113 51.484 -12.537 -42.997 1.00 55.30 ATOM 1703 CD PRO 113 49.387 -12.693 -42.605 1.00 31.22 ATOM 1704 HD1 PRO 113 48.759 -13.402 -42.083 1.00 37.42 ATOM 1705 HD2 PRO 113 49.276 -12.805 -43.674 1.00 33.10 ATOM 1706 C PRO 113 50.863 -9.586 -41.764 1.00 54.03 ATOM 1707 O PRO 113 51.470 -9.646 -42.835 1.00 43.45 ATOM 1708 N GLY 114 50.834 -8.483 -41.014 1.00 71.12 ATOM 1709 HN GLY 114 50.339 -8.499 -40.167 1.00 37.42 ATOM 1710 CA GLY 114 51.547 -7.270 -41.412 1.00 12.52 ATOM 1711 HA1 GLY 114 52.560 -7.537 -41.683 1.00 37.42 ATOM 1712 HA2 GLY 114 51.584 -6.601 -40.565 1.00 72.45 ATOM 1713 C GLY 114 50.906 -6.526 -42.586 1.00 34.45 ATOM 1714 O GLY 114 51.529 -5.638 -43.172 1.00 64.11 ATOM 1715 N THR 115 49.658 -6.869 -42.926 1.00 73.33 ATOM 1716 HN THR 115 49.202 -7.575 -42.417 1.00 37.42 ATOM 1717 CA THR 115 48.961 -6.232 -44.063 1.00 42.32 ATOM 1718 HA THR 115 49.577 -6.374 -44.941 1.00 13.20 ATOM 1719 CB THR 115 47.585 -6.887 -44.341 1.00 73.15 ATOM 1720 HB THR 115 47.743 -7.934 -44.564 1.00 20.41 ATOM 1721 OG1 THR 115 46.960 -6.261 -45.471 1.00 12.12 ATOM 1722 HG1 THR 115 47.487 -6.421 -46.264 1.00 41.10 ATOM 1723 CG2 THR 115 46.660 -6.782 -43.130 1.00 51.25 ATOM 1724 HG21 THR 115 45.722 -7.272 -43.348 1.00 63.40 ATOM 1725 HG22 THR 115 46.477 -5.741 -42.905 1.00 41.44 ATOM 1726 HG23 THR 115 47.124 -7.257 -42.277 1.00 52.42 ATOM 1727 C THR 115 48.753 -4.722 -43.857 1.00 40.30 ATOM 1728 O THR 115 48.848 -3.934 -44.801 1.00 21.21 ATOM 1729 N ASN 116 48.464 -4.324 -42.620 1.00 4.12 ATOM 1730 HN ASN 116 48.393 -4.995 -41.913 1.00 37.42 ATOM 1731 CA ASN 116 48.258 -2.912 -42.282 1.00 51.20 ATOM 1732 HA ASN 116 48.484 -2.319 -43.158 1.00 31.24 ATOM 1733 CB ASN 116 46.795 -2.673 -41.878 1.00 72.21 ATOM 1734 HB1 ASN 116 46.676 -1.647 -41.560 1.00 37.42 ATOM 1735 HB2 ASN 116 46.543 -3.330 -41.057 1.00 60.02 ATOM 1736 CG ASN 116 45.827 -2.936 -43.020 1.00 22.15 ATOM 1737 OD1 ASN 116 46.164 -2.767 -44.186 1.00 13.21 ATOM 1738 ND2 ASN 116 44.615 -3.342 -42.698 1.00 1.13 ATOM 1739 HD21 ASN 116 44.396 -3.453 -41.754 1.00 11.41 ATOM 1740 HD22 ASN 116 43.978 -3.511 -43.427 1.00 23.24 ATOM 1741 C ASN 116 49.196 -2.488 -41.143 1.00 42.51 ATOM 1742 O ASN 116 49.362 -3.228 -40.174 1.00 31.40 ATOM 1743 N PRO 117 49.806 -1.286 -41.234 1.00 25.23 ATOM 1744 CA PRO 117 50.780 -0.793 -40.233 1.00 34.44 ATOM 1745 HA PRO 117 51.704 -1.353 -40.288 1.00 41.15 ATOM 1746 CB PRO 117 51.042 0.666 -40.663 1.00 13.05 ATOM 1747 HB1 PRO 117 52.015 0.736 -41.128 1.00 37.42 ATOM 1748 HB2 PRO 117 51.009 1.316 -39.799 1.00 63.54 ATOM 1749 CG PRO 117 49.955 0.996 -41.636 1.00 74.40 ATOM 1750 HG1 PRO 117 50.312 1.713 -42.362 1.00 37.42 ATOM 1751 HG2 PRO 117 49.097 1.393 -41.110 1.00 24.52 ATOM 1752 CD PRO 117 49.603 -0.301 -42.310 1.00 44.24 ATOM 1753 HD1 PRO 117 50.269 -0.493 -43.139 1.00 37.42 ATOM 1754 HD2 PRO 117 48.574 -0.291 -42.642 1.00 10.23 ATOM 1755 C PRO 117 50.251 -0.852 -38.788 1.00 74.11 ATOM 1756 O PRO 117 51.024 -0.956 -37.832 1.00 23.14 ATOM 1757 N VAL 118 48.925 -0.794 -38.641 1.00 34.11 ATOM 1758 HN VAL 118 48.368 -0.676 -39.435 1.00 37.42 ATOM 1759 CA VAL 118 48.279 -0.879 -37.327 1.00 50.21 ATOM 1760 HA VAL 118 48.553 0.005 -36.766 1.00 41.44 ATOM 1761 CB VAL 118 46.734 -0.912 -37.459 1.00 52.41 ATOM 1762 HB VAL 118 46.456 -1.856 -37.910 1.00 52.11 ATOM 1763 CG1 VAL 118 46.068 -0.833 -36.087 1.00 44.35 ATOM 1764 HG11 VAL 118 46.367 -1.683 -35.490 1.00 73.43 ATOM 1765 HG12 VAL 118 44.994 -0.839 -36.205 1.00 14.43 ATOM 1766 HG13 VAL 118 46.368 0.078 -35.589 1.00 41.14 ATOM 1767 CG2 VAL 118 46.235 0.209 -38.369 1.00 22.11 ATOM 1768 HG21 VAL 118 45.162 0.138 -38.475 1.00 41.52 ATOM 1769 HG22 VAL 118 46.698 0.120 -39.342 1.00 22.45 ATOM 1770 HG23 VAL 118 46.490 1.166 -37.937 1.00 4.34 ATOM 1771 C VAL 118 48.733 -2.127 -36.545 1.00 5.23 ATOM 1772 O VAL 118 48.898 -2.080 -35.327 1.00 64.12 ATOM 1773 N LEU 119 48.949 -3.233 -37.261 1.00 51.54 ATOM 1774 HN LEU 119 48.846 -3.194 -38.234 1.00 37.42 ATOM 1775 CA LEU 119 49.345 -4.505 -36.638 1.00 2.05 ATOM 1776 HA LEU 119 48.585 -4.760 -35.913 1.00 41.52 ATOM 1777 CB LEU 119 49.404 -5.614 -37.699 1.00 21.02 ATOM 1778 HB1 LEU 119 49.696 -6.535 -37.213 1.00 37.42 ATOM 1779 HB2 LEU 119 50.163 -5.352 -38.423 1.00 0.41 ATOM 1780 CG LEU 119 48.082 -5.862 -38.449 1.00 64.22 ATOM 1781 HG LEU 119 47.780 -4.946 -38.938 1.00 44.14 ATOM 1782 CD1 LEU 119 48.253 -6.929 -39.526 1.00 42.25 ATOM 1783 HD11 LEU 119 49.003 -6.608 -40.235 1.00 51.21 ATOM 1784 HD12 LEU 119 47.314 -7.075 -40.041 1.00 15.51 ATOM 1785 HD13 LEU 119 48.562 -7.859 -39.072 1.00 41.01 ATOM 1786 CD2 LEU 119 46.978 -6.258 -37.471 1.00 31.33 ATOM 1787 HD21 LEU 119 46.054 -6.405 -38.011 1.00 34.12 ATOM 1788 HD22 LEU 119 46.844 -5.474 -36.740 1.00 24.42 ATOM 1789 HD23 LEU 119 47.251 -7.175 -36.968 1.00 25.30 ATOM 1790 C LEU 119 50.693 -4.387 -35.904 1.00 14.14 ATOM 1791 O LEU 119 50.806 -4.762 -34.734 1.00 3.51 ATOM 1792 N ASN 120 51.709 -3.858 -36.587 1.00 52.51 ATOM 1793 HN ASN 120 51.587 -3.646 -37.537 1.00 37.42 ATOM 1794 CA ASN 120 53.014 -3.608 -35.957 1.00 4.22 ATOM 1795 HA ASN 120 53.385 -4.555 -35.592 1.00 31.14 ATOM 1796 CB ASN 120 54.013 -3.045 -36.976 1.00 53.53 ATOM 1797 HB1 ASN 120 54.891 -2.690 -36.453 1.00 37.42 ATOM 1798 HB2 ASN 120 53.556 -2.220 -37.502 1.00 52.15 ATOM 1799 CG ASN 120 54.452 -4.083 -37.993 1.00 43.13 ATOM 1800 OD1 ASN 120 54.511 -5.272 -37.699 1.00 52.15 ATOM 1801 ND2 ASN 120 54.777 -3.646 -39.193 1.00 40.13 ATOM 1802 HD21 ASN 120 54.719 -2.687 -39.368 1.00 11.23 ATOM 1803 HD22 ASN 120 55.070 -4.303 -39.857 1.00 0.03 ATOM 1804 C ASN 120 52.882 -2.647 -34.763 1.00 65.21 ATOM 1805 O ASN 120 53.570 -2.800 -33.748 1.00 14.22 ATOM 1806 N ASN 121 51.994 -1.660 -34.886 1.00 23.30 ATOM 1807 HN ASN 121 51.516 -1.553 -35.737 1.00 37.42 ATOM 1808 CA ASN 121 51.722 -0.725 -33.787 1.00 43.44 ATOM 1809 HA ASN 121 52.668 -0.304 -33.473 1.00 63.31 ATOM 1810 CB ASN 121 50.805 0.412 -34.260 1.00 5.22 ATOM 1811 HB1 ASN 121 50.631 1.093 -33.438 1.00 37.42 ATOM 1812 HB2 ASN 121 49.862 -0.005 -34.581 1.00 52.21 ATOM 1813 CG ASN 121 51.404 1.198 -35.415 1.00 3.03 ATOM 1814 OD1 ASN 121 52.618 1.292 -35.559 1.00 23.31 ATOM 1815 ND2 ASN 121 50.562 1.781 -36.243 1.00 31.33 ATOM 1816 HD21 ASN 121 49.603 1.684 -36.078 1.00 63.21 ATOM 1817 HD22 ASN 121 50.935 2.291 -36.993 1.00 44.43 ATOM 1818 C ASN 121 51.088 -1.456 -32.589 1.00 55.22 ATOM 1819 O ASN 121 51.412 -1.173 -31.432 1.00 75.43 ATOM 1820 N LEU 122 50.184 -2.396 -32.875 1.00 14.12 ATOM 1821 HN LEU 122 49.905 -2.517 -33.806 1.00 37.42 ATOM 1822 CA LEU 122 49.597 -3.249 -31.836 1.00 3.34 ATOM 1823 HA LEU 122 49.127 -2.605 -31.106 1.00 60.34 ATOM 1824 CB LEU 122 48.535 -4.189 -32.431 1.00 61.44 ATOM 1825 HB1 LEU 122 48.259 -4.910 -31.673 1.00 37.42 ATOM 1826 HB2 LEU 122 48.984 -4.723 -33.258 1.00 44.32 ATOM 1827 CG LEU 122 47.251 -3.512 -32.935 1.00 44.31 ATOM 1828 HG LEU 122 47.506 -2.791 -33.699 1.00 32.34 ATOM 1829 CD1 LEU 122 46.308 -4.538 -33.554 1.00 61.51 ATOM 1830 HD11 LEU 122 46.025 -5.268 -32.807 1.00 34.41 ATOM 1831 HD12 LEU 122 46.803 -5.037 -34.375 1.00 73.23 ATOM 1832 HD13 LEU 122 45.423 -4.039 -33.920 1.00 41.24 ATOM 1833 CD2 LEU 122 46.556 -2.770 -31.797 1.00 52.31 ATOM 1834 HD21 LEU 122 46.306 -3.467 -31.010 1.00 64.42 ATOM 1835 HD22 LEU 122 45.652 -2.308 -32.168 1.00 72.01 ATOM 1836 HD23 LEU 122 47.214 -2.007 -31.407 1.00 11.50 ATOM 1837 C LEU 122 50.681 -4.076 -31.139 1.00 62.53 ATOM 1838 O LEU 122 50.725 -4.144 -29.915 1.00 22.30 ATOM 1839 N LEU 123 51.558 -4.698 -31.932 1.00 75.43 ATOM 1840 HN LEU 123 51.445 -4.637 -32.905 1.00 37.42 ATOM 1841 CA LEU 123 52.680 -5.479 -31.394 1.00 41.52 ATOM 1842 HA LEU 123 52.269 -6.342 -30.886 1.00 33.02 ATOM 1843 CB LEU 123 53.589 -5.960 -32.538 1.00 2.12 ATOM 1844 HB1 LEU 123 53.987 -5.089 -33.042 1.00 37.42 ATOM 1845 HB2 LEU 123 52.981 -6.511 -33.243 1.00 64.34 ATOM 1846 CG LEU 123 54.770 -6.853 -32.117 1.00 41.34 ATOM 1847 HG LEU 123 55.369 -6.319 -31.392 1.00 11.11 ATOM 1848 CD1 LEU 123 54.274 -8.136 -31.453 1.00 5.42 ATOM 1849 HD11 LEU 123 53.647 -8.683 -32.143 1.00 32.23 ATOM 1850 HD12 LEU 123 53.705 -7.888 -30.569 1.00 40.25 ATOM 1851 HD13 LEU 123 55.119 -8.749 -31.173 1.00 53.51 ATOM 1852 CD2 LEU 123 55.663 -7.171 -33.317 1.00 2.33 ATOM 1853 HD21 LEU 123 56.065 -6.252 -33.720 1.00 71.00 ATOM 1854 HD22 LEU 123 55.083 -7.673 -34.078 1.00 74.22 ATOM 1855 HD23 LEU 123 56.475 -7.811 -33.003 1.00 32.11 ATOM 1856 C LEU 123 53.495 -4.651 -30.389 1.00 40.11 ATOM 1857 O LEU 123 53.777 -5.102 -29.276 1.00 41.03 ATOM 1858 N SER 124 53.850 -3.431 -30.787 1.00 73.42 ATOM 1859 HN SER 124 53.611 -3.140 -31.695 1.00 37.42 ATOM 1860 CA SER 124 54.586 -2.509 -29.911 1.00 43.52 ATOM 1861 HA SER 124 55.529 -2.975 -29.663 1.00 55.34 ATOM 1862 CB SER 124 54.866 -1.186 -30.639 1.00 2.14 ATOM 1863 HB1 SER 124 53.931 -0.748 -30.962 1.00 37.42 ATOM 1864 HB2 SER 124 55.488 -1.376 -31.502 1.00 15.14 ATOM 1865 OG SER 124 55.535 -0.263 -29.793 1.00 32.43 ATOM 1866 HG SER 124 56.245 -0.722 -29.321 1.00 34.44 ATOM 1867 C SER 124 53.816 -2.230 -28.612 1.00 11.40 ATOM 1868 O SER 124 54.382 -2.277 -27.519 1.00 22.43 ATOM 1869 N CYS 125 52.518 -1.950 -28.739 1.00 30.35 ATOM 1870 HN CYS 125 52.126 -1.927 -29.638 1.00 37.42 ATOM 1871 CA CYS 125 51.663 -1.665 -27.577 1.00 5.12 ATOM 1872 HA CYS 125 52.113 -0.844 -27.035 1.00 15.25 ATOM 1873 CB CYS 125 50.261 -1.237 -28.033 1.00 5.02 ATOM 1874 HB1 CYS 125 49.629 -1.108 -27.165 1.00 37.42 ATOM 1875 HB2 CYS 125 49.841 -2.005 -28.666 1.00 32.54 ATOM 1876 SG CYS 125 50.232 0.313 -28.965 1.00 4.21 ATOM 1877 HG CYS 125 50.335 0.019 -30.254 1.00 2.01 ATOM 1878 C CYS 125 51.561 -2.872 -26.629 1.00 22.12 ATOM 1879 O CYS 125 51.760 -2.738 -25.425 1.00 4.32 ATOM 1880 N VAL 126 51.266 -4.049 -27.177 1.00 75.32 ATOM 1881 HN VAL 126 51.145 -4.103 -28.147 1.00 37.42 ATOM 1882 CA VAL 126 51.125 -5.273 -26.371 1.00 31.45 ATOM 1883 HA VAL 126 50.332 -5.105 -25.653 1.00 24.24 ATOM 1884 CB VAL 126 50.728 -6.483 -27.255 1.00 22.53 ATOM 1885 HB VAL 126 51.514 -6.642 -27.980 1.00 63.23 ATOM 1886 CG1 VAL 126 50.591 -7.754 -26.418 1.00 74.03 ATOM 1887 HG11 VAL 126 50.312 -8.580 -27.058 1.00 54.31 ATOM 1888 HG12 VAL 126 49.830 -7.612 -25.664 1.00 52.11 ATOM 1889 HG13 VAL 126 51.534 -7.973 -25.940 1.00 21.14 ATOM 1890 CG2 VAL 126 49.435 -6.193 -28.015 1.00 61.43 ATOM 1891 HG21 VAL 126 49.171 -7.050 -28.618 1.00 64.23 ATOM 1892 HG22 VAL 126 49.578 -5.335 -28.655 1.00 50.43 ATOM 1893 HG23 VAL 126 48.639 -5.989 -27.312 1.00 14.53 ATOM 1894 C VAL 126 52.420 -5.608 -25.607 1.00 51.43 ATOM 1895 O VAL 126 52.391 -5.930 -24.414 1.00 22.30 ATOM 1896 N GLN 127 53.552 -5.533 -26.303 1.00 44.20 ATOM 1897 HN GLN 127 53.511 -5.312 -27.260 1.00 37.42 ATOM 1898 CA GLN 127 54.858 -5.773 -25.680 1.00 42.24 ATOM 1899 HA GLN 127 54.830 -6.758 -25.232 1.00 53.12 ATOM 1900 CB GLN 127 55.966 -5.746 -26.743 1.00 43.21 ATOM 1901 HB1 GLN 127 56.926 -5.825 -26.250 1.00 37.42 ATOM 1902 HB2 GLN 127 55.921 -4.804 -27.273 1.00 24.21 ATOM 1903 CG GLN 127 55.861 -6.879 -27.764 1.00 72.21 ATOM 1904 HG1 GLN 127 54.885 -6.838 -28.227 1.00 37.42 ATOM 1905 HG2 GLN 127 55.969 -7.823 -27.247 1.00 2.31 ATOM 1906 CD GLN 127 56.918 -6.802 -28.857 1.00 50.02 ATOM 1907 OE1 GLN 127 57.358 -5.723 -29.248 1.00 73.44 ATOM 1908 NE2 GLN 127 57.338 -7.946 -29.358 1.00 24.32 ATOM 1909 HE21 GLN 127 56.950 -8.776 -29.010 1.00 51.11 ATOM 1910 HE22 GLN 127 58.031 -7.918 -30.049 1.00 22.15 ATOM 1911 C GLN 127 55.142 -4.743 -24.573 1.00 61.22 ATOM 1912 O GLN 127 55.655 -5.090 -23.511 1.00 64.51 ATOM 1913 N GLU 128 54.784 -3.483 -24.825 1.00 63.52 ATOM 1914 HN GLU 128 54.408 -3.264 -25.706 1.00 37.42 ATOM 1915 CA GLU 128 54.941 -2.409 -23.834 1.00 63.45 ATOM 1916 HA GLU 128 55.982 -2.374 -23.545 1.00 1.34 ATOM 1917 CB GLU 128 54.547 -1.059 -24.457 1.00 42.20 ATOM 1918 HB1 GLU 128 53.493 -1.085 -24.702 1.00 37.42 ATOM 1919 HB2 GLU 128 55.111 -0.920 -25.368 1.00 22.52 ATOM 1920 CG GLU 128 54.796 0.149 -23.554 1.00 42.14 ATOM 1921 HG1 GLU 128 54.383 -0.059 -22.577 1.00 37.42 ATOM 1922 HG2 GLU 128 54.292 1.008 -23.977 1.00 23.03 ATOM 1923 CD GLU 128 56.274 0.487 -23.399 1.00 74.21 ATOM 1924 OE1 GLU 128 56.847 1.102 -24.325 1.00 64.03 ATOM 1925 OE2 GLU 128 56.864 0.165 -22.348 1.00 31.35 ATOM 1926 C GLU 128 54.082 -2.676 -22.581 1.00 21.15 ATOM 1927 O GLU 128 54.580 -2.631 -21.458 1.00 10.41 ATOM 1928 N ILE 129 52.791 -2.963 -22.790 1.00 43.15 ATOM 1929 HN ILE 129 52.459 -2.991 -23.711 1.00 37.42 ATOM 1930 CA ILE 129 51.854 -3.236 -21.687 1.00 21.14 ATOM 1931 HA ILE 129 51.741 -2.326 -21.114 1.00 42.13 ATOM 1932 CB ILE 129 50.456 -3.649 -22.227 1.00 72.24 ATOM 1933 HB ILE 129 50.589 -4.508 -22.870 1.00 14.52 ATOM 1934 CG1 ILE 129 49.834 -2.507 -23.045 1.00 31.12 ATOM 1935 HG11 ILE 129 50.520 -2.218 -23.828 1.00 37.42 ATOM 1936 HG12 ILE 129 49.661 -1.660 -22.397 1.00 52.20 ATOM 1937 CG2 ILE 129 49.525 -4.060 -21.084 1.00 50.42 ATOM 1938 HG21 ILE 129 49.949 -4.901 -20.554 1.00 1.10 ATOM 1939 HG22 ILE 129 48.561 -4.340 -21.484 1.00 52.34 ATOM 1940 HG23 ILE 129 49.403 -3.231 -20.401 1.00 10.11 ATOM 1941 CD1 ILE 129 48.515 -2.867 -23.694 1.00 13.32 ATOM 1942 HD11 ILE 129 47.802 -3.147 -22.933 1.00 40.32 ATOM 1943 HD12 ILE 129 48.662 -3.694 -24.373 1.00 24.01 ATOM 1944 HD13 ILE 129 48.140 -2.015 -24.242 1.00 62.40 ATOM 1945 C ILE 129 52.377 -4.344 -20.761 1.00 34.04 ATOM 1946 O ILE 129 52.527 -4.143 -19.554 1.00 2.45 ATOM 1947 N SER 130 52.661 -5.510 -21.339 1.00 33.03 ATOM 1948 HN SER 130 52.512 -5.609 -22.304 1.00 37.42 ATOM 1949 CA SER 130 53.191 -6.649 -20.573 1.00 61.10 ATOM 1950 HA SER 130 52.455 -6.911 -19.826 1.00 71.33 ATOM 1951 CB SER 130 53.413 -7.858 -21.492 1.00 65.15 ATOM 1952 HB1 SER 130 52.470 -8.151 -21.930 1.00 37.42 ATOM 1953 HB2 SER 130 53.810 -8.681 -20.916 1.00 42.13 ATOM 1954 OG SER 130 54.325 -7.554 -22.536 1.00 44.23 ATOM 1955 HG SER 130 53.851 -7.143 -23.267 1.00 71.02 ATOM 1956 C SER 130 54.503 -6.284 -19.865 1.00 60.13 ATOM 1957 O SER 130 54.748 -6.708 -18.737 1.00 2.50 ATOM 1958 N ASP 131 55.337 -5.490 -20.535 1.00 35.54 ATOM 1959 HN ASP 131 55.101 -5.219 -21.448 1.00 37.42 ATOM 1960 CA ASP 131 56.601 -5.017 -19.963 1.00 50.35 ATOM 1961 HA ASP 131 57.180 -5.884 -19.678 1.00 4.52 ATOM 1962 CB ASP 131 57.375 -4.229 -21.026 1.00 61.14 ATOM 1963 HB1 ASP 131 56.804 -3.353 -21.301 1.00 37.42 ATOM 1964 HB2 ASP 131 57.500 -4.853 -21.901 1.00 44.31 ATOM 1965 CG ASP 131 58.746 -3.783 -20.556 1.00 3.32 ATOM 1966 OD1 ASP 131 59.730 -4.518 -20.785 1.00 72.12 ATOM 1967 OD2 ASP 131 58.850 -2.687 -19.968 1.00 2.43 ATOM 1968 C ASP 131 56.363 -4.150 -18.711 1.00 1.15 ATOM 1969 O ASP 131 57.050 -4.307 -17.700 1.00 73.34 ATOM 1970 N VAL 132 55.384 -3.243 -18.781 1.00 2.51 ATOM 1971 HN VAL 132 54.885 -3.146 -19.623 1.00 37.42 ATOM 1972 CA VAL 132 55.035 -2.380 -17.641 1.00 43.54 ATOM 1973 HA VAL 132 55.906 -1.783 -17.402 1.00 21.01 ATOM 1974 CB VAL 132 53.867 -1.417 -17.988 1.00 14.03 ATOM 1975 HB VAL 132 52.999 -2.013 -18.239 1.00 71.13 ATOM 1976 CG1 VAL 132 53.507 -0.543 -16.791 1.00 1.14 ATOM 1977 HG11 VAL 132 54.372 0.030 -16.488 1.00 32.41 ATOM 1978 HG12 VAL 132 53.183 -1.167 -15.972 1.00 55.22 ATOM 1979 HG13 VAL 132 52.707 0.131 -17.065 1.00 30.23 ATOM 1980 CG2 VAL 132 54.213 -0.548 -19.197 1.00 55.13 ATOM 1981 HG21 VAL 132 53.379 0.099 -19.428 1.00 25.32 ATOM 1982 HG22 VAL 132 54.425 -1.177 -20.048 1.00 14.21 ATOM 1983 HG23 VAL 132 55.081 0.056 -18.971 1.00 74.13 ATOM 1984 C VAL 132 54.649 -3.208 -16.402 1.00 61.14 ATOM 1985 O VAL 132 55.015 -2.871 -15.271 1.00 63.43 ATOM 1986 N VAL 133 53.918 -4.295 -16.628 1.00 53.43 ATOM 1987 HN VAL 133 53.661 -4.508 -17.552 1.00 37.42 ATOM 1988 CA VAL 133 53.477 -5.179 -15.543 1.00 61.31 ATOM 1989 HA VAL 133 53.008 -4.564 -14.785 1.00 34.52 ATOM 1990 CB VAL 133 52.430 -6.205 -16.053 1.00 11.05 ATOM 1991 HB VAL 133 52.932 -6.895 -16.719 1.00 55.54 ATOM 1992 CG1 VAL 133 51.837 -7.009 -14.893 1.00 33.11 ATOM 1993 HG11 VAL 133 51.348 -6.338 -14.201 1.00 20.33 ATOM 1994 HG12 VAL 133 52.627 -7.539 -14.380 1.00 12.33 ATOM 1995 HG13 VAL 133 51.118 -7.721 -15.273 1.00 42.22 ATOM 1996 CG2 VAL 133 51.328 -5.502 -16.848 1.00 2.41 ATOM 1997 HG21 VAL 133 50.818 -4.793 -16.212 1.00 3.55 ATOM 1998 HG22 VAL 133 50.620 -6.234 -17.211 1.00 32.01 ATOM 1999 HG23 VAL 133 51.765 -4.980 -17.687 1.00 12.51 ATOM 2000 C VAL 133 54.663 -5.933 -14.908 1.00 24.52 ATOM 2001 O VAL 133 54.597 -6.363 -13.757 1.00 12.15 ATOM 2002 N GLN 134 55.748 -6.086 -15.669 1.00 72.11 ATOM 2003 HN GLN 134 55.749 -5.707 -16.574 1.00 37.42 ATOM 2004 CA GLN 134 56.940 -6.810 -15.196 1.00 33.31 ATOM 2005 HA GLN 134 56.605 -7.635 -14.582 1.00 54.35 ATOM 2006 CB GLN 134 57.724 -7.370 -16.394 1.00 44.54 ATOM 2007 HB1 GLN 134 58.590 -7.905 -16.027 1.00 37.42 ATOM 2008 HB2 GLN 134 58.058 -6.545 -17.008 1.00 1.25 ATOM 2009 CG GLN 134 56.914 -8.321 -17.272 1.00 34.23 ATOM 2010 HG1 GLN 134 56.028 -7.803 -17.614 1.00 37.42 ATOM 2011 HG2 GLN 134 56.621 -9.175 -16.680 1.00 74.04 ATOM 2012 CD GLN 134 57.684 -8.817 -18.486 1.00 52.14 ATOM 2013 OE1 GLN 134 58.905 -8.949 -18.460 1.00 24.34 ATOM 2014 NE2 GLN 134 56.976 -9.087 -19.565 1.00 3.35 ATOM 2015 HE21 GLN 134 56.008 -8.950 -19.529 1.00 35.14 ATOM 2016 HE22 GLN 134 57.449 -9.419 -20.353 1.00 72.22 ATOM 2017 C GLN 134 57.868 -5.916 -14.351 1.00 61.11 ATOM 2018 O GLN 134 58.835 -6.402 -13.760 1.00 12.43 ATOM 2019 N ARG 135 57.570 -4.618 -14.293 1.00 31.31 ATOM 2020 HN ARG 135 56.749 -4.300 -14.725 1.00 37.42 ATOM 2021 HA ARG 135 59.459 -3.968 -13.724 1.00 15.43 ATOM 2022 CB ARG 135 58.276 -2.255 -14.221 1.00 14.41 ATOM 2023 HB1 ARG 135 58.989 -1.582 -13.767 1.00 37.42 ATOM 2024 HB2 ARG 135 57.276 -1.893 -14.022 1.00 64.12 ATOM 2025 CG ARG 135 58.498 -2.245 -15.727 1.00 63.11 ATOM 2026 HG1 ARG 135 57.810 -2.942 -16.183 1.00 37.42 ATOM 2027 HG2 ARG 135 59.513 -2.556 -15.933 1.00 52.12 ATOM 2028 CD ARG 135 58.277 -0.864 -16.332 1.00 45.45 ATOM 2029 HD1 ARG 135 59.078 -0.211 -16.017 1.00 37.42 ATOM 2030 HD2 ARG 135 57.333 -0.474 -15.978 1.00 41.53 ATOM 2031 NE ARG 135 58.253 -0.916 -17.790 1.00 13.22 ATOM 2032 HE ARG 135 58.624 -1.714 -18.222 1.00 4.33 ATOM 2033 CZ ARG 135 57.750 0.011 -18.555 1.00 64.31 ATOM 2034 NH1 ARG 135 57.278 1.107 -18.054 1.00 52.15 ATOM 2035 HH11 ARG 135 57.300 1.253 -17.074 1.00 35.41 ATOM 2036 HH12 ARG 135 56.898 1.806 -18.659 1.00 54.32 ATOM 2037 NH2 ARG 135 57.730 -0.170 -19.829 1.00 40.12 ATOM 2038 HH21 ARG 135 58.100 -1.013 -20.213 1.00 62.34 ATOM 2039 HH22 ARG 135 57.342 0.525 -20.430 1.00 74.00 ATOM 2040 CA ARG 135 58.434 -3.646 -13.592 1.00 42.24 ATOM 2041 C ARG 135 58.132 -3.583 -12.080 1.00 54.52 ATOM 2042 OT1 ARG 135 57.143 -2.930 -11.686 1.00 37.42 ATOM 2043 OT2 ARG 135 58.895 -4.178 -11.290 1.00 37.42 ATOM 2044 OH2 TIP3 1 16.247 -34.312 -5.852 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 1 16.888 -34.505 -6.544 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 1 16.653 -34.685 -5.037 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 2 10.594 -36.409 -3.888 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 2 10.250 -36.395 -2.970 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 2 9.926 -36.895 -4.383 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 3 5.407 -33.663 1.186 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 3 5.088 -32.785 0.867 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 3 5.337 -34.249 0.393 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 4 17.207 -34.504 -1.170 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 4 17.221 -34.801 -2.107 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 4 18.078 -34.072 -1.045 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 5 10.488 -30.714 -2.478 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 5 11.112 -30.274 -3.097 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 5 9.630 -30.632 -2.913 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 6 14.342 -40.651 -0.880 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 6 14.437 -41.538 -1.239 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 6 13.689 -40.756 -0.151 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 7 7.888 -39.395 -0.074 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 7 7.560 -40.281 -0.239 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 7 8.360 -39.468 0.781 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 8 10.814 -33.269 -1.186 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 8 10.683 -32.400 -1.618 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 8 10.397 -33.901 -1.791 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 9 7.434 -36.963 -1.192 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 9 8.371 -36.731 -1.318 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 9 7.463 -37.866 -0.806 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 10 14.326 -31.140 -4.488 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 10 14.042 -32.070 -4.635 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 10 15.067 -31.021 -5.097 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 11 19.014 -30.853 -1.827 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 11 19.343 -31.717 -1.492 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 11 19.330 -30.824 -2.758 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 12 12.832 -27.578 -2.545 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 12 12.740 -26.617 -2.704 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 12 12.363 -27.990 -3.292 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 13 9.007 -29.016 2.245 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 13 8.879 -28.051 2.077 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 13 9.590 -29.308 1.513 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 14 14.634 -29.537 -2.233 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 14 13.941 -28.842 -2.377 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 14 14.500 -30.165 -2.979 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 15 10.058 -36.159 -1.211 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 15 11.017 -36.273 -1.037 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 15 9.729 -35.683 -0.418 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 16 13.161 -35.665 -3.409 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 16 13.336 -34.901 -3.998 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 16 12.251 -35.957 -3.660 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 17 9.750 -34.744 1.088 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 17 10.192 -34.003 0.633 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 17 9.008 -34.317 1.568 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 18 10.526 -37.241 1.918 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 18 11.132 -37.458 1.196 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 18 10.148 -36.370 1.659 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 19 12.746 -36.068 -0.690 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 19 12.936 -36.008 -1.652 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 19 13.612 -36.282 -0.292 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 20 15.267 -27.431 -6.492 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 20 14.300 -27.591 -6.504 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 20 15.502 -27.455 -5.538 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 21 16.174 -28.364 -0.304 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 21 15.583 -27.728 0.148 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 21 15.654 -28.668 -1.077 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 22 17.207 -30.863 0.234 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 22 16.849 -29.953 0.161 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 22 17.845 -30.928 -0.508 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 23 13.678 -33.718 -5.309 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 23 14.608 -33.955 -5.554 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 23 13.168 -33.905 -6.108 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 24 17.389 -35.592 -3.716 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 24 16.825 -36.396 -3.726 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 24 18.309 -35.942 -3.694 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 25 12.086 -29.518 -4.468 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 25 12.824 -30.159 -4.542 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 25 12.112 -29.028 -5.320 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 26 12.580 -28.122 -6.851 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 26 11.827 -27.523 -7.030 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 26 12.878 -28.393 -7.744 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 27 10.850 -26.881 -8.646 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 27 10.158 -26.973 -9.305 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 27 11.658 -27.207 -9.097 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 28 13.514 -29.751 0.365 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 28 13.913 -29.826 -0.526 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 28 13.725 -28.843 0.643 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 29 11.384 -35.523 11.200 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 29 10.766 -35.339 10.481 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 29 11.490 -36.502 11.181 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 30 13.144 -27.417 10.075 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 30 12.455 -27.753 9.465 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 30 12.908 -26.471 10.201 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 31 11.296 -32.220 11.724 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 31 10.549 -32.544 12.235 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 31 10.978 -31.387 11.331 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 32 11.538 -39.709 9.057 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 32 12.495 -39.760 8.961 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 32 11.200 -40.348 8.395 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 33 13.138 -43.559 7.726 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 33 13.325 -43.731 8.655 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 33 13.468 -44.339 7.268 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 34 10.215 -34.795 7.664 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 34 10.458 -35.662 8.057 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 34 9.313 -34.944 7.310 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 35 6.896 -33.555 8.450 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 35 6.113 -33.876 8.906 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 35 7.119 -34.272 7.818 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 36 11.381 -36.645 4.477 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 36 11.403 -37.505 4.951 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 36 11.006 -36.870 3.598 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 37 17.994 -35.624 10.484 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 37 17.758 -36.570 10.642 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 37 18.333 -35.614 9.556 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 38 12.272 -36.060 13.869 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 38 12.091 -35.181 14.274 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 38 11.788 -36.035 13.026 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 39 9.187 -32.236 7.904 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 39 8.313 -32.532 8.246 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 39 9.742 -33.044 7.948 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 40 11.709 -31.195 8.232 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 40 10.778 -31.453 8.079 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 40 11.670 -30.636 9.022 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 41 6.194 -35.583 4.495 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 41 6.094 -36.188 3.753 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 41 5.513 -34.896 4.338 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 42 11.071 -29.663 10.536 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 42 10.902 -29.081 9.762 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 42 10.835 -29.108 11.304 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 43 13.229 -37.733 15.790 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 43 12.967 -37.353 16.637 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 43 12.858 -37.107 15.119 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 44 14.112 -41.843 14.570 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 44 14.886 -42.322 14.257 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 44 13.743 -42.407 15.258 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 45 7.734 -35.540 6.728 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 45 7.190 -35.507 5.906 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 45 7.842 -36.499 6.902 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 46 11.564 -39.277 5.268 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 46 11.723 -39.978 5.935 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 46 12.237 -39.451 4.572 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 47 18.710 -41.742 11.185 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 47 18.839 -41.067 10.488 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 47 19.001 -42.563 10.779 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 48 11.477 -41.510 6.923 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 48 10.835 -41.982 6.352 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 48 12.102 -42.213 7.213 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 49 11.910 -38.178 11.430 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 49 12.048 -38.706 12.247 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 49 11.583 -38.828 10.778 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 50 10.340 -42.140 2.389 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 50 9.974 -42.607 1.630 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 50 9.966 -41.230 2.317 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 51 8.941 -39.907 5.082 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 51 9.868 -39.580 5.143 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 51 9.027 -40.878 5.164 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 52 10.203 -37.325 8.601 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 52 10.681 -38.140 8.848 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 52 9.417 -37.648 8.116 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 53 12.630 -41.120 1.241 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 53 11.920 -41.657 1.640 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 53 12.883 -40.500 1.950 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 54 13.578 -29.951 11.656 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 54 12.700 -29.995 11.215 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 54 13.523 -30.627 12.365 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 55 13.516 -39.558 3.356 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 55 14.293 -40.097 3.543 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 55 13.887 -38.694 3.075 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 56 15.099 -37.384 2.638 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 56 16.010 -37.664 2.784 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 56 15.113 -36.982 1.741 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 57 17.583 -34.376 12.967 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 57 17.894 -34.811 12.149 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 57 17.060 -35.069 13.424 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 58 8.087 -30.594 5.968 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 58 7.386 -31.200 5.651 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 58 8.444 -31.038 6.769 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 59 15.764 -29.540 9.936 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 59 16.203 -28.802 10.372 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 59 14.909 -29.625 10.407 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 60 8.473 -25.986 6.451 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 60 8.502 -25.282 5.768 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 60 8.237 -26.800 5.943 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 61 10.492 -32.052 1.725 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 61 10.525 -31.267 1.144 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 61 9.538 -32.259 1.796 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 62 6.541 -32.048 4.258 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 62 5.717 -32.585 4.269 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 62 6.309 -31.264 3.712 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 63 4.392 -33.640 3.695 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 63 3.437 -33.525 3.631 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 63 4.692 -33.694 2.753 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 64 9.727 -42.587 5.039 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 64 10.053 -42.560 4.110 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 64 9.242 -43.420 5.096 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 65 13.061 -39.502 13.654 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 65 12.991 -39.014 14.501 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 65 13.381 -40.394 13.918 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 66 6.364 -29.776 2.683 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 66 7.285 -29.603 2.389 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 66 6.148 -29.013 3.236 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 67 19.068 -39.524 9.577 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 67 18.222 -39.055 9.712 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 67 19.692 -39.067 10.185 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 68 4.691 -31.089 0.882 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 68 5.258 -30.562 1.482 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 68 4.156 -30.436 0.425 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 69 10.685 -29.836 0.155 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 69 11.648 -29.672 0.183 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 69 10.510 -30.061 -0.784 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 70 12.634 -29.691 17.629 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 70 13.152 -30.185 18.304 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 70 12.408 -28.849 18.071 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 71 5.286 -35.330 -0.946 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 71 4.649 -35.789 -1.500 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 71 6.108 -35.867 -1.030 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 72 7.908 -32.992 2.117 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 72 7.525 -32.741 2.984 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 72 7.127 -33.271 1.587 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 73 9.190 -39.648 2.319 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 73 9.647 -38.785 2.192 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 73 8.881 -39.619 3.248 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 74 8.746 -31.629 16.418 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 74 8.149 -30.838 16.426 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 74 8.251 -32.291 15.921 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 75 8.040 -38.267 7.103 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 75 8.306 -38.824 6.336 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 75 7.285 -38.732 7.481 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 76 16.336 -36.403 17.808 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 76 16.988 -36.368 18.541 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 76 15.779 -35.606 17.944 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 77 8.563 -26.369 1.699 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 77 7.860 -25.688 1.773 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 77 9.057 -26.113 0.911 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 78 14.140 -30.913 19.565 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 78 15.021 -31.313 19.395 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 78 14.328 -30.165 20.172 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 79 15.451 -36.293 0.124 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 79 15.656 -37.127 -0.366 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 79 16.100 -35.645 -0.229 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 80 15.287 -37.394 -3.740 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 80 14.534 -36.779 -3.586 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 80 14.949 -38.027 -4.384 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 81 13.773 -35.403 4.077 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 81 12.942 -35.876 4.293 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 81 14.350 -36.096 3.702 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 82 16.186 -32.204 12.284 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 82 16.576 -33.006 12.701 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 82 15.452 -31.950 12.884 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 83 15.920 -38.161 15.867 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 83 14.939 -38.213 15.846 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 83 16.111 -37.556 16.630 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 84 16.029 -38.515 -1.289 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 84 15.470 -39.317 -1.155 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 84 15.873 -38.269 -2.222 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 85 20.878 -40.042 7.605 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 85 20.439 -40.716 7.075 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 85 20.251 -39.876 8.346 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 86 17.031 -38.116 10.976 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 86 17.496 -38.650 11.659 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 86 16.111 -38.042 11.318 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 87 14.553 -37.798 12.143 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 87 14.302 -38.496 12.787 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 87 13.717 -37.609 11.674 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 88 11.253 -30.959 15.585 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 88 10.357 -31.171 15.930 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 88 11.737 -30.619 16.370 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 89 13.009 -24.724 10.311 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 89 13.692 -24.033 10.213 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 89 12.346 -24.506 9.612 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 90 9.120 -25.888 9.174 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 90 8.446 -25.595 9.826 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 90 8.640 -25.888 8.312 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 91 16.757 -30.180 16.896 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 91 16.441 -29.541 17.564 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 91 17.528 -29.734 16.489 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 92 14.312 -31.307 14.035 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 92 14.424 -32.120 14.580 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 92 14.203 -30.594 14.691 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 93 10.734 -25.919 21.798 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 93 10.568 -24.953 21.741 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 93 11.657 -26.024 21.477 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 94 14.847 -34.115 17.936 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 94 13.945 -33.908 18.277 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 94 15.409 -33.401 18.303 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 95 14.627 -28.588 20.976 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 95 14.754 -28.729 21.942 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 95 14.044 -27.799 20.925 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 96 12.557 -33.076 18.966 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 96 13.061 -32.295 19.274 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 96 11.631 -32.769 18.942 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 97 13.801 -28.714 15.338 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 97 14.541 -28.199 15.738 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 97 13.344 -29.111 16.112 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 98 7.036 -29.547 16.336 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 98 7.118 -29.011 17.162 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 98 6.268 -29.178 15.894 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 99 11.980 -33.589 14.918 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 99 11.710 -32.666 15.088 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 99 12.943 -33.591 15.088 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 100 9.868 -32.371 18.801 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 100 9.508 -32.058 17.941 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 100 9.535 -33.273 18.881 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 101 16.519 -32.087 18.774 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 101 16.569 -31.493 17.988 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 101 17.304 -32.670 18.681 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 102 9.608 -30.115 20.481 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 102 9.252 -30.612 21.223 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 102 9.815 -30.800 19.812 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 103 14.813 -28.892 23.682 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 103 15.083 -28.322 24.411 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 103 14.399 -29.649 24.111 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 104 10.285 -25.405 24.473 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 104 10.426 -25.754 23.570 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 104 9.480 -25.836 24.771 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 105 10.667 -18.275 -8.702 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 105 10.007 -17.823 -9.232 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 105 10.792 -17.691 -7.922 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 106 17.389 -15.773 -12.641 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 106 16.601 -15.953 -13.203 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 106 18.132 -16.128 -13.161 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 107 11.947 -11.525 -8.743 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 107 11.829 -11.978 -9.585 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 107 12.066 -12.259 -8.093 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 108 19.063 -22.434 -7.881 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 108 18.213 -22.019 -8.175 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 108 18.851 -23.388 -7.820 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 109 13.822 -17.263 -16.465 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 109 13.533 -16.748 -17.223 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 109 13.450 -18.136 -16.613 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 110 13.173 -27.971 -9.595 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 110 13.148 -28.212 -10.549 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 110 13.961 -27.386 -9.517 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 111 17.363 -13.573 -10.974 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 111 17.515 -12.961 -11.702 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 111 17.327 -14.457 -11.409 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 112 15.315 -26.377 -9.026 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 112 16.087 -25.808 -9.087 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 112 15.325 -26.696 -8.100 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 113 14.914 -11.829 -15.110 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 113 15.846 -11.654 -15.348 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 113 14.778 -12.751 -15.355 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 114 15.594 -16.139 -14.672 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 114 15.977 -15.504 -15.310 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 114 14.905 -16.607 -15.187 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 115 17.538 -11.381 -15.891 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 115 17.383 -10.446 -16.158 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 115 17.776 -11.830 -16.731 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 116 19.181 -13.083 -5.160 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 116 18.957 -12.505 -4.424 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 116 18.316 -13.470 -5.432 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 117 14.621 -9.238 -14.287 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 117 14.557 -10.193 -14.511 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 117 14.880 -8.819 -15.116 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 118 12.932 -24.737 -3.151 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 118 12.385 -24.191 -2.547 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 118 12.942 -24.227 -3.986 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 119 15.649 -25.319 -2.812 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 119 14.699 -25.122 -2.946 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 119 15.797 -26.140 -3.324 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 120 11.442 -22.785 -1.789 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 120 11.486 -22.493 -0.857 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 120 10.476 -22.750 -2.005 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 121 12.460 -20.336 -8.933 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 121 11.894 -19.533 -8.972 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 121 12.103 -20.839 -8.180 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 122 9.725 -20.357 -4.935 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 122 9.198 -19.645 -4.529 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 122 10.503 -20.439 -4.354 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 123 13.075 -28.474 -12.277 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 123 12.631 -29.189 -12.742 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 123 13.577 -28.020 -12.962 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 124 12.345 -18.066 -4.638 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 124 13.304 -17.841 -4.689 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 124 12.335 -19.017 -4.438 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 125 8.339 -18.550 -3.167 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 125 7.534 -19.045 -2.889 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 125 8.879 -18.518 -2.369 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 126 10.963 -16.567 -6.555 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 126 10.251 -16.307 -5.939 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 126 11.562 -17.115 -6.006 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 127 19.787 -12.178 -14.501 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 127 18.920 -11.853 -14.820 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 127 20.420 -11.883 -15.195 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 128 16.960 -20.134 -11.957 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 128 17.456 -19.715 -11.226 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 128 16.088 -20.330 -11.571 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 129 12.281 -13.889 -7.350 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 129 11.749 -14.702 -7.314 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 129 12.985 -14.039 -6.686 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 130 17.153 -8.854 -16.891 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 130 18.084 -8.682 -17.175 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 130 16.897 -8.042 -16.403 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 131 16.644 -14.169 -16.304 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 131 17.110 -13.625 -15.657 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 131 17.045 -13.915 -17.158 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 132 12.976 -22.952 -5.407 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 132 13.644 -23.279 -6.022 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 132 12.265 -22.598 -5.990 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 133 11.026 -21.744 -6.949 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 133 10.337 -22.061 -7.546 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 133 10.540 -21.184 -6.297 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 134 14.640 -21.017 -10.437 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 134 13.944 -20.610 -9.866 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 134 14.153 -21.624 -11.000 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 135 14.176 -9.872 -8.362 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 135 13.339 -10.369 -8.457 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 135 13.978 -8.991 -8.742 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 136 14.027 -14.701 -5.319 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 136 13.282 -14.697 -4.681 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 136 14.432 -15.586 -5.201 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 137 14.901 -17.230 -4.576 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 137 15.055 -17.242 -3.606 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 137 15.668 -17.718 -4.944 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 138 12.161 -20.863 -3.656 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 138 12.622 -21.426 -4.311 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 138 11.878 -21.496 -2.959 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 139 6.529 -20.176 -1.808 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 139 5.588 -20.132 -1.556 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 139 6.909 -20.823 -1.184 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 140 8.839 -22.322 -2.234 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 140 8.297 -21.913 -2.921 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 140 8.280 -22.279 -1.430 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 141 7.276 -22.147 0.034 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 141 7.553 -22.971 0.472 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 141 6.557 -21.809 0.609 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 142 16.789 -9.669 -7.833 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 142 15.805 -9.708 -7.922 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 142 17.069 -10.599 -7.913 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 143 19.511 -14.056 -1.420 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 143 19.768 -14.273 -0.500 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 143 19.732 -13.107 -1.511 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 144 20.564 -15.839 -16.803 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 144 21.386 -16.284 -16.522 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 144 19.924 -16.067 -16.107 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 145 18.939 -19.995 -13.782 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 145 18.565 -19.312 -14.358 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 145 18.212 -20.185 -13.135 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 146 16.762 -12.461 -8.549 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 146 17.064 -12.960 -9.347 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 146 15.842 -12.237 -8.748 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 147 19.667 -16.606 -14.094 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 147 20.043 -15.747 -13.803 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 147 20.185 -17.271 -13.604 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 148 16.889 -21.196 -8.843 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 148 17.326 -20.378 -9.147 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 148 16.041 -21.211 -9.335 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 149 15.319 -8.071 -11.955 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 149 15.047 -8.700 -12.668 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 149 15.468 -7.233 -12.430 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 150 13.770 -2.514 -6.620 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 150 13.252 -3.289 -6.379 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 150 13.477 -1.823 -5.978 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 151 16.637 -13.705 -5.974 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 151 15.725 -13.978 -5.748 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 151 16.558 -13.318 -6.863 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 152 3.678 -20.380 3.715 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 152 4.080 -19.769 4.349 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 152 3.256 -21.050 4.271 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 153 15.415 -23.703 9.503 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 153 15.671 -23.584 10.443 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 153 15.614 -22.833 9.094 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 154 10.861 -17.961 7.793 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 154 10.582 -17.499 8.609 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 154 10.629 -17.352 7.087 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 155 15.634 -22.965 12.114 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 155 15.106 -22.155 11.950 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 155 15.872 -22.908 13.073 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 156 10.965 -27.867 8.416 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 156 11.168 -27.610 7.493 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 156 10.188 -27.321 8.648 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 157 12.792 -19.850 -1.114 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 157 12.653 -19.968 -2.071 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 157 13.755 -19.721 -1.027 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 158 16.228 -21.115 2.338 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 158 16.875 -21.810 2.101 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 158 15.415 -21.380 1.867 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 159 11.492 -20.006 12.281 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 159 11.406 -19.032 12.186 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 159 10.647 -20.357 11.921 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 160 19.956 -14.013 1.295 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 160 20.823 -13.954 1.757 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 160 19.602 -13.116 1.352 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 161 13.062 -21.530 16.266 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 161 12.739 -21.802 17.137 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 161 12.241 -21.426 15.732 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 162 10.553 -26.855 11.477 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 162 10.033 -26.443 12.179 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 162 10.136 -26.539 10.654 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 163 15.226 -17.301 -1.844 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 163 14.544 -16.714 -1.494 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 163 16.074 -16.828 -1.648 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 164 10.528 -22.781 2.891 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 164 10.815 -22.391 2.036 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 164 10.987 -22.255 3.554 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 165 9.959 -16.233 9.907 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 165 9.902 -15.306 9.653 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 165 9.280 -16.330 10.615 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 166 3.982 -20.647 -0.642 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 166 3.353 -21.017 -1.271 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 166 3.421 -20.128 -0.017 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 167 10.823 -21.043 14.768 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 167 11.078 -20.553 13.953 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 167 10.284 -20.409 15.273 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 168 8.991 -20.961 11.642 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 168 8.432 -21.157 12.418 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 168 8.585 -21.457 10.926 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 169 5.140 -21.771 1.691 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 169 4.737 -21.247 2.410 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 169 4.649 -21.495 0.890 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 170 11.410 -24.618 8.169 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 170 10.544 -24.890 8.528 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 170 11.461 -25.072 7.304 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 171 8.110 -21.709 14.196 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 171 9.082 -21.776 14.254 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 171 7.865 -21.183 14.981 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 172 9.155 -16.170 -4.465 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 172 8.329 -15.676 -4.456 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 172 8.915 -17.044 -4.085 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 173 3.328 -20.181 6.983 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 173 3.650 -20.799 7.644 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 173 2.841 -19.523 7.488 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 174 17.427 -15.935 -1.153 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 174 18.058 -15.249 -1.444 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 174 17.705 -16.141 -0.237 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 175 17.557 -19.042 0.883 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 175 17.180 -19.502 1.659 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 175 17.793 -18.153 1.218 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 176 8.936 -24.705 4.025 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 176 9.523 -24.003 3.657 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 176 9.024 -25.443 3.394 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 177 8.659 -17.735 16.761 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 177 7.969 -17.618 17.445 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 177 8.716 -18.710 16.648 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 178 6.978 -24.089 2.042 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 178 7.396 -24.015 2.920 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 178 6.233 -23.459 2.077 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 179 12.335 -20.293 7.217 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 179 11.920 -19.427 7.420 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 179 11.708 -20.938 7.552 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 180 11.828 -15.485 -3.732 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 180 10.869 -15.416 -3.864 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 180 12.019 -16.429 -3.886 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 181 11.261 -17.295 12.172 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 181 11.047 -16.910 11.299 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 181 10.580 -16.928 12.769 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 182 9.695 -16.415 14.480 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 182 10.572 -16.164 14.848 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 182 9.210 -16.778 15.252 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 183 2.480 -19.543 1.350 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 183 1.887 -18.816 1.564 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 183 2.832 -19.831 2.217 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 184 6.988 -18.028 19.023 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 184 6.714 -17.390 19.690 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 184 7.705 -18.550 19.466 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 185 8.671 -20.470 16.651 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 185 9.222 -21.124 17.144 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 185 7.789 -20.518 17.092 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 186 6.682 -23.964 13.634 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 186 7.139 -23.114 13.827 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 186 6.140 -24.122 14.413 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 187 8.295 -16.250 12.092 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 187 8.685 -16.250 12.995 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 187 7.347 -16.318 12.245 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 188 11.176 -17.271 17.781 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 188 10.261 -17.388 17.454 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 188 11.618 -16.762 17.072 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 189 10.162 -22.284 18.083 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 189 10.592 -21.998 18.912 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 189 9.823 -23.185 18.288 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 190 7.481 -25.396 11.408 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 190 7.245 -24.840 12.186 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 190 6.701 -25.940 11.264 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 191 11.192 -29.111 13.553 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 191 11.334 -29.872 14.161 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 191 10.429 -28.655 13.923 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 192 11.959 -27.032 18.377 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 192 11.738 -26.578 17.555 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 192 11.090 -27.202 18.800 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 193 18.324 -16.305 1.431 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 193 19.009 -15.607 1.389 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 193 17.863 -16.135 2.283 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 194 17.088 -15.750 3.801 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 194 16.443 -16.348 4.196 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 194 17.041 -14.955 4.343 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 195 15.573 -19.851 -0.866 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 195 16.338 -19.712 -0.269 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 195 15.520 -19.013 -1.377 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 196 14.635 -21.691 6.589 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 196 15.150 -21.449 7.382 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 196 13.811 -21.160 6.671 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 197 13.376 -17.696 13.960 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 197 12.783 -17.606 13.187 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 197 13.802 -18.564 13.838 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 198 14.530 -20.291 14.116 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 198 13.884 -20.755 14.680 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 198 15.326 -20.233 14.671 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 199 15.789 -21.033 9.058 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 199 16.479 -20.373 9.181 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 199 15.146 -20.843 9.774 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 200 14.134 -20.714 11.427 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 200 13.167 -20.570 11.392 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 200 14.384 -20.410 12.327 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 201 11.176 -26.414 6.047 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 201 10.207 -26.291 6.120 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 201 11.314 -26.660 5.110 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 202 8.329 -28.161 4.861 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 202 8.671 -28.457 3.999 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 202 8.220 -28.994 5.375 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 203 11.812 -21.579 0.767 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 203 11.909 -20.784 0.198 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 203 12.733 -21.844 0.960 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 204 11.888 -17.073 22.195 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 204 11.543 -16.360 22.742 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 204 12.587 -17.485 22.748 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 205 11.449 -21.386 20.369 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 205 11.511 -20.428 20.163 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 205 12.298 -21.586 20.821 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 206 8.981 -19.430 20.145 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 206 9.089 -20.310 20.524 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 206 9.890 -19.085 20.081 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 207 13.221 -26.229 20.698 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 207 13.783 -25.424 20.624 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 207 12.913 -26.394 19.778 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 208 11.668 -18.657 20.027 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 208 11.557 -18.123 19.198 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 208 11.630 -17.984 20.754 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 209 11.721 -23.024 24.272 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 209 11.127 -23.711 24.641 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 209 12.518 -23.529 23.987 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 210 9.617 -27.482 19.798 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 210 9.884 -27.012 20.621 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 210 9.655 -28.441 20.046 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 211 13.846 -21.484 21.742 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 211 13.800 -21.369 22.717 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 211 14.137 -20.608 21.412 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 212 13.942 -18.357 23.491 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 212 14.581 -18.007 24.124 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 212 13.728 -19.257 23.838 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 213 14.709 -23.922 20.904 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 213 15.337 -23.720 20.173 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 213 14.391 -23.036 21.194 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 214 10.212 -23.195 22.011 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 214 10.581 -22.553 21.369 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 214 10.702 -23.009 22.843 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 215 7.808 -24.102 21.214 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 215 7.184 -24.019 21.939 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 215 8.650 -23.743 21.577 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 216 9.243 -24.714 18.979 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 216 9.299 -25.677 19.077 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 216 8.590 -24.441 19.662 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 217 6.149 -20.265 17.658 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 217 6.291 -19.421 18.138 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 217 5.224 -20.472 17.812 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 218 12.182 -15.897 15.568 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 218 12.652 -16.581 15.031 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 218 12.823 -15.181 15.651 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 219 14.315 -18.975 20.768 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 219 14.278 -18.510 21.628 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 219 13.443 -18.791 20.360 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 220 13.554 -20.912 24.419 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 220 14.133 -21.112 25.191 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 220 12.797 -21.531 24.521 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 221 15.204 -21.471 26.567 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 221 15.396 -21.118 27.442 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 221 15.607 -22.346 26.567 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 222 15.802 -21.053 16.540 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 222 14.829 -21.183 16.524 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 222 15.966 -20.577 17.382 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 223 13.722 -24.624 23.396 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 223 14.218 -24.398 22.583 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 223 13.510 -25.556 23.291 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 224 7.140 -28.008 18.566 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 224 8.013 -27.862 18.982 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 224 6.527 -27.525 19.129 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 225 18.265 -0.880 -17.360 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 225 18.294 -0.364 -16.524 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 225 19.152 -0.741 -17.755 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 226 20.421 -9.290 -21.817 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 226 19.708 -8.644 -21.590 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 226 20.263 -9.496 -22.742 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 227 17.159 -5.414 -10.905 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 227 17.430 -6.310 -10.597 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 227 17.992 -4.885 -10.872 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 228 14.457 -2.271 -9.293 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 228 14.063 -2.123 -8.407 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 228 14.728 -3.214 -9.276 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 229 15.547 -5.493 -13.072 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 229 14.671 -5.244 -12.695 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 229 16.172 -5.384 -12.317 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 230 18.345 -2.103 -8.716 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 230 17.726 -1.435 -9.081 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 230 17.803 -2.592 -8.055 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 231 17.352 -7.978 -10.000 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 231 16.693 -8.183 -10.698 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 231 17.127 -8.595 -9.271 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 232 15.082 -4.941 -9.225 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 232 15.865 -5.065 -9.813 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 232 14.715 -5.850 -9.124 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 233 18.499 1.384 -9.354 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 233 17.688 0.846 -9.456 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 233 18.882 1.412 -10.253 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 234 16.291 -3.256 -14.638 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 234 16.121 -3.885 -13.917 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 234 16.646 -2.465 -14.191 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 235 16.371 -6.584 -15.561 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 235 16.135 -5.853 -16.165 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 235 16.043 -6.285 -14.687 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 236 13.386 -4.815 -11.501 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 236 12.571 -5.313 -11.332 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 236 13.795 -4.727 -10.624 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 237 12.714 -0.791 -4.789 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 237 12.477 -0.850 -3.856 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 237 12.561 0.133 -5.015 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 238 15.767 -4.190 -17.075 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 238 15.936 -3.879 -16.153 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 238 15.700 -3.355 -17.594 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 239 19.466 -3.318 -18.232 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 239 20.165 -2.646 -18.337 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 239 18.745 -2.836 -17.786 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 240 15.769 -5.459 -19.453 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 240 15.716 -5.094 -18.537 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 240 14.963 -5.144 -19.880 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 241 16.428 -0.411 -9.854 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 241 15.727 -1.005 -9.511 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 241 16.101 -0.143 -10.723 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 242 18.641 0.433 -14.990 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 242 18.791 1.340 -14.670 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 242 18.007 0.048 -14.343 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 243 17.245 -1.088 -13.132 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 243 16.433 -1.343 -12.636 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 243 17.976 -1.306 -12.526 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 244 20.886 -0.802 -18.185 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 244 21.739 -1.105 -18.569 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 244 20.960 0.182 -18.186 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 245 15.881 -1.766 -18.292 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 245 15.538 -1.002 -18.763 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 245 16.728 -1.448 -17.900 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 246 14.979 -1.989 -11.964 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 246 14.672 -2.094 -11.039 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 246 14.273 -2.382 -12.493 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 247 18.376 -4.951 -20.173 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 247 17.420 -5.093 -19.981 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 247 18.657 -4.288 -19.502 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 248 19.248 -3.733 -10.739 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 248 19.533 -3.000 -11.318 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 248 18.996 -3.288 -9.904 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 249 20.055 1.991 -7.176 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 249 19.534 1.797 -7.994 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 249 19.424 2.427 -6.595 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 250 20.828 -9.138 -2.716 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 250 20.325 -8.755 -1.990 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 250 20.851 -10.095 -2.512 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 251 20.272 -6.924 -5.146 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 251 20.532 -7.651 -4.556 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 251 19.402 -7.204 -5.502 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 252 16.389 -8.178 -19.545 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 252 16.503 -8.507 -18.634 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 252 16.039 -7.276 -19.433 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 253 17.898 -7.639 -6.394 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 253 17.129 -7.096 -6.187 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 253 17.520 -8.435 -6.839 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 254 11.372 -6.761 -10.054 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 254 10.509 -6.406 -10.290 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 254 11.163 -7.554 -9.504 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 255 10.763 -9.016 -8.557 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 255 10.200 -9.137 -7.785 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 255 11.161 -9.900 -8.703 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 256 13.985 -7.419 -9.643 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 256 13.051 -7.209 -9.863 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 256 14.380 -7.697 -10.503 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 257 24.242 -27.895 -4.877 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 257 25.141 -27.618 -5.136 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 257 23.729 -27.059 -4.866 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 258 22.756 -30.082 -4.207 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 258 23.237 -29.252 -4.444 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 258 23.426 -30.766 -4.275 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 259 21.212 -33.777 -3.043 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 259 22.048 -34.286 -2.988 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 259 20.567 -34.423 -3.376 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 260 20.025 -36.300 -3.323 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 260 19.890 -36.678 -2.426 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 260 20.959 -36.482 -3.519 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 261 30.019 -24.577 -8.790 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 261 30.624 -23.873 -9.112 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 261 29.725 -25.036 -9.616 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 262 20.136 -30.652 -4.310 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 262 20.202 -31.518 -4.733 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 262 21.080 -30.366 -4.205 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 263 28.014 -27.669 -2.923 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 263 27.509 -27.681 -3.762 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 263 28.289 -28.581 -2.798 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 264 19.723 -33.304 -0.825 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 264 20.381 -33.463 -1.542 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 264 19.941 -33.976 -0.146 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 265 19.578 -37.189 -0.773 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 265 19.490 -36.473 -0.107 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 265 18.754 -37.691 -0.694 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 266 18.854 -28.219 -4.178 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 266 19.323 -29.057 -4.380 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 266 19.365 -27.535 -4.660 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 267 26.837 -26.828 -5.248 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 267 26.827 -25.992 -4.754 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 267 27.548 -26.707 -5.905 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 268 31.300 -22.174 -9.563 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 268 31.717 -21.659 -8.835 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 268 30.623 -21.582 -9.912 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 269 20.016 -25.891 -5.243 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 269 19.590 -25.376 -4.523 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 269 19.604 -25.546 -6.063 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 270 22.722 -25.586 -4.776 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 270 21.800 -25.802 -5.032 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 270 22.649 -24.741 -4.321 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 271 29.176 -25.858 -11.037 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 271 28.267 -25.791 -11.408 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 271 29.673 -26.317 -11.718 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 272 17.818 -27.639 -7.513 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 272 18.017 -28.572 -7.623 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 272 16.911 -27.629 -7.138 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 273 29.352 -26.165 -6.617 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 273 29.509 -25.657 -7.446 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 273 29.962 -26.909 -6.678 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 274 20.670 -35.666 11.822 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 274 19.951 -35.393 11.234 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 274 20.703 -36.646 11.721 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 275 20.956 -37.139 7.655 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 275 21.055 -38.094 7.816 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 275 21.724 -36.735 8.122 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 276 23.258 -35.932 8.575 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 276 23.244 -35.259 7.856 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 276 23.925 -36.590 8.271 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 277 18.635 -35.635 7.863 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 277 19.423 -36.221 7.784 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 277 18.758 -34.982 7.162 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 278 24.838 -37.766 7.368 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 278 25.775 -37.971 7.330 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 278 24.396 -38.595 7.077 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 279 23.123 -34.621 11.002 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 279 23.287 -35.092 10.157 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 279 22.315 -35.042 11.354 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 280 20.759 -34.009 5.066 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 280 20.235 -33.664 4.312 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 280 20.809 -34.970 4.903 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 281 22.836 -39.919 11.878 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 281 23.580 -39.454 11.476 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 281 23.229 -40.711 12.261 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 282 21.348 -35.377 14.466 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 282 20.833 -36.142 14.784 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 282 21.215 -35.389 13.494 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 283 19.588 -37.312 15.461 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 283 18.830 -36.875 15.052 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 283 19.313 -38.251 15.529 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 284 27.601 -28.591 4.807 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 284 28.535 -28.415 4.649 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 284 27.436 -28.240 5.691 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 285 21.572 -36.693 5.018 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 285 22.526 -36.559 5.124 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 285 21.261 -36.915 5.925 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 286 25.008 -31.319 13.940 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 286 24.586 -31.551 14.798 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 286 25.943 -31.518 14.077 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 287 20.562 -38.385 11.611 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 287 21.375 -38.919 11.777 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 287 19.894 -38.769 12.218 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 288 18.141 -39.661 15.553 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 288 17.289 -39.168 15.647 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 288 18.146 -40.265 16.302 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 289 23.473 -40.019 6.684 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 289 23.527 -40.896 6.295 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 289 22.581 -39.987 7.089 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 290 23.880 -31.916 16.404 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 290 23.238 -32.636 16.213 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 290 24.027 -31.989 17.371 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 291 24.780 -32.364 5.435 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 291 25.641 -32.747 5.237 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 291 24.847 -31.442 5.111 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 292 15.764 -36.132 13.979 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 292 15.213 -36.603 13.319 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 292 15.910 -36.798 14.682 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 293 20.410 -37.415 2.671 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 293 20.361 -38.371 2.740 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 293 20.827 -37.134 3.517 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 294 23.106 -34.280 6.418 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 294 23.778 -33.639 6.098 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 294 22.343 -34.142 5.823 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 295 24.044 -32.103 11.420 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 295 23.775 -33.039 11.261 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 295 24.390 -32.107 12.331 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 296 24.543 -25.714 6.245 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 296 24.852 -24.865 6.634 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 296 24.394 -25.499 5.301 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 297 21.458 -31.394 1.773 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 297 22.070 -30.709 2.121 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 297 21.773 -31.558 0.877 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 298 19.879 -35.221 1.181 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 298 20.124 -36.019 1.708 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 298 19.816 -34.505 1.847 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 299 25.111 -29.721 4.668 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 299 24.969 -29.288 5.538 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 299 26.020 -29.444 4.416 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 300 23.275 -29.519 2.626 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 300 23.810 -29.057 1.971 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 300 23.875 -29.616 3.402 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 301 19.557 -33.003 2.778 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 301 20.335 -32.460 2.498 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 301 18.810 -32.572 2.350 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 302 24.314 -29.274 17.117 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 302 24.132 -30.170 16.770 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 302 24.846 -29.434 17.922 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 303 18.702 -33.588 18.249 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 303 18.382 -34.482 18.052 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 303 19.369 -33.726 18.964 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 304 22.961 -35.862 -2.898 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 304 22.809 -36.340 -2.047 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 304 23.837 -36.147 -3.174 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 305 20.575 -36.275 17.837 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 305 21.448 -36.661 17.967 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 305 20.267 -36.652 16.985 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 306 14.702 -33.776 15.192 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 306 14.808 -33.935 16.158 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 306 15.102 -34.567 14.775 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 307 22.325 -37.245 -0.667 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 307 22.572 -37.538 0.215 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 307 21.348 -37.325 -0.683 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 308 22.591 -25.629 2.030 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 308 23.217 -25.351 2.729 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 308 22.658 -24.917 1.355 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 309 18.415 -39.597 12.821 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 309 18.452 -40.514 12.461 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 309 18.313 -39.721 13.790 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 310 26.023 -30.210 19.158 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 310 26.819 -30.225 18.612 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 310 26.367 -30.107 20.077 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 311 32.348 -27.588 13.780 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 311 32.846 -27.431 14.584 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 311 32.967 -27.394 13.075 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 312 20.976 -28.550 17.902 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 312 21.891 -28.363 18.151 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 312 20.589 -28.967 18.698 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 313 23.036 -34.698 19.082 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 313 23.750 -35.206 19.481 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 313 23.402 -33.790 19.002 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 314 23.923 -32.051 19.162 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 314 24.664 -31.426 19.314 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 314 23.245 -31.787 19.824 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 315 20.630 -33.892 20.170 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 315 21.043 -33.150 20.645 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 315 21.385 -34.357 19.753 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 316 27.374 -30.098 21.542 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 316 27.305 -30.593 22.367 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 316 28.136 -29.522 21.674 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 317 21.948 -33.792 16.540 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 317 21.907 -34.424 17.282 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 317 21.747 -34.346 15.743 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 318 21.860 -31.402 20.937 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 318 21.108 -30.957 20.489 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 318 21.860 -31.029 21.827 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 319 18.438 -36.086 19.530 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 319 18.763 -35.681 20.344 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 319 19.250 -36.244 19.001 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 320 20.476 -31.721 17.500 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 320 21.176 -32.346 17.208 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 320 19.676 -32.286 17.579 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 321 19.681 -30.283 19.656 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 321 18.749 -30.488 19.816 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 321 19.898 -30.780 18.832 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 322 37.381 -11.492 -43.390 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 322 37.898 -12.144 -42.868 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 322 37.139 -11.981 -44.210 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 323 35.384 -13.928 -43.295 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 323 35.628 -13.582 -44.183 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 323 35.230 -13.123 -42.761 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 324 38.756 -13.354 -41.825 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 324 39.667 -13.572 -42.123 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 324 38.409 -14.209 -41.480 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 325 37.391 -8.647 -39.854 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 325 37.818 -9.525 -39.939 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 325 37.832 -8.241 -39.089 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 326 38.187 -15.774 -40.642 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 326 38.720 -16.519 -40.312 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 326 37.511 -15.632 -39.941 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 327 34.767 -9.240 -40.423 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 327 34.349 -8.374 -40.622 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 327 35.688 -9.008 -40.174 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 328 37.042 -8.892 -44.520 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 328 37.103 -9.804 -44.163 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 328 37.329 -8.981 -45.457 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 329 38.752 -11.107 -40.215 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 329 38.457 -11.952 -40.614 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 329 39.472 -10.811 -40.803 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 330 36.468 -15.267 -38.593 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 330 36.128 -15.535 -37.716 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 330 35.780 -14.661 -38.944 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 331 36.517 -12.866 -45.577 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 331 37.048 -13.552 -46.044 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 331 36.301 -12.211 -46.280 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 332 35.184 -11.615 -41.778 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 332 34.867 -10.770 -41.388 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 332 35.968 -11.355 -42.307 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 333 34.363 -15.819 -41.599 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 333 34.348 -16.628 -42.159 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 333 34.661 -15.116 -42.214 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 334 34.801 -17.889 -43.318 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 334 35.368 -18.640 -43.063 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 334 34.883 -17.852 -44.284 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 335 34.047 -6.553 -40.935 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 335 33.949 -6.050 -40.113 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 335 33.674 -5.957 -41.622 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 336 34.770 -13.566 -39.900 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 336 34.439 -14.352 -40.381 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 336 34.902 -12.894 -40.604 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 337 35.068 -14.690 -30.796 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 337 35.424 -13.804 -30.544 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 337 35.328 -15.261 -30.051 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 338 34.645 -10.090 -26.110 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 338 34.119 -9.821 -25.327 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 338 34.428 -11.040 -26.223 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 339 32.271 -12.362 -30.477 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 339 32.022 -12.150 -29.558 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 339 32.907 -13.084 -30.393 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 340 36.021 -15.927 -33.126 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 340 36.709 -16.556 -32.847 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 340 35.668 -15.566 -32.283 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 341 35.722 -15.135 -23.731 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 341 36.048 -16.048 -23.859 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 341 35.338 -14.899 -24.603 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 342 33.945 -17.492 -25.932 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 342 34.161 -16.541 -26.074 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 342 33.461 -17.745 -26.722 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 343 31.187 -9.734 -25.714 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 343 30.877 -8.819 -25.706 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 343 31.850 -9.766 -24.996 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 344 23.703 -11.342 -18.723 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 344 22.957 -10.764 -18.988 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 344 23.480 -12.218 -19.117 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 345 36.168 -11.517 -17.562 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 345 35.464 -11.304 -18.211 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 345 36.811 -10.776 -17.660 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 346 33.214 -9.729 -23.825 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 346 33.293 -8.826 -23.442 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 346 32.903 -10.287 -23.066 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 347 35.058 -8.286 -36.089 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 347 35.585 -7.780 -35.445 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 347 35.161 -9.214 -35.810 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 348 35.240 -18.302 -37.058 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 348 34.397 -18.665 -36.761 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 348 35.083 -18.079 -38.010 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 349 34.112 -7.796 -20.244 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 349 35.017 -8.094 -19.989 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 349 33.717 -7.506 -19.409 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 350 34.822 -14.936 -26.345 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 350 35.417 -15.063 -27.123 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 350 34.442 -14.041 -26.480 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 351 31.780 -11.129 -27.978 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 351 31.342 -10.733 -27.190 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 351 32.133 -10.354 -28.464 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 352 38.945 -20.310 -34.217 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 352 39.785 -20.466 -34.697 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 352 38.273 -20.244 -34.934 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 353 38.106 -13.949 -23.140 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 353 37.218 -14.352 -23.248 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 353 38.281 -14.011 -22.171 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 354 33.443 -12.567 -26.393 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 354 32.850 -12.160 -27.066 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 354 32.859 -12.757 -25.649 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 355 34.988 -13.612 -34.627 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 355 35.041 -14.121 -33.803 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 355 35.262 -14.249 -35.314 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 356 35.823 -11.020 -23.328 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 356 34.958 -10.782 -23.696 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 356 36.327 -11.375 -24.100 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 357 35.960 -15.897 -35.935 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 357 35.759 -16.810 -36.232 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 357 36.071 -15.982 -34.962 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 358 35.475 -10.214 -28.797 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 358 35.735 -11.107 -29.153 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 358 35.307 -10.377 -27.849 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 359 23.206 -13.810 -19.756 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 359 23.386 -14.626 -19.230 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 359 23.665 -13.974 -20.610 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 360 31.507 -10.239 -18.080 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 360 31.990 -10.697 -17.368 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 360 31.344 -10.940 -18.741 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 361 34.711 -11.221 -38.223 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 361 34.693 -12.046 -38.746 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 361 34.644 -10.513 -38.891 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 362 34.838 -17.828 -39.688 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 362 35.624 -18.221 -40.104 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 362 34.613 -17.071 -40.268 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 363 37.453 -12.124 -25.204 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 363 37.769 -12.726 -24.503 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 363 38.034 -12.320 -25.965 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 364 33.633 -13.684 -19.080 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 364 34.222 -13.411 -19.814 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 364 34.184 -13.582 -18.278 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 365 38.112 -18.154 -32.612 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 365 38.045 -18.636 -31.773 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 365 38.295 -18.855 -33.275 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 366 39.848 -21.915 -32.132 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 366 39.552 -21.384 -31.362 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 366 39.446 -21.461 -32.902 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 367 39.359 -13.290 -26.892 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 367 40.214 -13.632 -27.196 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 367 38.796 -13.302 -27.706 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 368 37.515 -19.873 -36.472 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 368 36.754 -19.307 -36.711 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 368 38.185 -19.674 -37.145 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 369 39.502 -19.829 -30.397 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 369 39.443 -19.182 -29.666 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 369 40.207 -19.475 -30.966 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 370 34.456 -8.175 -31.810 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 370 34.623 -9.104 -32.080 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 370 33.489 -8.128 -31.699 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 371 32.379 -5.461 -20.003 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 371 31.978 -6.239 -20.406 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 371 33.229 -5.357 -20.478 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 372 33.455 -7.143 -22.813 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 372 33.687 -7.501 -21.925 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 372 33.823 -6.242 -22.803 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 373 33.067 -8.847 -28.926 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 373 33.347 -8.220 -28.230 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 373 33.886 -9.341 -29.142 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 374 32.240 -10.335 -32.319 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 374 33.147 -10.535 -32.618 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 374 32.026 -11.074 -31.706 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 375 34.921 -10.721 -32.754 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 375 35.395 -11.476 -32.373 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 375 35.008 -10.846 -33.725 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 376 34.777 -13.096 -21.748 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 376 35.320 -12.355 -22.090 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 376 35.039 -13.857 -22.297 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 377 27.523 -16.134 -11.732 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 377 28.286 -16.709 -11.993 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 377 26.834 -16.773 -11.454 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 378 29.737 -15.154 -8.761 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 378 29.403 -15.645 -8.004 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 378 30.448 -15.718 -9.117 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 379 20.956 -21.681 -14.638 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 379 20.195 -21.149 -14.311 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 379 20.555 -22.331 -15.225 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 380 25.995 -18.340 -11.200 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 380 26.498 -19.137 -11.491 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 380 25.889 -18.468 -10.231 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 381 21.017 -18.547 -12.629 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 381 21.436 -19.065 -11.895 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 381 20.248 -19.099 -12.901 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 382 20.687 -20.228 -8.559 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 382 20.128 -21.002 -8.334 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 382 21.225 -20.077 -7.754 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 383 36.728 -18.567 -7.692 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 383 37.294 -17.926 -7.217 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 383 36.726 -19.357 -7.107 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 384 28.098 -13.716 -16.438 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 384 27.290 -13.233 -16.716 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 384 27.851 -14.111 -15.573 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 385 20.807 -14.323 -13.174 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 385 20.329 -13.645 -13.709 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 385 21.405 -13.795 -12.605 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 386 32.079 -18.290 -12.001 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 386 32.166 -17.783 -11.170 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 386 32.504 -19.157 -11.797 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 387 28.549 -22.911 -7.170 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 387 28.851 -23.217 -6.291 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 387 29.086 -23.436 -7.801 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 388 27.037 -14.684 -14.088 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 388 26.070 -14.832 -14.129 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 388 27.334 -15.263 -13.362 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 389 31.909 -16.748 -9.701 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 389 32.079 -17.374 -8.964 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 389 32.471 -15.969 -9.479 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 390 32.411 -18.444 -18.630 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 390 31.913 -18.530 -19.446 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 390 32.337 -17.486 -18.402 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 391 27.443 -12.239 -8.839 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 391 27.665 -11.285 -8.914 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 391 26.813 -12.278 -8.111 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 392 24.233 -8.566 -6.832 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 392 23.334 -8.936 -6.963 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 392 24.460 -8.802 -5.925 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 393 25.021 -18.194 -13.734 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 393 25.296 -18.250 -12.789 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 393 24.306 -18.858 -13.816 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 394 38.400 -8.149 -16.029 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 394 39.047 -7.555 -16.444 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 394 38.302 -8.882 -16.678 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 395 33.295 -7.575 -16.591 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 395 33.403 -8.384 -16.046 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 395 34.210 -7.258 -16.727 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 396 33.857 -17.599 -1.738 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 396 34.439 -17.013 -1.208 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 396 33.226 -16.973 -2.179 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 397 29.532 -24.054 -4.832 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 397 29.608 -24.862 -5.381 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 397 28.894 -24.306 -4.126 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 398 32.800 -17.839 -7.352 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 398 32.367 -17.761 -6.471 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 398 33.633 -17.356 -7.250 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 399 24.642 -21.845 -14.258 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 399 23.974 -21.140 -14.274 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 399 25.444 -21.420 -14.631 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 400 29.403 -20.034 -14.319 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 400 30.332 -19.807 -14.428 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 400 29.367 -21.001 -14.518 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 401 26.816 -20.739 -12.083 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 401 26.908 -20.595 -13.047 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 401 26.727 -21.707 -11.997 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 402 22.425 -24.033 -12.973 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 402 21.706 -23.596 -12.504 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 402 22.740 -23.365 -13.600 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 403 26.787 -25.621 -12.340 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 403 26.465 -24.706 -12.173 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 403 25.964 -26.127 -12.519 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 404 22.807 -19.695 -14.363 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 404 22.242 -20.455 -14.634 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 404 22.243 -19.196 -13.737 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 405 29.444 -22.611 -15.133 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 405 28.871 -23.367 -14.864 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 405 29.871 -22.918 -15.935 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 406 30.708 -20.309 -5.594 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 406 30.858 -19.383 -5.314 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 406 31.165 -20.375 -6.458 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 407 25.320 -15.689 -1.874 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 407 25.652 -16.541 -2.223 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 407 24.382 -15.871 -1.656 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 408 24.672 -21.303 -10.206 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 408 25.116 -21.671 -9.412 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 408 25.369 -20.788 -10.649 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 409 22.944 -16.975 -15.887 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 409 23.157 -17.847 -15.512 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 409 23.398 -16.342 -15.293 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 410 29.672 -14.423 -18.504 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 410 29.012 -14.994 -18.908 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 410 29.232 -14.096 -17.679 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 411 34.133 -19.926 -17.175 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 411 33.602 -20.723 -17.214 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 411 33.624 -19.272 -17.709 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 412 22.516 -16.203 -12.079 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 412 21.847 -15.578 -12.425 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 412 22.070 -17.070 -12.107 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 413 31.235 -12.503 -19.667 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 413 30.573 -13.134 -19.305 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 413 32.101 -12.908 -19.434 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 414 32.075 -15.796 -18.293 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 414 31.225 -15.316 -18.247 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 414 32.715 -15.118 -18.598 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 415 24.592 -14.549 -22.034 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 415 24.359 -15.310 -22.574 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 415 25.252 -14.080 -22.554 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 416 23.500 -16.179 -18.472 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 416 23.208 -16.968 -18.936 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 416 23.399 -16.408 -17.524 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 417 26.712 -20.094 -14.778 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 417 27.677 -19.915 -14.817 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 417 26.309 -19.212 -14.650 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 418 27.505 -8.176 -19.968 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 418 26.994 -9.021 -19.955 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 418 26.929 -7.557 -20.458 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 419 27.875 -24.789 -14.734 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 419 27.610 -25.127 -13.854 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 419 27.162 -25.065 -15.317 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 420 25.626 -12.634 -17.027 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 420 25.049 -13.171 -16.473 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 420 25.012 -12.083 -17.550 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 421 32.412 -20.534 -7.716 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 421 32.652 -19.590 -7.827 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 421 33.133 -20.900 -7.156 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 422 29.316 -18.046 -12.381 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 422 29.134 -18.795 -12.982 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 422 30.283 -18.077 -12.251 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 423 20.872 -13.504 -18.203 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 423 20.773 -14.388 -17.771 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 423 21.598 -13.633 -18.847 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 424 18.934 -25.210 -7.710 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 424 19.536 -25.355 -8.451 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 424 18.448 -26.068 -7.624 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 425 19.658 -11.833 -7.686 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 425 18.800 -12.108 -8.046 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 425 19.706 -12.280 -6.816 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 426 26.469 -9.140 -4.394 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 426 26.816 -8.781 -3.553 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 426 26.051 -9.969 -4.141 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 427 34.553 -10.712 -19.593 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 427 35.228 -10.000 -19.495 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 427 33.873 -10.317 -20.153 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 428 23.311 -18.667 -1.703 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 428 22.936 -17.767 -1.605 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 428 24.167 -18.521 -2.138 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 429 32.537 -11.409 -21.834 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 429 33.283 -12.034 -21.713 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 429 31.886 -11.684 -21.155 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 430 24.440 -15.583 -13.955 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 430 23.833 -15.577 -13.187 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 430 24.831 -16.487 -13.941 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 431 31.755 -17.869 -4.816 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 431 32.425 -18.472 -4.427 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 431 31.730 -17.106 -4.189 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 432 36.514 -15.039 -18.081 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 432 37.071 -15.799 -17.878 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 432 36.739 -14.817 -18.995 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 433 33.626 -19.508 -3.686 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 433 33.325 -20.175 -3.030 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 433 33.943 -18.760 -3.133 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 434 27.651 -24.995 -3.086 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 434 27.015 -24.752 -2.404 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 434 27.890 -25.929 -2.871 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 435 31.738 -22.370 -4.181 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 435 31.343 -21.594 -4.641 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 435 31.114 -23.098 -4.370 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 436 26.808 -21.643 -0.081 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 436 26.384 -20.759 0.000 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 436 26.551 -21.948 -0.958 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 437 25.159 -22.496 2.010 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 437 25.890 -22.312 1.385 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 437 24.715 -21.621 2.120 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 438 18.217 -12.826 -18.153 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 438 19.169 -13.079 -18.137 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 438 18.087 -12.456 -19.034 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 439 32.478 -12.026 -16.003 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 439 31.793 -12.638 -15.708 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 439 33.272 -12.595 -16.129 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 440 36.489 -13.931 -13.013 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 440 36.565 -14.373 -12.140 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 440 36.178 -14.624 -13.602 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 441 34.784 -13.564 -16.488 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 441 35.351 -14.268 -16.868 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 441 35.314 -12.744 -16.609 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 442 31.914 -16.411 -14.017 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 442 32.155 -17.182 -13.464 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 442 32.309 -16.599 -14.874 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 443 35.726 -16.105 -3.761 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 443 34.931 -15.573 -3.532 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 443 36.385 -15.850 -3.088 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 444 33.212 -20.552 -11.010 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 444 32.760 -21.318 -10.617 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 444 34.040 -20.465 -10.485 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 445 30.836 -15.214 -11.806 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 445 31.124 -15.494 -12.706 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 445 31.214 -15.889 -11.217 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 446 22.253 -20.077 -10.803 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 446 23.108 -20.512 -10.597 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 446 21.726 -20.183 -9.983 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 447 18.486 -19.101 -9.881 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 447 19.329 -19.360 -9.452 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 447 18.525 -18.136 -9.919 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 448 16.173 -27.781 -3.930 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 448 15.858 -28.474 -3.325 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 448 17.141 -27.954 -4.012 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 449 24.049 -13.626 -3.323 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 449 24.638 -14.363 -3.078 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 449 23.233 -14.058 -3.629 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 450 26.100 -22.714 -8.299 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 450 27.002 -22.652 -7.907 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 450 26.091 -23.576 -8.733 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 451 24.179 -26.181 -12.954 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 451 23.641 -25.361 -12.909 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 451 23.567 -26.845 -13.276 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 452 25.581 -23.202 -12.065 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 452 25.221 -22.900 -12.930 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 452 24.981 -22.803 -11.408 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 453 21.466 -11.409 -16.482 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 453 21.267 -12.157 -17.086 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 453 21.983 -10.799 -17.024 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 454 15.079 -22.903 4.147 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 454 14.883 -22.530 5.037 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 454 15.534 -22.175 3.683 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 455 25.281 -23.218 7.237 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 455 25.556 -22.468 6.698 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 455 26.017 -23.330 7.890 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 456 22.750 -25.633 10.446 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 456 23.171 -24.761 10.309 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 456 21.789 -25.453 10.343 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 457 23.603 -23.149 9.461 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 457 24.175 -22.690 10.118 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 457 24.153 -23.185 8.649 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 458 27.967 -26.105 9.600 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 458 27.273 -26.792 9.617 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 458 28.767 -26.570 9.862 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 459 28.666 -14.110 4.211 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 459 29.451 -14.346 3.703 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 459 28.621 -14.775 4.903 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 460 26.334 -14.278 0.228 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 460 26.025 -14.726 -0.589 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 460 27.241 -14.616 0.355 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 461 28.698 -18.077 -2.171 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 461 29.537 -17.668 -2.414 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 461 28.948 -18.774 -1.527 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 462 35.298 -15.456 3.069 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 462 36.011 -16.104 2.910 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 462 35.740 -14.599 2.994 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 463 30.375 -12.734 1.081 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 463 31.135 -12.319 1.546 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 463 30.783 -13.450 0.547 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 464 35.170 -12.098 0.848 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 464 35.780 -11.493 0.382 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 464 35.748 -12.831 1.145 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 465 28.271 -11.449 4.704 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 465 27.437 -11.263 4.266 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 465 28.428 -12.402 4.527 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 466 28.912 -6.807 -0.292 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 466 29.032 -5.964 0.212 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 466 29.755 -7.294 -0.142 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 467 30.738 -10.273 4.945 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 467 29.839 -10.671 4.973 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 467 30.797 -9.883 4.049 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 468 23.389 -29.820 10.215 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 468 23.541 -30.757 10.496 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 468 23.867 -29.294 10.891 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 469 26.079 -28.205 9.738 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 469 26.354 -29.108 9.946 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 469 25.546 -27.938 10.507 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 470 29.057 -19.926 -0.154 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 470 28.777 -19.250 0.494 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 470 28.431 -20.661 -0.020 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 471 22.801 -20.784 12.309 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 471 21.921 -21.222 12.252 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 471 22.601 -19.899 12.628 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 472 20.299 -21.860 11.940 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 472 20.380 -22.089 10.994 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 472 19.610 -22.450 12.269 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 473 26.028 -18.230 -2.590 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 473 27.000 -18.057 -2.491 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 473 25.990 -19.047 -3.138 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 474 21.177 -28.405 9.504 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 474 21.576 -27.707 8.938 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 474 21.942 -28.949 9.782 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 475 21.137 -27.803 2.748 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 475 21.595 -26.960 2.529 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 475 21.855 -28.466 2.756 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 476 27.959 -17.777 1.326 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 476 28.299 -16.908 1.011 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 476 27.766 -17.628 2.258 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 477 22.463 -21.287 -1.321 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 477 22.313 -21.607 -2.231 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 477 22.751 -20.355 -1.439 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 478 24.681 -24.742 3.589 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 478 24.768 -23.854 3.172 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 478 25.490 -25.198 3.338 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 479 25.152 -21.906 11.381 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 479 24.310 -21.561 11.762 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 479 25.834 -21.380 11.808 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 480 24.524 -12.922 1.658 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 480 24.645 -12.018 1.294 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 480 25.264 -13.441 1.259 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 481 32.757 -21.343 -1.825 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 481 32.452 -21.882 -2.590 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 481 31.986 -21.303 -1.243 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 482 31.307 -14.943 -0.314 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 482 31.638 -15.320 -1.156 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 482 31.886 -15.344 0.376 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 483 28.854 -15.177 0.833 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 483 28.965 -14.298 1.239 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 483 29.654 -15.279 0.270 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 484 34.682 -19.838 -0.424 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 484 34.166 -20.573 -0.812 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 484 34.420 -19.055 -0.962 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 485 33.406 -12.028 -1.357 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 485 33.458 -12.865 -1.869 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 485 33.979 -12.191 -0.577 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 486 19.218 -20.100 -1.005 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 486 20.107 -19.950 -0.663 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 486 18.630 -19.679 -0.339 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 487 34.707 -9.600 -1.879 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 487 34.094 -10.326 -1.643 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 487 35.583 -9.918 -1.561 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 488 17.918 -24.500 11.776 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 488 17.589 -25.286 12.247 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 488 17.216 -23.834 11.906 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 489 32.776 -15.897 1.827 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 489 33.109 -16.816 1.763 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 489 33.404 -15.463 2.434 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 490 27.302 -10.164 0.462 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 490 28.025 -10.796 0.575 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 490 27.486 -9.738 -0.400 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 491 22.973 -13.297 -0.854 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 491 23.585 -13.029 -0.146 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 491 23.503 -13.206 -1.679 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 492 24.022 -20.059 1.760 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 492 23.156 -19.751 1.475 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 492 24.647 -19.615 1.149 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 493 22.112 -13.272 2.785 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 493 23.032 -13.260 2.418 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 493 22.235 -13.448 3.723 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 494 21.784 -11.064 1.135 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 494 22.711 -10.783 1.017 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 494 21.836 -11.793 1.783 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 495 23.009 -23.420 0.413 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 495 22.757 -22.678 -0.179 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 495 23.769 -23.074 0.915 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 496 25.115 -28.353 7.078 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 496 25.445 -28.244 7.994 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 496 24.883 -27.440 6.799 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 497 22.616 -15.963 -1.623 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 497 22.583 -15.145 -1.085 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 497 22.076 -15.746 -2.413 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 498 25.935 -19.094 0.034 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 498 25.852 -18.710 -0.862 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 498 26.619 -18.540 0.469 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 499 21.060 -26.938 12.389 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 499 20.429 -27.011 11.653 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 499 21.793 -26.411 12.020 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 500 22.653 -26.747 7.945 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 500 22.854 -26.292 8.789 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 500 23.213 -26.287 7.286 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 501 24.685 -28.869 12.395 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 501 24.854 -29.742 12.804 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 501 24.743 -28.240 13.149 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 502 17.631 -25.025 16.197 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 502 18.269 -24.803 16.887 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 502 18.160 -25.514 15.530 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 503 24.694 -27.717 14.887 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 503 25.031 -26.872 15.202 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 503 24.578 -28.249 15.706 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 504 18.884 -28.677 16.160 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 504 19.583 -28.509 16.828 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 504 18.929 -27.898 15.566 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 505 24.521 -10.568 0.348 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 505 24.142 -9.947 -0.321 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 505 25.474 -10.343 0.368 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 506 21.208 -14.569 -3.560 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 506 20.777 -14.243 -4.371 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 506 20.528 -14.446 -2.865 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 507 32.640 -11.434 2.035 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 507 33.520 -11.567 1.630 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 507 32.773 -11.685 2.981 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 508 32.829 -11.981 4.667 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 508 32.106 -11.366 4.930 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 508 33.233 -12.237 5.499 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 509 35.357 -16.216 0.072 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 509 35.077 -16.868 0.748 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 509 35.284 -15.362 0.525 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 510 38.574 -20.940 -0.989 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 510 39.091 -20.984 -1.830 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 510 38.431 -21.863 -0.755 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 511 34.052 -21.284 -5.690 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 511 33.980 -20.577 -5.009 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 511 33.521 -22.014 -5.328 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 512 34.233 -18.218 1.715 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 512 34.569 -18.652 2.507 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 512 34.304 -18.904 1.017 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 513 16.410 -22.992 14.690 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 513 16.821 -23.720 15.199 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 513 16.335 -22.260 15.336 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 514 20.076 -25.092 10.196 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 514 20.234 -24.228 9.764 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 514 19.304 -24.926 10.782 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 515 20.897 -22.628 9.247 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 515 20.835 -22.218 8.378 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 515 21.861 -22.801 9.363 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 516 18.730 -27.931 8.379 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 516 19.511 -28.258 8.879 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 516 18.810 -26.971 8.431 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 517 27.025 -23.542 9.242 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 517 26.804 -23.271 10.143 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 517 27.432 -24.431 9.350 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 518 27.199 -8.406 -1.755 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 518 27.894 -7.879 -1.303 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 518 26.392 -7.877 -1.637 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 519 31.109 -10.723 -0.667 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 519 31.911 -11.214 -0.944 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 519 30.624 -11.358 -0.107 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 520 20.841 -11.609 -1.365 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 520 21.582 -12.246 -1.451 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 520 20.989 -11.196 -0.485 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 521 19.092 -26.580 14.394 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 521 18.309 -26.620 13.805 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 521 19.857 -26.592 13.775 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 522 16.220 -20.117 19.124 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 522 17.009 -19.616 19.363 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 522 15.509 -19.724 19.684 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 523 16.195 -22.881 18.899 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 523 16.352 -22.941 17.949 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 523 16.239 -21.921 19.088 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 524 15.713 -27.119 16.510 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 524 16.269 -26.322 16.413 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 524 15.950 -27.469 17.392 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 525 16.403 -28.307 18.930 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 525 15.731 -28.448 19.638 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 525 17.160 -27.934 19.397 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 526 36.079 -3.689 -44.758 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 526 35.240 -3.299 -44.424 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 526 35.988 -4.646 -44.573 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 527 33.116 -4.482 -42.442 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 527 33.282 -3.727 -43.039 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 527 33.052 -4.079 -41.557 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 528 36.271 5.976 -41.505 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 528 36.669 6.746 -41.944 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 528 36.629 5.213 -42.001 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 529 35.402 2.007 -47.193 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 529 35.555 2.950 -47.286 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 529 36.265 1.652 -46.898 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 530 34.699 0.937 -43.342 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 530 34.580 1.896 -43.474 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 530 34.625 0.560 -44.245 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 531 39.465 5.546 -41.504 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 531 39.189 5.807 -40.593 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 531 38.984 6.170 -42.085 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 532 34.619 -1.210 -41.433 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 532 35.129 -2.050 -41.495 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 532 35.094 -0.593 -42.022 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 533 33.872 -2.203 -43.971 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 533 33.814 -1.567 -44.714 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 533 33.791 -1.646 -43.177 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 534 38.192 7.215 -43.340 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 534 38.602 6.590 -43.983 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 534 38.444 8.085 -43.665 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 535 37.097 4.152 -43.474 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 535 37.386 3.218 -43.573 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 535 37.815 4.666 -43.899 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 536 35.870 -3.656 -41.268 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 536 35.986 -4.618 -41.375 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 536 36.284 -3.463 -40.393 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 537 34.430 -0.190 -45.848 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 537 35.176 -0.751 -46.152 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 537 34.450 0.580 -46.454 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 538 34.408 3.752 -43.338 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 538 35.378 3.924 -43.381 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 538 34.009 4.595 -43.577 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 539 31.266 1.110 -36.333 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 539 31.614 1.052 -37.247 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 539 30.628 0.367 -36.273 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 540 33.542 -1.240 -38.922 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 540 33.952 -1.131 -39.809 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 540 33.199 -0.346 -38.709 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 541 33.748 2.394 -41.036 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 541 33.765 2.995 -41.808 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 541 34.019 1.535 -41.405 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 542 33.121 -3.943 -39.489 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 542 32.995 -4.185 -38.561 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 542 33.256 -2.976 -39.464 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 543 35.050 4.394 -39.569 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 543 35.496 4.900 -40.276 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 543 34.600 3.668 -40.039 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 544 38.214 0.356 -49.069 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 544 37.665 0.997 -49.537 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 544 38.120 0.603 -48.125 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 545 39.321 5.264 -44.850 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 545 39.308 4.580 -45.558 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 545 40.278 5.373 -44.646 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 546 36.660 -1.638 -46.509 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 546 36.826 -2.011 -47.405 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 546 36.548 -2.430 -45.936 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 547 37.996 -3.127 -42.866 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 547 37.528 -3.118 -43.721 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 547 37.288 -3.274 -42.212 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 548 38.998 -7.509 -43.134 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 548 38.321 -8.015 -43.626 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 548 38.485 -7.016 -42.467 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 549 35.785 -6.445 -44.010 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 549 36.163 -7.302 -44.309 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 549 34.855 -6.643 -43.838 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 550 36.171 -10.901 -47.449 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 550 35.902 -10.748 -48.360 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 550 36.846 -10.210 -47.279 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 551 37.117 -6.224 -41.573 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 551 36.516 -6.341 -42.338 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 551 36.894 -6.963 -40.976 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 552 34.504 0.694 -30.110 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 552 34.195 1.611 -29.946 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 552 35.336 0.630 -29.584 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 553 36.744 0.541 -28.567 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 553 37.295 1.228 -28.132 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 553 37.395 -0.049 -28.995 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 554 34.470 -1.984 -29.543 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 554 33.595 -2.374 -29.670 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 554 34.344 -1.033 -29.759 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 555 36.833 -2.895 -30.603 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 555 35.989 -2.493 -30.306 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 555 37.500 -2.197 -30.441 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 556 36.136 -5.628 -25.530 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 556 36.040 -4.683 -25.726 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 556 36.376 -5.652 -24.576 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 557 31.083 2.687 -23.719 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 557 30.581 2.045 -24.256 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 557 31.756 3.045 -24.338 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 558 33.705 -4.952 -27.597 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 558 33.887 -5.880 -27.335 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 558 33.097 -5.037 -28.366 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 559 29.161 1.184 -25.034 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 559 28.839 0.432 -25.580 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 559 28.721 1.954 -25.414 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 560 33.070 3.929 -25.176 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 560 33.049 4.881 -24.947 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 560 33.768 3.862 -25.864 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 561 34.532 -7.467 -26.899 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 561 34.646 -8.387 -26.579 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 561 35.091 -6.931 -26.295 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 562 36.465 3.926 -34.351 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 562 35.623 3.583 -33.997 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 562 36.278 4.084 -35.296 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 563 34.965 2.920 -23.377 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 563 35.799 3.073 -23.854 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 563 34.271 3.101 -24.041 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 564 30.180 -1.386 -36.033 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 564 31.021 -1.497 -35.546 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 564 29.803 -2.269 -36.060 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 565 37.304 -0.792 -23.167 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 565 37.362 -0.630 -24.134 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 565 37.911 -0.129 -22.778 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 566 34.232 0.544 -32.851 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 566 34.299 0.521 -31.873 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 566 34.891 -0.119 -33.151 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 567 32.649 -2.656 -22.348 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 567 33.299 -1.912 -22.397 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 567 32.457 -2.868 -23.286 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 568 26.393 4.129 -20.515 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 568 27.339 4.151 -20.792 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 568 26.277 3.239 -20.124 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 569 32.671 -0.978 -34.919 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 569 33.375 -0.829 -34.264 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 569 32.366 -0.080 -35.148 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 570 25.570 -2.023 -26.656 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 570 25.614 -2.648 -25.903 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 570 24.679 -2.133 -27.003 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 571 23.759 4.715 -19.969 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 571 23.379 4.303 -20.766 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 571 24.725 4.666 -20.111 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 572 34.767 -11.030 -35.491 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 572 34.663 -11.057 -36.474 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 572 34.744 -11.978 -35.224 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 573 36.088 7.571 -38.873 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 573 35.834 7.051 -39.655 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 573 35.244 7.962 -38.560 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 574 36.004 6.255 -24.470 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 574 36.721 6.456 -25.100 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 574 36.253 5.393 -24.099 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 575 28.005 5.164 -24.086 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 575 27.971 5.931 -24.664 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 575 27.070 4.907 -23.968 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 576 36.718 -3.132 -21.769 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 576 36.929 -2.293 -22.232 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 576 37.092 -3.821 -22.340 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 577 27.876 -0.547 -26.775 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 577 27.013 -1.004 -26.646 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 577 28.018 -0.581 -27.725 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 578 28.081 -6.929 -26.688 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 578 27.763 -7.742 -27.089 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 578 27.333 -6.633 -26.121 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 579 31.875 -6.351 -25.031 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 579 32.022 -5.389 -24.921 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 579 32.400 -6.753 -24.314 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 580 32.837 1.444 -38.563 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 580 33.020 1.874 -39.424 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 580 33.216 2.059 -37.905 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 581 33.485 -2.970 -36.662 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 581 33.203 -2.349 -35.957 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 581 33.663 -2.391 -37.429 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 582 30.557 -6.892 -33.600 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 582 31.278 -7.248 -34.161 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 582 30.850 -7.079 -32.692 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 583 25.906 -3.610 -24.402 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 583 25.421 -3.636 -23.546 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 583 26.788 -3.295 -24.165 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 584 32.453 -3.622 -24.936 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 584 33.117 -3.579 -25.638 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 584 31.609 -3.386 -25.391 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 585 32.010 -5.593 -29.606 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 585 31.320 -5.737 -28.922 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 585 31.811 -6.260 -30.290 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 586 25.567 4.102 -23.152 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 586 25.681 3.132 -23.170 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 586 25.846 4.356 -22.247 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 587 37.512 -0.203 -25.866 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 587 38.049 0.598 -26.009 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 587 36.776 -0.108 -26.493 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 588 33.932 -5.242 -34.926 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 588 33.151 -5.771 -35.138 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 588 33.872 -4.475 -35.528 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 589 31.240 6.666 -22.454 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 589 31.871 6.657 -23.197 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 589 31.380 5.801 -22.012 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 590 35.831 -6.809 -33.726 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 590 35.190 -6.175 -34.122 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 590 35.321 -7.256 -33.020 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 591 40.095 4.437 -22.916 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 591 40.045 3.725 -23.599 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 591 39.297 4.287 -22.361 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 592 35.419 4.518 -36.867 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 592 34.590 4.050 -36.627 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 592 35.408 4.527 -37.853 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 593 33.185 3.048 -36.154 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 593 32.375 2.494 -36.134 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 593 33.422 3.156 -35.208 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 594 33.919 3.140 -33.489 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 594 34.035 2.172 -33.330 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 594 33.598 3.480 -32.646 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 595 30.476 -5.929 -27.361 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 595 30.988 -6.178 -26.558 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 595 29.575 -6.293 -27.192 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 596 28.440 -8.007 -34.996 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 596 29.001 -7.446 -34.425 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 596 29.051 -8.636 -35.379 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 597 30.294 -3.321 -26.522 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 597 29.436 -2.979 -26.788 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 597 30.352 -4.197 -26.961 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 598 36.694 -5.717 -22.874 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 598 35.920 -5.507 -22.318 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 598 36.714 -6.702 -22.894 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 599 38.722 -1.124 -29.481 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 599 39.555 -0.613 -29.509 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 599 38.795 -1.664 -28.659 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 600 34.339 3.308 -29.299 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 600 35.068 3.936 -29.453 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 600 34.335 3.186 -28.335 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 601 25.154 7.531 -17.881 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 601 25.768 8.020 -17.303 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 601 25.530 7.636 -18.765 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 602 31.688 4.126 -21.529 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 602 32.408 3.663 -21.055 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 602 31.504 3.547 -22.308 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 603 22.084 0.757 -21.236 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 603 21.427 1.482 -21.209 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 603 22.020 0.351 -20.359 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 604 34.043 2.659 -20.862 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 604 34.327 2.606 -21.806 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 604 34.285 1.792 -20.493 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 605 23.104 -1.654 -19.511 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 605 23.663 -1.364 -20.257 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 605 23.085 -2.628 -19.590 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 606 24.193 -0.865 -21.950 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 606 23.351 -0.359 -21.915 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 606 24.855 -0.201 -22.234 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 607 24.707 -3.588 -21.930 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 607 24.046 -3.942 -21.299 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 607 24.513 -2.622 -21.965 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 608 26.071 -5.865 -20.667 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 608 25.285 -5.883 -20.112 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 608 25.960 -5.065 -21.210 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 609 25.701 1.465 -22.309 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 609 25.586 1.586 -21.341 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 609 26.670 1.326 -22.418 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 610 31.745 -2.841 -19.761 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 610 31.991 -2.637 -20.691 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 610 31.892 -3.808 -19.686 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 611 34.638 -0.794 -22.303 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 611 35.516 -0.779 -22.728 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 611 34.807 -0.454 -21.402 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 612 25.870 -6.231 -25.243 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 612 25.887 -5.282 -25.000 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 612 25.108 -6.582 -24.774 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 613 18.458 -7.577 -21.163 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 613 17.701 -7.967 -20.665 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 613 18.379 -6.622 -21.001 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 614 26.131 -10.541 -19.799 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 614 26.622 -11.335 -19.560 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 614 25.235 -10.697 -19.439 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 615 36.633 4.841 -28.793 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 615 36.995 5.749 -28.708 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 615 37.384 4.316 -29.152 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 616 33.306 6.632 -24.466 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 616 33.204 7.485 -24.899 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 616 34.283 6.517 -24.391 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 617 38.960 1.152 -21.960 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 617 39.727 1.274 -22.569 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 617 38.562 2.045 -21.897 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 618 38.547 2.104 -27.219 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 618 38.870 2.719 -27.896 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 618 39.048 2.352 -26.407 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 619 35.344 3.678 -26.643 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 619 35.791 4.158 -27.373 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 619 36.052 3.540 -25.983 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 620 35.709 -2.086 -18.153 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 620 34.784 -2.234 -17.929 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 620 36.080 -2.994 -18.249 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 621 36.685 -4.640 -18.221 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 621 36.390 -5.430 -17.719 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 621 37.253 -4.998 -18.911 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 622 38.324 -2.525 -27.185 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 622 38.274 -1.818 -26.513 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 622 37.412 -2.889 -27.213 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 623 35.700 -3.207 -27.352 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 623 35.010 -3.909 -27.395 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 623 35.388 -2.536 -27.993 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 624 20.684 -4.440 -21.564 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 624 19.820 -4.623 -21.138 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 624 20.458 -4.229 -22.475 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 625 20.624 3.116 -20.965 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 625 19.929 3.726 -21.235 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 625 21.412 3.406 -21.477 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 626 27.520 9.094 -19.372 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 626 28.219 8.620 -19.882 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 626 27.282 9.835 -19.937 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 627 36.610 -8.383 -23.224 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 627 37.554 -8.423 -23.444 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 627 36.347 -9.321 -23.122 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 628 31.653 -7.954 -31.160 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 628 32.001 -8.250 -30.291 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 628 31.596 -8.784 -31.687 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 629 32.531 -8.115 -35.072 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 629 32.512 -9.037 -34.788 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 629 33.343 -8.052 -35.622 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 630 37.191 6.657 -36.438 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 630 36.624 5.859 -36.425 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 630 36.845 7.178 -37.189 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 631 21.671 -9.594 -19.401 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 631 21.168 -9.707 -20.244 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 631 22.077 -8.724 -19.488 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 632 19.699 -8.418 -17.744 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 632 20.071 -7.535 -17.936 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 632 20.292 -9.033 -18.210 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 633 20.825 -1.154 -9.372 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 633 20.697 -1.135 -10.340 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 633 19.958 -1.462 -9.026 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 634 24.257 1.882 -8.111 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 634 25.064 1.681 -8.635 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 634 24.371 2.818 -7.846 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 635 19.820 -1.281 -11.939 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 635 19.798 -0.296 -11.937 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 635 20.158 -1.510 -12.842 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 636 31.575 6.010 -8.326 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 636 31.786 6.668 -7.655 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 636 32.016 5.190 -8.006 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 637 23.524 0.504 -5.852 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 637 23.887 0.980 -6.632 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 637 22.655 0.173 -6.159 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 638 21.132 1.908 -18.448 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 638 20.939 2.486 -19.211 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 638 21.282 2.528 -17.707 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 639 32.959 3.538 -10.173 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 639 32.204 4.037 -10.543 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 639 32.759 3.476 -9.218 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 640 33.452 6.400 -11.828 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 640 34.104 7.090 -11.983 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 640 33.955 5.682 -11.421 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 641 34.902 1.719 -10.910 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 641 34.259 0.999 -11.038 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 641 34.348 2.485 -10.638 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 642 33.886 1.576 -6.185 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 642 34.242 1.175 -5.365 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 642 34.665 2.051 -6.579 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 643 34.070 -0.554 -8.029 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 643 33.974 -0.103 -8.887 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 643 34.070 0.174 -7.377 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 644 29.157 4.730 -8.418 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 644 29.265 4.223 -7.593 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 644 29.931 5.326 -8.433 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 645 24.013 2.272 -3.773 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 645 24.018 1.671 -2.994 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 645 23.748 1.693 -4.514 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 646 21.577 -2.892 -5.423 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 646 20.902 -2.898 -4.730 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 646 21.392 -2.066 -5.930 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 647 38.062 3.727 -21.284 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 647 37.168 4.144 -21.309 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 647 38.292 3.719 -20.336 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 648 26.135 3.369 -5.001 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 648 26.813 2.683 -4.885 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 648 25.396 3.079 -4.412 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 649 27.364 5.148 -10.392 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 649 26.613 5.368 -9.833 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 649 28.091 4.953 -9.751 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 650 21.114 5.959 -9.803 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 650 21.440 5.156 -9.364 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 650 20.606 6.421 -9.102 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 651 27.116 6.208 -15.481 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 651 27.342 5.520 -16.146 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 651 27.313 7.058 -15.934 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 652 32.401 -2.021 -4.504 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 652 32.104 -2.688 -5.164 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 652 32.289 -2.471 -3.650 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 653 28.399 1.392 -22.340 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 653 28.832 1.187 -23.194 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 653 28.735 2.287 -22.112 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 654 27.536 -3.257 -1.911 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 654 28.240 -2.632 -1.636 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 654 28.032 -4.027 -2.273 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 655 20.580 -5.886 -18.553 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 655 20.324 -5.053 -18.110 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 655 19.966 -5.951 -19.301 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 656 36.755 -0.292 -5.755 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 656 37.336 -0.487 -4.989 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 656 37.260 0.380 -6.270 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 657 23.640 -0.494 -9.345 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 657 22.703 -0.749 -9.354 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 657 23.646 0.383 -8.912 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 658 21.155 -0.511 -6.756 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 658 21.127 -0.752 -7.709 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 658 20.714 0.366 -6.722 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 659 25.463 -1.748 -0.715 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 659 24.987 -2.394 -0.154 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 659 26.211 -2.255 -1.078 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 660 29.913 3.708 -5.889 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 660 29.416 4.481 -5.531 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 660 29.518 2.942 -5.424 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 661 20.461 -1.608 -14.525 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 661 19.898 -0.893 -14.888 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 661 20.998 -1.889 -15.274 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 662 24.449 4.360 -6.914 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 662 24.760 5.268 -6.979 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 662 25.012 3.964 -6.207 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 663 26.183 0.654 -9.653 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 663 26.905 0.129 -9.237 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 663 25.444 0.021 -9.737 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 664 30.253 -0.866 -18.703 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 664 30.453 -1.008 -17.768 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 664 30.794 -1.546 -19.171 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 665 35.633 4.939 -21.045 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 665 35.074 5.616 -21.441 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 665 35.033 4.171 -20.927 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 666 38.169 2.972 -14.277 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 666 38.157 2.300 -14.980 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 666 37.653 3.701 -14.640 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 667 24.487 5.230 -12.478 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 667 24.221 5.380 -13.412 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 667 24.631 6.134 -12.120 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 668 25.778 1.608 -19.576 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 668 25.233 1.189 -18.896 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 668 26.633 1.111 -19.542 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 669 27.435 3.832 -16.832 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 669 27.026 3.894 -17.702 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 669 28.015 3.038 -16.896 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 670 21.754 3.643 -16.204 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 670 22.430 3.481 -15.534 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 670 22.071 4.447 -16.672 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 671 19.838 3.091 -14.015 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 671 20.006 3.915 -13.497 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 671 20.291 3.249 -14.865 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 672 29.646 8.279 -20.892 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 672 29.968 7.592 -21.519 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 672 30.437 8.772 -20.664 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 673 28.291 4.981 -2.091 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 673 28.753 4.203 -1.708 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 673 27.752 5.312 -1.369 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 674 24.078 0.096 -2.150 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 674 24.601 -0.347 -1.448 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 674 23.930 -0.604 -2.808 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 675 28.861 4.030 -21.726 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 675 28.762 4.514 -22.579 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 675 29.807 4.140 -21.497 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 676 31.343 0.516 -4.801 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 676 31.672 -0.408 -4.740 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 676 32.072 0.999 -5.227 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 677 23.845 -1.720 -4.279 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 677 23.078 -2.170 -4.678 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 677 23.953 -0.906 -4.817 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 678 28.731 1.616 -4.457 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 678 29.564 1.129 -4.619 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 678 28.476 1.357 -3.563 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 679 35.511 0.112 -19.844 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 679 35.523 -0.698 -19.289 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 679 36.414 0.466 -19.762 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 680 23.507 -5.799 -3.822 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 680 24.239 -5.140 -3.741 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 680 23.306 -6.041 -2.894 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 681 29.823 -1.933 -1.115 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 681 29.892 -1.005 -1.416 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 681 30.753 -2.212 -0.993 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 682 30.583 0.567 -2.127 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 682 31.278 0.958 -1.552 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 682 30.970 0.597 -3.025 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 683 23.309 -6.125 -1.099 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 683 22.995 -5.383 -0.558 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 683 24.283 -6.119 -0.966 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 684 25.310 -3.850 -3.467 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 684 26.081 -3.615 -2.914 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 684 24.896 -2.985 -3.683 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 685 24.466 -3.974 0.613 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 685 24.460 -4.301 1.534 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 685 25.082 -4.573 0.155 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 686 27.389 8.702 -16.692 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 686 27.807 9.458 -16.267 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 686 27.523 8.862 -17.657 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 687 23.021 3.389 -22.248 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 687 23.163 2.427 -22.220 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 687 23.752 3.723 -22.809 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 688 20.618 5.247 -12.479 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 688 21.017 6.011 -12.908 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 688 20.713 5.434 -11.522 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 689 37.308 1.997 -16.948 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 689 36.464 1.602 -16.698 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 689 37.570 1.508 -17.757 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 690 33.296 -8.715 -12.376 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 690 33.269 -9.632 -12.036 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 690 33.340 -8.825 -13.350 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 691 37.499 4.199 -9.177 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 691 37.457 3.519 -9.881 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 691 37.894 4.971 -9.623 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 692 36.052 2.724 -7.324 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 692 36.294 3.440 -7.945 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 692 36.885 2.220 -7.212 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 693 34.400 -4.634 -21.726 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 693 33.668 -4.017 -21.957 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 693 35.155 -4.036 -21.519 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 694 19.852 1.448 -11.811 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 694 20.687 1.758 -11.439 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 694 19.721 2.013 -12.608 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 695 32.354 1.840 -0.439 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 695 32.968 1.153 -0.090 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 695 32.907 2.622 -0.532 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 696 37.655 -3.180 -5.184 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 696 36.713 -3.354 -4.980 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 696 38.074 -4.073 -5.151 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 697 36.035 -7.089 -17.066 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 697 36.081 -7.749 -17.802 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 697 36.764 -7.354 -16.468 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 698 16.402 -3.446 -7.271 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 698 16.010 -4.123 -7.851 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 698 15.632 -2.999 -6.875 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 699 33.693 -9.768 -14.941 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 699 33.091 -10.440 -15.321 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 699 34.523 -10.272 -14.760 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 700 34.538 -0.304 -4.196 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 700 35.291 -0.436 -4.815 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 700 33.913 -1.025 -4.418 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 701 28.215 0.515 -19.729 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 701 28.943 -0.100 -19.464 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 701 28.400 0.709 -20.675 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 702 19.755 -7.523 -8.446 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 702 19.179 -7.459 -7.658 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 702 19.134 -7.659 -9.182 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 703 21.722 4.363 -7.347 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 703 21.382 3.453 -7.250 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 703 22.681 4.284 -7.144 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 704 28.045 5.312 -4.796 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 704 27.253 4.753 -4.924 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 704 28.163 5.338 -3.821 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 705 32.237 3.511 -7.408 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 705 32.825 2.874 -6.956 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 705 31.426 3.527 -6.850 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 706 20.383 6.744 -7.278 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 706 19.967 6.887 -6.424 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 706 20.873 5.898 -7.170 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 707 23.026 7.953 -9.932 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 707 22.374 7.224 -10.007 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 707 22.633 8.557 -9.295 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 708 32.104 -7.210 -10.303 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 708 32.566 -7.770 -10.961 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 708 31.583 -6.605 -10.839 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 709 24.457 5.432 -15.157 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 709 25.313 5.851 -15.370 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 709 23.942 5.507 -15.988 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 710 22.872 -4.426 -19.982 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 710 22.553 -4.949 -19.229 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 710 22.100 -4.407 -20.600 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 711 28.857 1.532 -17.223 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 711 28.695 1.273 -18.154 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 711 29.504 0.879 -16.907 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 712 21.572 -9.317 -7.324 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 712 21.044 -8.648 -7.808 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 712 21.010 -10.107 -7.328 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 713 23.377 -8.868 -1.440 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 713 23.296 -7.906 -1.273 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 713 22.672 -9.055 -2.082 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 714 23.142 5.686 -17.538 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 714 23.231 5.262 -18.424 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 714 23.683 6.505 -17.616 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 715 32.567 -4.572 -2.912 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 715 31.776 -4.973 -3.306 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 715 33.063 -5.338 -2.549 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 716 31.286 -8.096 -0.111 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 716 32.051 -7.734 -0.584 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 716 31.236 -9.037 -0.413 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 717 29.041 -5.408 -2.628 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 717 29.681 -5.907 -3.166 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 717 29.008 -5.900 -1.783 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 718 25.983 -6.004 -0.552 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 718 26.808 -5.559 -0.804 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 718 26.249 -6.603 0.188 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 719 29.529 -7.727 4.248 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 719 30.014 -8.048 3.461 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 719 29.977 -8.157 4.990 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 720 34.358 0.138 0.279 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 720 34.987 -0.053 0.980 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 720 34.625 -0.460 -0.455 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 721 31.623 -2.909 1.669 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 721 32.009 -2.757 0.784 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 721 31.893 -2.144 2.181 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 722 26.387 -7.779 1.454 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 722 26.756 -8.664 1.248 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 722 26.676 -7.607 2.375 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 723 29.521 2.838 -0.889 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 723 30.332 2.821 -0.362 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 723 29.496 1.963 -1.311 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 724 29.489 -4.315 0.651 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 724 29.301 -3.552 0.080 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 724 30.217 -4.003 1.232 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 725 32.528 -2.564 -0.951 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 725 33.409 -2.174 -1.131 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 725 32.509 -3.372 -1.505 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 726 35.051 -3.895 -4.618 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 726 35.393 -4.490 -3.918 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 726 34.105 -3.827 -4.427 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 727 33.934 -6.884 -2.050 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 727 34.233 -7.810 -1.949 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 727 34.765 -6.365 -2.081 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 728 31.012 -9.190 2.409 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 728 31.071 -8.660 1.586 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 728 31.602 -9.955 2.240 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 729 24.887 -5.753 2.723 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 729 25.564 -5.910 3.403 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 729 24.988 -6.500 2.115 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 730 26.910 -7.182 4.075 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 730 26.647 -7.592 4.903 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 730 27.898 -7.213 4.095 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 731 25.244 7.602 -11.454 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 731 25.913 8.156 -11.048 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 731 24.424 7.799 -10.943 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 732 31.055 5.392 -11.020 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 732 31.059 5.775 -10.122 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 732 31.774 5.870 -11.486 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 733 48.796 -19.031 -44.262 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 733 48.887 -19.991 -44.445 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 733 48.291 -19.003 -43.423 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 734 36.879 -18.283 -45.192 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 734 37.036 -18.939 -44.486 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 734 37.774 -18.068 -45.524 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 735 49.745 -13.281 -48.349 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 735 49.600 -14.142 -47.916 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 735 48.894 -13.093 -48.793 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 736 47.277 -13.392 -49.621 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 736 46.912 -14.282 -49.432 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 736 46.484 -12.821 -49.698 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 737 47.482 -17.031 -45.589 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 737 46.684 -17.004 -45.052 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 737 48.001 -17.777 -45.214 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 738 53.558 -20.818 -44.361 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 738 54.168 -20.374 -44.988 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 738 53.376 -20.133 -43.688 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 739 49.295 -14.227 -51.341 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 739 48.545 -13.802 -50.884 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 739 50.004 -13.578 -51.286 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 740 41.256 -14.407 -42.485 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 740 42.186 -14.699 -42.428 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 740 40.780 -15.196 -42.811 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 741 52.433 -7.902 -50.847 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 741 52.896 -8.657 -50.415 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 741 52.895 -7.108 -50.493 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 742 51.869 -11.667 -48.061 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 742 51.389 -10.819 -48.219 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 742 51.199 -12.359 -48.285 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 743 53.205 -18.508 -42.912 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 743 52.493 -18.194 -43.514 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 743 54.011 -18.035 -43.222 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 744 44.846 -12.064 -49.450 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 744 44.276 -11.577 -50.093 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 744 44.956 -11.445 -48.719 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 745 48.762 -21.761 -43.957 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 745 49.682 -21.966 -44.216 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 745 48.460 -22.567 -43.490 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 746 39.756 -16.681 -43.039 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 746 39.621 -17.106 -42.178 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 746 38.878 -16.272 -43.244 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 747 50.821 -9.864 -51.876 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 747 51.510 -9.193 -51.683 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 747 50.438 -9.576 -52.708 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 748 37.316 -15.839 -43.838 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 748 36.633 -15.240 -43.464 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 748 36.811 -16.620 -44.136 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 749 55.528 -14.527 -43.132 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 749 56.428 -14.524 -42.752 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 749 54.946 -14.605 -42.356 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 750 48.299 -5.850 -52.311 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 750 48.235 -5.151 -51.629 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 750 48.823 -5.432 -53.033 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 751 42.988 -7.639 -52.335 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 751 42.625 -6.730 -52.383 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 751 43.954 -7.517 -52.458 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 752 50.322 -9.721 -49.159 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 752 50.368 -9.947 -50.111 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 752 50.094 -8.779 -49.152 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 753 47.613 -23.044 -38.535 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 753 47.060 -23.250 -37.755 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 753 48.526 -22.977 -38.171 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 754 46.504 -23.119 -41.017 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 754 47.163 -23.445 -41.664 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 754 46.933 -23.262 -40.146 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 755 36.773 -19.866 -42.894 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 755 36.963 -19.621 -41.960 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 755 36.765 -20.829 -42.889 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 756 45.404 -17.697 -41.200 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 756 45.837 -18.433 -41.686 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 756 45.934 -17.611 -40.385 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 757 51.256 -17.640 -44.585 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 757 50.919 -16.714 -44.612 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 757 50.444 -18.187 -44.551 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 758 48.832 -16.467 -49.806 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 758 47.853 -16.460 -49.814 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 758 49.082 -15.825 -50.505 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 759 37.292 -19.219 -40.298 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 759 38.130 -18.712 -40.341 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 759 37.424 -19.832 -39.564 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 760 51.703 -16.466 -48.179 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 760 51.408 -16.673 -49.074 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 760 50.883 -16.226 -47.709 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 761 44.024 -14.621 -50.033 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 761 43.442 -14.529 -50.793 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 761 44.237 -13.696 -49.781 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 762 46.197 -15.931 -49.128 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 762 45.346 -15.601 -49.504 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 762 45.945 -16.328 -48.286 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 763 45.704 -6.956 -52.255 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 763 46.629 -6.687 -52.425 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 763 45.404 -6.343 -51.554 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 764 47.090 -19.718 -42.183 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 764 47.142 -20.562 -42.661 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 764 47.149 -19.979 -41.234 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 765 47.120 -20.491 -39.546 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 765 47.734 -19.969 -38.980 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 765 47.282 -21.420 -39.276 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 766 50.897 -24.223 -43.044 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 766 51.095 -23.574 -43.755 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 766 51.714 -24.279 -42.542 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 767 49.198 -15.756 -47.242 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 767 48.538 -16.216 -46.670 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 767 49.008 -16.098 -48.150 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 768 43.118 -10.664 -51.042 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 768 43.335 -10.149 -51.832 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 768 42.562 -10.058 -50.511 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 769 39.782 -18.011 -40.110 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 769 40.706 -17.901 -40.421 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 769 39.870 -18.563 -39.301 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 770 39.514 -17.452 -45.696 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 770 40.368 -17.731 -46.038 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 770 39.703 -17.177 -44.772 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 771 44.582 -21.306 -40.332 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 771 45.354 -20.826 -39.977 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 771 44.974 -22.106 -40.741 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 772 43.866 -15.551 -42.298 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 772 44.426 -14.762 -42.456 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 772 44.493 -16.228 -41.970 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 773 48.846 -19.093 -38.016 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 773 48.414 -18.261 -38.286 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 773 49.051 -18.961 -37.062 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 774 42.490 -17.771 -41.040 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 774 43.432 -18.004 -40.929 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 774 42.512 -16.969 -41.589 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 775 46.002 -23.760 -36.385 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 775 45.099 -23.669 -36.714 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 775 45.950 -23.445 -35.454 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 776 47.902 -25.605 -35.557 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 776 48.617 -25.599 -36.202 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 776 47.203 -25.054 -35.966 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 777 47.506 -25.142 -32.916 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 777 47.726 -25.434 -33.831 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 777 48.232 -24.518 -32.683 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 778 39.413 -9.790 -49.300 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 778 39.584 -10.601 -49.783 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 778 40.174 -9.210 -49.528 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 779 41.711 -8.493 -50.087 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 779 42.064 -8.229 -50.966 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 779 41.854 -7.695 -49.529 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 780 54.072 -8.955 -46.561 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 780 54.469 -9.779 -46.887 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 780 53.230 -9.243 -46.149 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 781 50.467 -15.080 -44.909 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 781 49.971 -15.183 -45.745 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 781 50.962 -14.242 -45.025 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 782 37.991 -15.030 -46.398 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 782 38.546 -15.758 -46.708 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 782 37.770 -15.278 -45.479 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 783 53.952 -18.290 -40.341 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 783 53.414 -18.932 -39.826 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 783 53.683 -18.447 -41.271 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 784 48.273 -24.194 -42.700 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 784 47.950 -25.081 -42.889 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 784 49.256 -24.297 -42.662 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 785 51.368 -22.280 -44.913 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 785 51.403 -22.276 -45.876 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 785 52.166 -21.757 -44.641 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 786 52.341 -20.204 -39.173 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 786 53.047 -20.686 -38.692 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 786 51.542 -20.371 -38.655 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 787 53.238 -6.346 -46.925 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 787 53.312 -6.293 -47.902 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 787 53.736 -7.165 -46.693 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 788 41.809 -16.607 -25.119 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 788 40.876 -16.335 -25.234 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 788 42.320 -15.817 -25.382 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 789 40.791 -17.898 -31.918 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 789 39.908 -17.735 -32.308 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 789 40.742 -17.486 -31.038 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 790 40.657 -14.879 -28.958 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 790 41.422 -14.349 -29.274 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 790 39.866 -14.367 -29.245 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 791 53.625 -20.070 -23.839 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 791 53.803 -19.150 -23.541 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 791 52.973 -20.407 -23.185 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 792 42.522 -22.234 -31.267 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 792 42.629 -23.178 -31.457 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 792 41.579 -22.063 -31.449 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 793 50.883 -21.182 -33.680 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 793 51.143 -20.236 -33.747 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 793 50.072 -21.241 -34.225 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 794 38.089 -17.077 -26.863 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 794 37.445 -17.434 -26.220 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 794 38.650 -16.477 -26.324 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 795 54.160 -17.542 -23.002 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 795 54.010 -17.129 -23.885 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 795 54.246 -16.781 -22.393 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 796 53.625 -21.509 -29.798 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 796 53.086 -20.724 -29.579 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 796 54.453 -21.375 -29.301 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 797 44.238 -20.160 -31.557 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 797 43.769 -19.794 -32.325 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 797 43.693 -20.936 -31.292 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 798 51.641 -20.356 -21.949 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 798 50.699 -20.547 -22.089 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 798 51.656 -19.816 -21.132 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 799 44.100 -19.038 -26.807 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 799 44.561 -19.076 -27.676 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 799 43.456 -18.327 -26.911 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 800 38.643 -14.219 -20.475 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 800 38.737 -13.624 -19.702 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 800 39.263 -14.960 -20.286 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 801 51.986 -23.209 -35.232 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 801 51.934 -23.987 -34.638 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 801 51.797 -22.447 -34.643 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 802 39.329 -15.356 -25.156 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 802 39.330 -14.581 -25.759 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 802 38.984 -14.997 -24.312 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 803 53.252 -20.843 -18.962 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 803 52.527 -20.197 -19.139 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 803 53.964 -20.559 -19.564 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 804 46.975 -18.548 -33.937 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 804 47.237 -17.935 -33.220 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 804 47.746 -18.540 -34.554 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 805 45.701 -19.679 -24.684 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 805 45.017 -19.351 -25.316 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 805 46.397 -20.049 -25.264 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 806 49.962 -18.356 -31.609 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 806 50.223 -18.457 -32.558 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 806 50.783 -18.062 -31.173 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 807 45.190 -22.323 -26.460 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 807 44.670 -21.810 -27.090 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 807 46.073 -21.901 -26.478 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 808 43.109 -22.414 -34.322 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 808 43.982 -22.823 -34.136 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 808 43.115 -21.599 -33.796 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 809 41.254 -20.738 -35.661 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 809 41.732 -20.158 -35.032 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 809 41.715 -21.594 -35.586 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 810 47.089 -21.055 -32.835 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 810 46.873 -20.155 -33.167 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 810 47.260 -20.923 -31.890 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 811 39.760 -17.423 -29.064 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 811 39.179 -17.478 -28.276 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 811 40.156 -16.523 -29.002 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 812 42.483 -19.368 -33.609 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 812 42.819 -18.620 -34.151 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 812 41.865 -18.940 -32.974 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 813 49.986 -22.891 -29.672 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 813 50.154 -22.037 -29.236 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 813 49.299 -23.313 -29.105 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 814 45.391 -19.338 -29.227 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 814 46.335 -19.511 -29.412 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 814 44.933 -19.594 -30.061 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 815 41.339 -24.166 -32.985 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 815 40.607 -23.574 -32.734 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 815 41.879 -23.633 -33.594 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 816 47.563 -20.933 -26.362 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 816 48.036 -21.176 -27.176 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 816 48.254 -20.502 -25.805 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 817 48.612 -21.326 -35.155 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 817 47.996 -21.348 -34.396 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 817 48.762 -20.361 -35.316 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 818 36.361 -17.714 -24.743 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 818 36.409 -18.507 -24.201 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 818 35.465 -17.754 -25.151 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 819 45.744 -16.723 -20.618 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 819 45.241 -16.054 -21.102 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 819 45.972 -17.395 -21.300 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 820 40.040 -19.881 -38.058 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 820 40.771 -20.150 -38.665 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 820 40.360 -20.156 -37.171 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 821 50.012 -20.497 -28.062 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 821 50.781 -20.052 -28.487 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 821 50.227 -20.482 -27.114 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 822 49.531 -23.365 -32.388 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 822 50.022 -22.600 -32.754 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 822 49.621 -23.260 -31.416 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 823 47.448 -17.181 -31.600 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 823 48.395 -17.427 -31.561 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 823 47.061 -17.606 -30.823 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 824 49.510 -19.858 -24.840 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 824 49.353 -20.146 -23.917 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 824 50.011 -19.020 -24.746 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 825 48.098 -19.711 -29.989 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 825 48.768 -19.388 -30.628 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 825 48.629 -20.035 -29.233 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 826 45.689 -23.216 -33.713 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 826 46.125 -22.413 -33.341 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 826 46.184 -23.962 -33.312 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 827 54.350 -15.629 -20.907 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 827 54.915 -15.297 -20.178 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 827 53.594 -16.067 -20.445 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 828 42.159 -20.226 -39.728 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 828 42.242 -19.503 -40.371 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 828 42.980 -20.757 -39.859 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 829 38.629 -12.549 -18.239 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 829 37.704 -12.604 -17.926 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 829 38.780 -11.584 -18.350 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 830 40.425 -16.233 -19.978 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 830 40.785 -16.710 -20.758 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 830 40.465 -16.889 -19.252 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 831 46.552 -18.813 -22.207 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 831 46.121 -19.012 -23.066 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 831 47.387 -19.312 -22.242 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 832 44.981 -22.105 -23.698 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 832 44.929 -22.535 -24.577 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 832 45.169 -21.163 -23.909 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 833 48.054 -23.601 -27.925 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 833 47.875 -23.600 -26.979 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 833 47.438 -24.284 -28.285 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 834 41.698 -19.886 -22.365 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 834 41.769 -20.230 -23.260 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 834 42.355 -20.409 -21.854 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 835 47.180 -22.699 -22.154 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 835 46.869 -22.536 -21.244 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 835 46.367 -22.655 -22.698 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 836 48.820 -20.583 -22.232 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 836 48.311 -21.419 -22.374 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 836 48.926 -20.536 -21.255 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 837 49.177 -20.649 -19.530 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 837 49.862 -19.941 -19.513 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 837 49.579 -21.379 -19.006 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 838 55.937 -14.382 -22.864 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 838 55.318 -14.760 -22.206 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 838 55.445 -14.429 -23.714 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 839 49.916 -22.731 -37.086 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 839 50.731 -22.984 -36.610 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 839 49.420 -22.188 -36.435 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 840 52.230 -19.249 -29.003 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 840 52.436 -18.467 -29.553 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 840 52.450 -18.971 -28.089 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 841 50.940 -17.417 -24.667 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 841 50.460 -16.736 -24.166 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 841 51.804 -16.987 -24.894 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 842 51.545 -25.052 -33.192 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 842 52.097 -24.729 -32.444 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 842 50.677 -24.633 -33.036 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 843 36.444 -15.495 -28.473 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 843 36.994 -14.742 -28.805 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 843 37.092 -16.097 -28.056 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 844 50.932 -22.250 -18.165 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 844 51.728 -22.027 -18.680 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 844 51.269 -22.400 -17.268 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 845 54.651 -23.112 -36.074 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 845 53.705 -23.221 -35.854 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 845 54.653 -22.470 -36.814 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 846 46.272 -25.495 -28.654 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 846 46.312 -25.997 -29.500 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 846 45.335 -25.459 -28.446 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 847 52.330 -23.664 -30.962 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 847 52.936 -22.955 -30.660 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 847 51.505 -23.495 -30.467 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 848 51.328 -27.774 -33.723 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 848 51.559 -26.830 -33.622 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 848 50.502 -27.865 -33.253 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 849 46.301 -26.757 -31.082 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 849 46.240 -27.570 -31.587 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 849 46.720 -26.118 -31.702 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 850 38.922 -17.616 -6.293 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 850 39.201 -18.517 -6.560 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 850 39.684 -17.047 -6.536 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 851 39.991 -14.532 -16.575 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 851 40.670 -14.710 -17.251 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 851 39.451 -13.819 -16.965 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 852 49.248 -20.185 -10.935 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 852 49.453 -19.468 -11.575 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 852 48.310 -20.025 -10.688 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 853 43.813 -20.215 -12.010 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 853 44.147 -19.616 -12.704 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 853 44.233 -21.071 -12.212 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 854 49.524 -21.098 -13.938 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 854 50.339 -21.624 -13.932 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 854 49.796 -20.233 -13.582 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 855 37.522 -18.168 -12.679 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 855 37.791 -18.003 -11.749 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 855 36.626 -18.514 -12.607 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 856 43.020 -19.793 -9.389 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 856 43.724 -20.409 -9.100 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 856 43.121 -19.766 -10.366 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 857 43.371 -15.751 -8.962 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 857 44.224 -16.179 -8.773 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 857 43.568 -15.146 -9.693 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 858 48.528 -24.757 -11.084 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 858 48.893 -25.319 -11.778 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 858 49.196 -24.045 -10.976 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 859 38.048 -17.818 -10.013 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 859 38.952 -18.160 -9.806 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 859 37.513 -18.083 -9.237 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 860 53.613 -11.050 -8.797 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 860 52.690 -10.807 -8.568 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 860 53.901 -11.612 -8.045 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 861 52.488 -14.692 -7.341 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 861 51.797 -14.103 -7.706 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 861 52.891 -15.101 -8.126 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 862 54.637 -20.792 -14.261 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 862 55.366 -20.152 -14.368 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 862 53.888 -20.249 -13.943 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 863 50.359 -19.782 -8.488 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 863 51.250 -19.481 -8.766 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 863 49.936 -20.073 -9.326 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 864 41.427 -16.426 -6.965 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 864 41.883 -15.988 -7.714 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 864 41.898 -17.285 -6.873 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 865 43.231 -11.448 -6.195 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 865 43.106 -11.307 -7.160 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 865 42.434 -11.031 -5.793 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 866 41.730 -20.760 -5.384 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 866 41.945 -19.883 -5.766 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 866 42.559 -21.262 -5.473 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 867 37.111 -18.365 -4.312 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 867 37.751 -18.003 -4.963 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 867 36.482 -17.620 -4.154 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 868 46.386 -13.803 -7.409 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 868 46.092 -13.255 -8.153 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 868 45.591 -13.865 -6.824 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 869 39.923 -14.688 -3.227 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 869 38.985 -14.755 -2.991 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 869 40.004 -13.797 -3.635 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 870 46.595 -21.632 -19.598 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 870 47.470 -21.193 -19.525 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 870 46.540 -22.184 -18.788 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 871 40.298 -19.108 -9.114 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 871 40.002 -19.669 -8.368 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 871 41.236 -19.362 -9.245 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 872 42.194 -18.643 -15.041 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 872 42.880 -18.768 -14.358 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 872 42.702 -18.618 -15.880 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 873 39.368 -20.309 -6.838 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 873 40.082 -20.719 -6.309 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 873 38.543 -20.692 -6.469 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 874 43.763 -21.399 -21.332 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 874 44.466 -21.419 -20.667 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 874 44.174 -21.793 -22.129 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 875 36.554 -19.679 -15.964 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 875 36.627 -20.588 -15.664 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 875 35.684 -19.647 -16.425 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 876 48.700 -17.618 -8.011 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 876 49.187 -18.467 -8.095 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 876 49.184 -17.136 -7.297 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 877 46.861 -19.288 -9.911 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 877 46.604 -18.739 -10.676 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 877 46.999 -18.647 -9.196 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 878 38.623 -18.078 -15.243 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 878 38.352 -18.096 -14.299 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 878 37.916 -18.593 -15.697 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 879 43.839 -18.312 -17.165 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 879 44.647 -18.412 -16.621 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 879 44.145 -18.506 -18.070 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 880 45.267 -21.359 -8.907 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 880 45.551 -22.172 -9.370 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 880 45.868 -20.664 -9.254 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 881 46.026 -18.796 -18.865 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 881 46.164 -19.541 -19.470 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 881 46.010 -18.007 -19.453 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 882 51.193 -10.749 -2.399 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 882 51.125 -10.815 -3.382 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 882 51.390 -11.649 -2.117 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 883 37.412 -15.588 -1.629 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 883 38.277 -15.904 -1.296 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 883 36.762 -15.953 -0.986 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 884 47.081 -17.843 -12.426 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 884 48.017 -17.716 -12.642 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 884 46.911 -18.790 -12.663 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 885 44.564 -20.871 -6.256 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 885 44.769 -21.114 -7.183 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 885 45.401 -21.053 -5.774 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 886 52.539 -18.771 -9.830 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 886 51.897 -18.303 -10.422 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 886 53.164 -18.079 -9.570 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 887 48.122 -23.329 -14.717 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 887 48.862 -23.884 -14.401 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 887 48.429 -22.417 -14.556 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 888 46.290 -16.351 -8.482 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 888 46.336 -15.490 -8.014 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 888 47.114 -16.809 -8.220 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 889 51.552 -19.360 -16.498 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 889 51.281 -19.312 -17.437 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 889 52.009 -20.231 -16.427 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 890 36.712 -15.417 -10.643 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 890 37.207 -16.238 -10.452 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 890 36.492 -15.064 -9.772 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 891 49.931 -15.600 -9.500 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 891 49.443 -16.289 -9.010 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 891 50.376 -16.093 -10.224 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 892 53.011 -21.610 -16.322 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 892 53.741 -21.496 -15.680 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 892 53.430 -21.453 -17.195 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 893 40.376 -17.762 -17.417 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 893 39.679 -17.964 -16.761 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 893 41.089 -18.378 -17.203 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 894 52.246 -13.583 -11.624 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 894 52.332 -14.179 -10.867 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 894 53.048 -13.759 -12.158 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 895 50.176 -13.331 -7.990 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 895 49.972 -14.141 -8.521 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 895 49.574 -13.391 -7.217 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 896 49.611 -21.313 -6.317 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 896 50.438 -21.786 -6.205 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 896 49.785 -20.700 -7.063 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 897 47.000 -20.407 -13.004 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 897 47.816 -20.789 -13.378 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 897 46.414 -21.181 -12.866 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 898 49.080 -18.365 -15.576 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 898 49.880 -18.713 -16.008 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 898 49.305 -18.362 -14.627 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 899 47.072 -21.606 -5.336 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 899 47.280 -22.199 -4.611 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 899 47.942 -21.440 -5.767 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 900 47.132 -23.238 -17.340 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 900 47.525 -24.076 -17.593 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 900 47.352 -23.149 -16.390 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 901 41.432 -17.186 -22.443 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 901 41.538 -18.147 -22.256 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 901 41.605 -17.114 -23.404 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 902 40.015 -12.305 -4.578 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 902 40.418 -11.430 -4.831 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 902 39.586 -12.604 -5.387 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 903 35.983 -13.331 -1.881 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 903 36.567 -14.099 -1.716 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 903 35.179 -13.724 -2.292 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 904 42.235 -15.362 -4.538 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 904 41.380 -15.194 -4.085 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 904 41.977 -15.822 -5.367 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 905 50.223 -16.118 -6.343 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 905 50.120 -15.875 -5.418 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 905 51.072 -15.710 -6.607 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 906 38.845 -18.389 -2.169 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 906 38.164 -18.405 -2.877 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 906 38.616 -19.149 -1.601 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 907 44.749 -18.404 -13.934 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 907 45.347 -18.650 -14.675 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 907 45.309 -17.864 -13.350 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 908 42.888 -15.842 -16.307 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 908 42.674 -15.347 -17.130 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 908 43.271 -16.684 -16.630 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 909 42.855 -18.745 -6.821 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 909 42.878 -18.925 -7.785 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 909 43.618 -19.250 -6.468 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 910 50.811 -11.249 -5.055 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 910 51.039 -10.912 -5.944 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 910 49.998 -11.767 -5.201 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 911 56.732 -13.049 -13.874 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 911 57.689 -13.212 -13.751 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 911 56.678 -12.088 -14.059 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 912 55.525 -11.611 -10.667 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 912 54.725 -11.556 -10.097 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 912 55.711 -12.561 -10.725 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 913 53.256 -15.894 -10.303 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 913 52.539 -16.349 -10.797 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 913 53.905 -15.653 -10.989 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 914 51.096 -10.745 -7.774 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 914 50.451 -10.173 -8.247 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 914 50.750 -11.654 -7.901 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 915 53.221 -17.140 -16.915 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 915 53.076 -16.963 -17.872 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 915 52.642 -17.900 -16.725 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 916 54.344 -18.822 -20.524 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 916 53.611 -18.272 -20.147 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 916 54.396 -18.536 -21.457 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 917 52.264 -19.517 -13.675 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 917 51.569 -18.985 -13.226 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 917 52.082 -19.388 -14.625 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 918 50.333 -22.670 -11.152 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 918 51.244 -22.324 -11.066 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 918 49.770 -21.866 -11.088 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 919 52.594 -21.056 -11.383 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 919 52.545 -20.525 -12.204 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 919 52.678 -20.387 -10.672 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 920 36.769 -20.639 -5.903 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 920 35.875 -21.040 -5.866 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 920 36.797 -20.042 -5.123 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 921 50.520 -24.071 -13.495 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 921 50.420 -23.658 -12.615 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 921 51.469 -23.953 -13.704 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 922 35.463 -20.260 -9.468 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 922 36.287 -20.748 -9.584 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 922 35.702 -19.528 -8.865 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 923 56.664 -20.360 -17.282 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 923 57.022 -21.212 -17.542 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 923 56.747 -19.808 -18.091 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 924 46.776 -11.013 -4.366 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 924 46.124 -10.307 -4.510 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 924 47.378 -10.646 -3.671 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 925 48.406 -12.580 -5.954 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 925 47.707 -13.050 -6.460 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 925 47.902 -11.975 -5.364 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 926 48.394 -11.895 -9.510 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 926 49.029 -12.390 -8.964 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 926 48.586 -10.957 -9.312 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 927 49.183 -9.292 -9.160 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 927 48.474 -8.865 -8.661 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 927 49.362 -8.666 -9.902 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 928 45.450 -22.608 -12.532 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 928 45.792 -23.250 -13.170 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 928 45.589 -23.036 -11.660 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 929 46.158 -23.780 -10.126 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 929 45.883 -24.447 -9.488 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 929 47.037 -24.098 -10.443 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 930 46.420 -18.678 -16.149 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 930 47.372 -18.590 -15.914 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 930 46.428 -18.804 -17.126 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 931 37.184 -14.030 1.405 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 931 38.089 -13.702 1.236 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 931 37.306 -14.991 1.541 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 932 37.193 -19.141 0.662 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 932 37.819 -19.771 0.257 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 932 36.327 -19.394 0.285 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 933 44.241 -13.908 -5.768 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 933 43.534 -14.462 -5.369 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 933 43.807 -13.031 -5.911 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 934 40.088 -14.253 0.905 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 934 39.991 -15.010 0.293 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 934 41.055 -14.108 0.945 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 935 37.598 -16.748 2.031 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 935 38.549 -16.770 2.193 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 935 37.421 -17.577 1.527 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 936 42.833 -14.483 0.402 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 936 43.580 -14.821 0.901 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 936 43.058 -14.683 -0.535 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 937 39.987 -16.279 -0.951 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 937 39.744 -17.164 -1.306 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 937 40.310 -15.790 -1.734 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 938 39.921 -20.671 -3.331 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 938 39.951 -19.716 -3.157 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 938 40.578 -20.806 -4.046 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 939 45.558 -13.307 -3.484 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 939 45.207 -13.616 -4.346 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 939 46.128 -12.546 -3.721 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 940 43.707 -14.842 -2.159 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 940 44.502 -14.418 -2.547 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 940 43.202 -15.155 -2.934 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 941 43.917 -11.727 -1.914 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 941 44.512 -12.272 -2.465 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 941 43.560 -12.349 -1.269 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 942 39.396 -11.534 -1.991 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 942 40.134 -11.878 -1.479 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 942 39.650 -11.701 -2.922 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 943 38.090 -7.342 -2.767 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 943 39.043 -7.596 -2.834 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 943 37.668 -8.121 -2.384 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 944 36.918 -10.949 -1.055 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 944 36.584 -11.825 -1.370 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 944 37.880 -10.973 -1.273 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 945 45.030 -0.047 -49.996 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 945 45.760 -0.133 -49.341 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 945 44.225 -0.194 -49.472 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 946 47.007 -3.014 -46.847 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 946 47.340 -3.343 -45.991 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 946 46.704 -3.825 -47.312 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 947 39.490 3.147 -46.648 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 947 38.933 2.358 -46.533 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 947 40.289 2.811 -47.088 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 948 37.283 -2.377 -49.087 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 948 37.581 -2.976 -49.788 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 948 37.653 -1.513 -49.336 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 949 40.317 -1.356 -49.326 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 949 41.027 -1.113 -48.699 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 949 39.623 -0.674 -49.180 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 950 49.707 -0.160 -45.851 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 950 49.854 -0.999 -46.331 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 950 48.755 -0.182 -45.615 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 951 49.767 -7.163 -50.376 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 951 49.296 -6.854 -51.178 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 951 50.684 -7.325 -50.682 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 952 44.396 -2.039 -46.361 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 952 45.341 -2.289 -46.433 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 952 44.354 -1.493 -45.546 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 953 57.400 -3.411 -40.738 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 953 57.518 -3.451 -39.765 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 953 57.395 -2.452 -40.936 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 954 46.807 -0.453 -47.942 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 954 47.014 -1.373 -47.679 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 954 46.877 0.048 -47.116 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 955 48.682 -6.373 -48.051 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 955 49.356 -6.731 -47.430 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 955 48.987 -6.689 -48.935 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 956 43.020 3.565 -46.214 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 956 43.973 3.642 -46.463 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 956 42.651 2.939 -46.871 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 957 51.444 3.705 -48.243 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 957 51.151 3.278 -49.053 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 957 51.478 2.971 -47.584 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 958 52.764 1.672 -43.863 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 958 52.958 0.750 -43.639 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 958 53.513 2.178 -43.472 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 959 52.691 -3.340 -42.069 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 959 52.595 -4.151 -42.593 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 959 52.694 -2.623 -42.736 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 960 42.923 -1.013 -48.428 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 960 43.048 -1.782 -49.008 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 960 43.378 -1.270 -47.591 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 961 41.222 -0.148 -45.551 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 961 41.589 0.522 -44.936 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 961 41.345 -0.987 -45.089 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 962 51.578 1.844 -46.288 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 962 50.853 1.182 -46.251 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 962 52.032 1.746 -45.424 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 963 47.444 2.850 -39.944 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 963 47.538 3.064 -40.891 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 963 46.740 3.456 -39.632 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 964 43.610 7.873 -41.006 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 964 43.087 7.066 -41.196 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 964 43.274 8.178 -40.161 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 965 42.080 -1.249 -51.450 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 965 42.111 -0.334 -51.748 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 965 41.344 -1.269 -50.807 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 966 38.248 1.728 -43.891 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 966 39.049 2.225 -43.607 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 966 38.053 1.133 -43.128 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 967 59.476 5.131 -37.386 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 967 60.188 5.502 -37.919 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 967 58.651 5.425 -37.847 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 968 44.958 5.124 -41.538 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 968 45.144 4.965 -40.585 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 968 43.978 5.140 -41.589 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 969 42.386 1.878 -44.147 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 969 42.722 2.520 -44.810 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 969 41.751 2.400 -43.614 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 970 42.160 -6.017 -49.093 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 970 42.625 -5.542 -48.367 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 970 41.435 -5.409 -49.347 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 971 51.934 -3.022 -49.086 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 971 52.806 -3.132 -48.657 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 971 51.325 -2.854 -48.346 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 972 48.365 -4.169 -50.053 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 972 48.769 -4.667 -49.321 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 972 47.602 -3.734 -49.648 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 973 38.109 -8.988 -47.066 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 973 38.680 -8.230 -46.817 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 973 38.542 -9.350 -47.877 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 974 46.185 -5.171 -48.265 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 974 46.949 -5.783 -48.316 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 974 45.699 -5.318 -49.108 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 975 40.501 -4.031 -49.982 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 975 40.396 -3.100 -49.690 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 975 39.613 -4.276 -50.325 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 976 43.906 -3.137 -52.060 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 976 44.655 -2.608 -52.413 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 976 43.211 -2.464 -51.877 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 977 43.610 -4.445 -47.450 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 977 44.527 -4.752 -47.586 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 977 43.709 -3.608 -46.957 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 978 38.150 -4.664 -51.173 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 978 37.416 -5.259 -50.993 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 978 38.568 -5.038 -51.986 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 979 52.287 -1.673 -44.317 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 979 51.590 -1.238 -44.832 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 979 52.481 -2.490 -44.819 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 980 44.166 -0.305 -44.175 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 980 43.718 0.565 -44.154 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 980 43.628 -0.862 -43.577 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 981 41.765 1.521 -47.638 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 981 42.294 0.914 -48.182 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 981 41.486 0.969 -46.873 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 982 47.347 4.153 -42.393 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 982 46.465 4.543 -42.200 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 982 47.982 4.766 -41.962 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 983 57.211 5.876 -38.689 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 983 56.729 6.550 -39.174 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 983 56.800 5.027 -38.985 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 984 50.415 -2.752 -46.623 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 984 49.634 -3.124 -46.170 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 984 51.158 -3.302 -46.296 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 985 44.221 6.981 -43.590 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 985 44.068 7.638 -42.887 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 985 44.737 6.285 -43.151 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 986 46.998 -0.393 -45.052 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 986 46.195 0.083 -44.782 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 986 46.786 -1.333 -44.873 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 987 47.706 4.026 -45.071 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 987 47.492 3.954 -44.115 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 987 48.656 4.174 -45.088 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 988 42.062 5.512 -44.503 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 988 42.795 6.161 -44.417 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 988 42.389 4.870 -45.172 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 989 50.487 -3.140 -51.486 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 989 51.144 -3.024 -50.769 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 989 49.667 -3.388 -51.017 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 990 45.593 -1.016 -52.492 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 990 45.373 -0.650 -51.606 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 990 46.335 -0.484 -52.788 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 991 50.106 -4.472 -53.835 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 991 50.872 -4.370 -54.400 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 991 50.311 -3.916 -53.046 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 992 41.944 -5.048 -52.160 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 992 41.475 -4.654 -51.394 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 992 42.664 -4.409 -52.353 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 993 52.260 -4.321 -45.331 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 993 51.968 -4.870 -44.573 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 993 52.711 -4.962 -45.927 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 994 33.681 8.622 -37.671 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 994 32.959 8.033 -37.427 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 994 33.498 9.435 -37.190 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 995 46.513 5.820 -36.038 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 995 46.044 4.954 -35.999 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 995 46.389 6.197 -35.139 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 996 51.314 4.118 -43.805 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 996 51.697 3.237 -43.975 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 996 51.469 4.612 -44.634 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 997 51.587 3.506 -38.568 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 997 51.843 3.726 -39.492 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 997 50.872 4.145 -38.362 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 998 51.838 5.514 -46.258 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 998 51.719 6.420 -46.564 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 998 51.658 4.962 -47.057 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 999 54.006 3.921 -45.743 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 999 53.640 3.164 -46.219 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 999 53.383 4.649 -45.938 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1000 50.700 -7.574 -46.589 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1000 50.960 -8.458 -46.264 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1000 51.550 -7.113 -46.730 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1001 37.763 0.878 -46.383 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1001 37.459 -0.060 -46.332 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1001 37.934 1.125 -45.438 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1002 54.392 -3.677 -47.795 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1002 55.122 -3.186 -47.372 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1002 54.435 -4.557 -47.390 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1003 51.743 -3.980 -39.571 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1003 50.850 -3.765 -39.890 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1003 52.319 -3.817 -40.345 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1004 53.797 -5.924 -49.591 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1004 53.869 -4.958 -49.528 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1004 54.735 -6.235 -49.619 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1005 37.740 3.702 -54.872 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1005 37.247 4.474 -55.154 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1005 38.057 3.310 -55.687 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1006 42.202 5.595 -41.728 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1006 42.151 5.512 -42.706 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1006 41.273 5.496 -41.435 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1007 45.692 3.538 -46.829 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1007 46.342 3.733 -46.112 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1007 46.214 3.570 -47.632 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1008 56.354 -6.739 -49.302 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1008 56.937 -7.501 -49.317 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1008 56.587 -6.274 -48.464 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1009 39.534 -5.931 -53.174 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1009 40.443 -5.648 -52.935 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1009 39.665 -6.600 -53.851 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1010 44.560 -5.254 -50.436 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1010 43.688 -5.549 -50.103 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1010 44.354 -4.460 -50.983 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1011 51.821 -9.916 -45.375 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1011 51.752 -10.887 -45.437 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1011 51.760 -9.735 -44.409 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1012 52.222 4.182 -41.198 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1012 53.158 4.015 -41.380 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1012 51.808 4.207 -42.088 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1013 44.611 6.599 -31.663 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1013 44.865 5.653 -31.748 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1013 45.027 6.883 -30.819 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1014 49.832 3.932 -30.423 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1014 48.901 4.186 -30.238 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1014 49.908 4.003 -31.398 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1015 49.369 5.062 -38.188 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1015 49.045 5.900 -37.802 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1015 48.848 4.370 -37.731 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1016 48.579 6.705 -31.857 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1016 48.229 6.223 -31.076 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1016 49.225 6.086 -32.247 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1017 53.315 1.393 -38.249 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1017 52.776 2.194 -38.416 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1017 53.128 1.171 -37.321 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1018 48.441 8.543 -34.894 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1018 48.274 8.256 -35.812 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1018 47.642 8.254 -34.405 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1019 40.493 6.738 -32.030 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1019 40.018 6.925 -32.870 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1019 41.223 6.163 -32.293 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1020 47.018 7.131 -39.854 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1020 47.731 6.687 -40.355 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1020 46.301 7.230 -40.498 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1021 50.738 8.337 -36.613 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1021 50.307 8.954 -36.004 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1021 50.011 7.999 -37.163 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1022 49.830 4.510 -33.115 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1022 50.158 5.192 -33.735 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1022 49.182 3.992 -33.645 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1023 40.795 11.766 -27.900 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1023 41.471 11.588 -28.582 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1023 41.006 12.654 -27.590 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1024 37.385 3.763 -24.757 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1024 37.788 4.516 -25.247 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1024 38.142 3.151 -24.600 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1025 45.643 4.712 -38.933 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1025 45.389 4.205 -38.118 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1025 45.940 5.571 -38.593 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1026 47.889 3.028 -34.462 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1026 46.940 3.271 -34.339 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1026 48.000 2.996 -35.431 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1027 45.662 4.083 -31.935 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1027 46.007 3.185 -31.718 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1027 45.357 3.998 -32.877 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1028 40.505 7.731 -25.859 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1028 41.465 7.909 -25.969 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1028 40.320 8.006 -24.942 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1029 47.988 2.830 -37.240 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1029 47.026 2.945 -37.017 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1029 47.986 2.663 -38.209 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1030 49.156 5.576 -40.904 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1030 50.041 5.470 -41.287 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1030 49.265 5.289 -39.970 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1031 39.049 3.384 -18.715 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1031 39.094 2.465 -19.048 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1031 38.470 3.320 -17.933 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1032 46.510 7.112 -33.604 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1032 45.706 7.020 -33.053 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1032 47.247 6.949 -32.978 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1033 38.736 7.324 -34.150 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1033 38.143 6.904 -34.812 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1033 38.942 8.183 -34.534 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1034 37.907 7.108 -31.236 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1034 38.848 6.845 -31.323 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1034 37.642 7.330 -32.140 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1035 53.356 6.048 -26.891 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1035 54.085 6.681 -26.807 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1035 53.183 5.763 -25.969 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1036 53.343 8.360 -23.200 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1036 54.124 8.236 -23.775 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1036 53.280 7.518 -22.696 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1037 48.550 7.808 -28.608 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1037 48.586 8.113 -27.673 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1037 49.377 7.294 -28.723 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1038 40.761 5.561 -19.053 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1038 40.099 6.135 -19.455 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1038 40.254 4.761 -18.786 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1039 50.885 9.196 -24.463 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1039 50.424 9.345 -23.617 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1039 51.794 8.961 -24.200 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1040 43.071 8.625 -25.325 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1040 43.737 8.923 -25.966 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1040 43.583 8.453 -24.504 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1041 42.870 11.054 -29.644 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1041 42.369 10.230 -29.840 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1041 43.244 11.319 -30.521 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1042 45.970 7.323 -29.389 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1042 45.374 7.975 -28.958 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1042 46.866 7.578 -29.078 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1043 47.713 8.052 -23.500 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1043 48.382 8.483 -22.938 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1043 47.055 7.722 -22.876 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1044 48.641 8.761 -26.022 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1044 48.152 8.418 -25.242 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1044 49.520 9.011 -25.656 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1045 38.320 5.975 -26.138 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1045 39.188 6.381 -25.935 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1045 38.080 6.357 -27.009 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1046 38.684 6.531 -39.068 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1046 37.829 7.005 -39.074 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1046 38.752 6.182 -38.169 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1047 48.161 7.430 -37.399 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1047 47.507 6.860 -36.920 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1047 47.759 7.553 -38.292 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1048 50.620 6.967 -34.175 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1048 51.060 7.198 -35.016 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1048 49.800 7.508 -34.183 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1049 40.237 3.194 -42.749 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1049 39.922 4.054 -42.398 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1049 40.575 2.719 -41.949 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1050 43.932 2.357 -8.942 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1050 44.217 1.578 -9.442 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1050 42.970 2.436 -9.153 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1051 52.429 -6.163 -9.284 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1051 52.784 -6.570 -8.470 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1051 53.207 -6.008 -9.826 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1052 40.851 2.172 -6.017 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1052 40.804 1.439 -5.372 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1052 41.813 2.291 -6.167 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1053 42.306 4.976 -15.468 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1053 42.632 5.626 -16.096 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1053 43.021 4.914 -14.794 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1054 54.063 -7.239 -7.239 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1054 53.888 -7.919 -6.569 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1054 54.693 -6.623 -6.796 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1055 43.672 1.963 -6.230 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1055 43.819 2.121 -7.184 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1055 44.479 1.497 -5.939 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1056 36.736 0.011 -9.633 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1056 37.671 0.303 -9.690 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1056 36.237 0.715 -10.089 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1057 41.321 2.569 -9.600 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1057 40.860 3.212 -9.021 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1057 40.722 1.782 -9.606 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1058 38.597 5.297 -11.535 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1058 38.202 4.407 -11.585 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1058 39.400 5.232 -12.085 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1059 55.873 6.499 -2.015 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1059 56.166 6.792 -2.899 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1059 55.144 7.104 -1.792 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1060 44.936 6.548 -7.649 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1060 45.019 7.517 -7.737 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1060 45.749 6.281 -7.171 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1061 42.566 4.182 -11.509 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1061 41.839 4.348 -12.146 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1061 42.166 3.582 -10.846 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1062 38.434 1.359 -7.082 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1062 38.776 0.933 -7.910 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1062 39.244 1.664 -6.626 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1063 47.473 3.059 -5.331 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1063 46.972 2.218 -5.230 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1063 47.577 3.390 -4.404 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1064 53.783 10.299 -2.579 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1064 54.260 10.169 -3.428 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1064 54.283 11.024 -2.135 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1065 38.613 -1.040 -3.826 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1065 39.508 -0.655 -3.952 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1065 38.591 -1.806 -4.443 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1066 47.537 2.513 -8.043 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1066 47.540 1.542 -8.156 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1066 47.647 2.642 -7.081 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1067 41.117 -2.031 -6.446 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1067 40.329 -2.019 -7.042 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1067 41.845 -1.694 -7.016 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1068 41.196 -0.140 -4.532 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1068 42.137 0.062 -4.438 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1068 41.172 -0.877 -5.189 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1069 46.782 7.551 -9.781 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1069 47.488 7.784 -9.147 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1069 46.274 8.383 -9.887 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1070 45.861 7.002 -12.429 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1070 45.596 7.895 -12.722 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1070 46.293 7.152 -11.569 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1071 41.287 -6.035 -4.649 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1071 41.611 -6.682 -5.328 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1071 41.166 -6.579 -3.850 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1072 39.968 4.132 -7.794 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1072 39.018 4.031 -8.009 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1072 40.117 3.504 -7.055 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1073 44.269 5.020 -13.553 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1073 44.872 5.708 -13.197 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1073 43.763 4.716 -12.769 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1074 52.603 7.564 -4.883 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1074 51.865 6.933 -4.734 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1074 53.052 7.611 -4.019 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1075 47.314 5.311 -6.989 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1075 47.337 4.599 -6.318 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1075 48.234 5.341 -7.339 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1076 35.029 -1.552 -1.744 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1076 35.843 -2.086 -1.857 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1076 34.967 -1.029 -2.573 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1077 50.134 3.715 -5.764 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1077 50.529 2.826 -5.648 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1077 49.181 3.564 -5.641 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1078 42.931 -3.907 -5.181 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1078 42.372 -4.681 -4.953 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1078 42.311 -3.285 -5.602 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1079 50.278 -0.562 -2.504 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1079 50.177 -1.424 -2.068 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1079 51.136 -0.627 -2.956 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1080 37.538 -2.862 -2.005 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1080 37.869 -2.213 -2.667 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1080 38.280 -2.979 -1.400 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1081 46.449 -1.799 -4.391 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1081 46.969 -1.918 -3.591 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1081 46.123 -2.699 -4.603 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1082 46.169 0.592 -5.731 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1082 46.491 0.280 -6.594 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1082 46.198 -0.214 -5.161 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1083 50.146 -5.978 -2.082 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1083 49.870 -5.076 -2.299 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1083 49.322 -6.508 -2.165 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1084 46.173 -7.164 -4.430 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1084 45.471 -7.741 -4.796 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1084 45.939 -6.269 -4.748 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1085 44.252 -9.137 -5.070 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1085 44.163 -10.026 -5.466 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1085 43.447 -8.654 -5.394 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1086 43.082 -9.192 -2.496 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1086 43.576 -9.058 -3.326 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1086 43.378 -10.074 -2.183 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1087 43.434 6.024 -18.870 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1087 42.461 6.135 -18.825 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1087 43.741 6.804 -19.346 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1088 38.187 0.792 -19.340 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1088 38.501 0.731 -20.272 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1088 38.423 -0.087 -18.947 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1089 53.299 5.016 -2.831 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1089 53.641 5.880 -2.539 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1089 54.101 4.476 -2.971 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1090 55.485 0.636 -4.366 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1090 55.418 -0.338 -4.425 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1090 56.443 0.805 -4.311 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1091 38.589 -5.720 -5.008 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1091 39.570 -5.751 -5.022 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1091 38.342 -6.360 -4.316 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1092 55.485 -7.287 -2.362 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1092 55.428 -7.640 -1.447 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1092 54.580 -6.951 -2.541 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1093 41.474 6.418 -7.591 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1093 42.340 6.148 -7.918 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1093 40.906 5.626 -7.725 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1094 47.197 9.057 -5.208 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1094 46.309 9.128 -4.824 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1094 47.740 8.661 -4.486 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1095 48.867 8.063 -3.298 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1095 49.447 8.312 -2.558 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1095 49.372 7.366 -3.770 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1096 53.998 -10.078 -5.513 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1096 54.232 -10.959 -5.877 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1096 53.110 -10.200 -5.157 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1097 43.857 8.666 -5.325 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1097 43.810 7.732 -5.097 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1097 42.937 8.890 -5.605 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1098 48.669 8.494 -7.526 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1098 49.547 8.901 -7.383 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1098 48.191 8.656 -6.689 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1099 53.639 8.197 -8.997 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1099 53.918 7.539 -8.331 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1099 53.811 9.054 -8.566 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1100 40.511 4.410 -13.392 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1100 41.022 4.614 -14.207 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1100 39.844 3.761 -13.684 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1101 37.368 2.800 -11.555 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1101 37.658 2.614 -12.470 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1101 36.487 2.372 -11.490 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1102 41.724 6.400 -22.207 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1102 41.114 5.694 -22.531 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1102 41.280 7.234 -22.472 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1103 48.498 -9.926 -2.634 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1103 48.345 -8.973 -2.461 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1103 49.443 -10.056 -2.447 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1104 53.355 7.704 -2.042 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1104 53.532 8.668 -2.143 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1104 52.430 7.664 -1.710 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1105 52.752 -6.781 -2.287 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1105 52.675 -7.543 -1.687 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1105 51.836 -6.439 -2.353 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1106 50.788 4.679 -1.996 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1106 50.713 3.700 -1.857 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1106 51.729 4.802 -2.281 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1107 50.905 2.028 -1.992 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1107 50.428 1.183 -2.141 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1107 51.834 1.817 -2.217 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1108 47.781 -7.320 -2.291 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1108 47.329 -7.251 -3.171 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1108 47.068 -7.200 -1.653 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1109 45.627 -4.396 -5.074 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1109 45.894 -4.329 -6.014 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1109 44.644 -4.298 -5.095 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1110 52.111 -8.899 -0.578 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1110 51.275 -8.732 -0.130 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1110 51.888 -9.573 -1.259 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1111 48.032 4.285 -2.974 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1111 47.951 5.230 -2.807 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1111 48.892 4.048 -2.592 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1112 50.770 7.326 -1.204 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1112 50.715 6.370 -1.427 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1112 50.476 7.372 -0.290 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1113 50.371 6.028 -4.381 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1113 50.307 5.324 -5.069 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1113 50.520 5.530 -3.553 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1114 53.585 1.236 -2.511 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1114 54.188 1.216 -3.290 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1114 54.150 1.568 -1.784 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1115 51.203 -3.178 -2.016 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1115 51.701 -3.975 -1.798 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1115 51.874 -2.575 -2.408 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1116 54.657 -8.091 0.153 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1116 53.821 -8.537 -0.089 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1116 54.445 -7.611 0.957 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1117 36.204 -5.290 -2.511 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1117 36.925 -5.952 -2.590 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1117 36.667 -4.460 -2.268 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1118 40.600 -8.329 -3.181 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1118 40.646 -8.865 -4.001 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1118 41.415 -8.584 -2.689 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1119 46.407 13.882 -29.034 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1119 46.844 13.102 -29.452 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1119 47.011 14.609 -29.208 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1120 43.165 8.815 -32.334 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1120 43.688 8.001 -32.176 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1120 42.479 8.795 -31.638 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1121 41.370 8.755 -30.243 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1121 40.772 8.862 -29.470 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1121 40.980 8.011 -30.745 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1122 47.056 10.533 -27.491 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1122 46.665 11.227 -26.916 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1122 47.606 9.995 -26.881 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1123 48.622 9.286 -30.900 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1123 48.516 8.880 -30.013 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1123 48.563 8.525 -31.513 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1124 51.753 16.264 -20.067 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1124 52.342 15.766 -20.688 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1124 50.935 16.377 -20.563 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1125 37.878 7.306 -28.538 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1125 37.755 7.369 -29.514 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1125 38.491 8.044 -28.330 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1126 51.956 16.122 -15.773 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1126 51.802 16.939 -16.297 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1126 52.265 15.473 -16.439 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1127 45.574 12.685 -26.694 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1127 45.981 13.174 -27.437 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1127 44.626 12.875 -26.782 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1128 49.837 9.542 -21.896 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1128 49.569 10.349 -21.430 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1128 50.707 9.326 -21.510 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1129 49.773 12.092 -20.231 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1129 50.069 12.307 -19.318 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1129 48.940 12.566 -20.327 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1130 43.391 13.447 -28.283 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1130 44.114 13.891 -28.750 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1130 43.267 12.612 -28.771 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1131 45.586 6.707 -21.156 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1131 46.006 6.293 -20.396 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1131 45.216 5.947 -21.670 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1132 53.499 10.701 -18.231 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1132 53.186 10.653 -19.146 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1132 53.742 9.780 -18.016 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1133 51.774 17.950 -17.836 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1133 51.783 17.393 -18.643 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1133 51.868 18.846 -18.167 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1134 53.046 14.660 -21.830 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1134 52.830 13.715 -21.640 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1134 53.571 14.623 -22.635 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1135 44.632 9.409 -28.205 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1135 45.457 9.902 -28.015 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1135 44.065 10.057 -28.668 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1136 47.781 11.680 -29.875 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1136 47.581 11.248 -29.016 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1136 48.043 10.939 -30.457 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1137 51.241 9.985 -31.032 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1137 50.268 9.851 -31.019 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1137 51.351 10.928 -30.891 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1138 39.821 9.191 -28.058 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1138 40.060 8.738 -27.221 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1138 40.024 10.141 -27.885 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1139 43.850 11.430 -32.133 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1139 44.413 11.711 -32.857 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1139 43.655 10.485 -32.330 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1140 47.360 5.062 -30.067 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1140 46.740 4.601 -30.675 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1140 46.802 5.734 -29.625 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1141 43.805 8.070 -22.755 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1141 43.117 7.421 -22.506 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1141 44.570 7.828 -22.199 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1142 50.216 10.993 -12.518 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1142 51.190 11.010 -12.400 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1142 50.087 10.528 -13.349 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1143 56.176 12.803 -4.463 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1143 55.799 13.291 -5.234 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1143 57.146 12.866 -4.595 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1144 53.265 8.410 -11.780 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1144 53.318 8.311 -10.805 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1144 52.995 9.341 -11.912 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1145 52.955 11.125 -12.160 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1145 53.409 11.582 -11.436 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1145 53.152 11.685 -12.954 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1146 45.362 9.931 -10.123 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1146 45.636 10.880 -10.182 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1146 45.168 9.798 -9.168 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1147 41.373 8.823 -6.403 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1147 41.377 7.942 -6.851 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1147 40.562 9.235 -6.703 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1148 49.916 10.764 -4.740 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1148 48.984 10.555 -4.602 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1148 50.289 10.817 -3.830 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1149 48.666 13.035 -15.712 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1149 48.861 13.837 -15.185 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1149 48.000 12.553 -15.180 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1150 49.789 15.211 -14.355 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1150 50.457 15.632 -14.938 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1150 50.310 14.836 -13.634 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1151 49.736 15.148 -10.423 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1151 49.265 15.748 -11.045 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1151 49.295 14.283 -10.541 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1152 47.822 19.273 -13.141 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1152 46.933 19.393 -12.794 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1152 48.069 20.142 -13.470 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1153 52.024 14.798 -9.063 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1153 52.321 15.627 -8.624 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1153 51.172 15.046 -9.501 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1154 50.563 12.815 -17.666 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1154 49.821 12.956 -17.024 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1154 51.124 12.153 -17.236 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1155 53.249 15.516 -13.411 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1155 53.673 16.358 -13.144 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1155 52.784 15.740 -14.246 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1156 55.619 15.309 -16.086 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1156 55.218 15.662 -16.887 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1156 55.403 14.357 -16.112 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1157 51.247 9.278 -6.561 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1157 51.692 8.603 -6.005 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1157 50.805 9.873 -5.910 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1158 48.591 16.725 -12.363 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1158 48.839 16.279 -13.194 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1158 48.367 17.637 -12.638 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1159 48.915 12.465 -10.617 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1159 49.168 11.868 -9.903 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1159 49.304 12.050 -11.424 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1160 57.555 12.434 -9.159 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1160 57.868 13.254 -8.762 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1160 57.602 11.777 -8.423 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1161 45.388 9.306 -7.459 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1161 46.227 9.408 -6.980 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1161 44.713 9.239 -6.745 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1162 56.518 17.307 -14.437 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1162 56.236 16.525 -14.968 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1162 57.475 17.322 -14.529 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1163 52.571 14.622 -17.970 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1163 52.402 15.224 -18.723 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1163 51.801 14.010 -17.977 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1164 53.437 12.824 -14.169 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1164 53.806 12.794 -15.077 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1164 53.470 13.770 -13.928 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1165 53.759 10.333 -7.142 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1165 52.886 9.905 -7.017 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1165 53.541 11.279 -7.284 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1166 53.500 16.681 -7.758 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1166 54.280 16.251 -8.162 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1166 53.790 16.910 -6.870 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1167 55.367 12.357 -1.848 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1167 55.944 12.876 -1.284 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1167 55.663 12.572 -2.760 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1168 54.309 12.913 -16.762 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1168 54.215 12.055 -17.232 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1168 53.774 13.537 -17.299 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1169 55.346 10.174 -4.863 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1169 55.628 11.113 -4.816 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1169 54.783 10.131 -5.667 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1170 46.199 12.483 -10.418 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1170 47.166 12.513 -10.582 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1170 45.936 13.406 -10.387 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1171 40.855 8.760 -23.286 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1171 40.530 9.645 -23.084 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1171 41.751 8.909 -23.645 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1172 45.095 9.672 -12.835 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1172 44.157 9.821 -12.999 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1172 45.194 9.809 -11.864 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1173 52.689 12.856 -7.293 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1173 52.429 13.517 -7.979 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1173 51.898 12.758 -6.748 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1174 46.899 11.219 -14.422 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1174 46.286 10.905 -13.732 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1174 47.052 10.445 -14.969 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1175 51.113 10.780 -2.276 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1175 52.057 10.596 -2.478 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1175 51.134 11.173 -1.400 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1176 57.473 -17.983 -41.458 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1176 57.337 -18.849 -41.896 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1176 57.330 -18.177 -40.513 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1177 59.668 -10.483 -41.247 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1177 59.865 -10.519 -42.189 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1177 59.425 -11.412 -41.018 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1178 53.445 -16.587 -46.129 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1178 52.975 -16.511 -46.993 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1178 52.783 -16.994 -45.539 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1179 51.922 -12.805 -45.525 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1179 52.813 -13.212 -45.479 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1179 51.833 -12.530 -46.460 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1180 53.951 -10.725 -39.078 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1180 53.467 -10.846 -38.239 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1180 54.881 -10.949 -38.853 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1181 58.746 -12.928 -40.528 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1181 58.360 -13.758 -40.888 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1181 58.774 -13.076 -39.570 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1182 55.045 -18.836 -45.624 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1182 54.561 -18.103 -46.047 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1182 55.488 -18.417 -44.861 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1183 54.426 -14.010 -45.664 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1183 54.202 -14.941 -45.890 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1183 54.886 -14.080 -44.798 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1184 54.830 -8.577 -40.479 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1184 54.297 -9.239 -39.984 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1184 55.494 -9.117 -40.954 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1185 59.537 -7.691 -40.354 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1185 58.977 -7.152 -40.951 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1185 59.618 -8.547 -40.810 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1186 55.579 -17.266 -43.437 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1186 56.234 -17.445 -42.733 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1186 55.571 -16.292 -43.512 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1187 53.622 -10.068 -49.672 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1187 52.939 -10.706 -49.406 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1187 54.362 -10.257 -49.084 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1188 54.521 -11.660 -47.173 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1188 53.610 -11.699 -47.533 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1188 54.653 -12.542 -46.763 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1189 56.170 -20.368 -41.695 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1189 56.152 -20.134 -40.745 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1189 55.255 -20.569 -41.908 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1190 56.555 -11.172 -38.332 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1190 57.114 -11.844 -37.893 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1190 57.164 -10.432 -38.492 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1191 55.249 -8.092 -43.276 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1191 55.843 -8.765 -42.889 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1191 54.702 -7.806 -42.529 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1192 55.761 -10.703 -44.540 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1192 55.510 -11.162 -45.354 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1192 55.397 -9.807 -44.649 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1193 58.754 -17.568 -27.187 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1193 59.113 -17.547 -28.100 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1193 57.912 -17.067 -27.246 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1194 62.659 -17.769 -29.917 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1194 63.614 -17.801 -29.842 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1194 62.485 -16.960 -30.455 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1195 54.604 -21.058 -37.901 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1195 54.497 -20.362 -37.206 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1195 55.351 -20.739 -38.437 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1196 56.085 -20.735 -28.575 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1196 56.739 -20.725 -27.834 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1196 56.615 -20.542 -29.355 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1197 57.976 -20.203 -26.676 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1197 57.656 -20.199 -25.756 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1197 58.411 -19.330 -26.780 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1198 55.657 -13.839 -27.913 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1198 55.160 -13.897 -27.074 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1198 56.198 -14.647 -27.917 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1199 59.928 -17.778 -29.711 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1199 59.818 -18.047 -30.626 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1199 60.897 -17.852 -29.556 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1200 61.761 -15.579 -31.210 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1200 60.984 -15.410 -30.666 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1200 61.830 -14.781 -31.780 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1201 57.493 -12.142 -22.445 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1201 56.967 -12.943 -22.669 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1201 57.491 -12.126 -21.462 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1202 56.248 -16.383 -26.945 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1202 55.683 -15.868 -26.325 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1202 55.840 -17.277 -26.945 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1203 57.586 -11.275 -25.026 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1203 57.525 -11.561 -24.090 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1203 57.533 -10.306 -24.983 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1204 54.498 -18.868 -36.342 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1204 55.052 -18.188 -36.770 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1204 54.154 -18.430 -35.544 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1205 56.389 -19.566 -24.396 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1205 56.058 -19.025 -25.137 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1205 55.593 -20.019 -24.062 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1206 58.838 -21.630 -34.885 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1206 57.974 -22.048 -34.660 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1206 59.406 -21.854 -34.147 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1207 56.656 -19.411 -39.055 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1207 57.319 -19.868 -38.481 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1207 56.426 -18.598 -38.553 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1208 58.276 -20.855 -37.442 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1208 58.468 -20.919 -36.480 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1208 58.557 -21.703 -37.792 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1209 57.521 -13.990 -25.437 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1209 57.565 -13.011 -25.485 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1209 56.565 -14.186 -25.433 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1210 59.662 -15.706 -25.310 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1210 58.978 -15.028 -25.513 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1210 59.466 -16.436 -25.929 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1211 61.369 -13.166 -32.439 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1211 61.117 -12.790 -33.294 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1211 61.245 -12.430 -31.806 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1212 53.657 -17.433 -34.052 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1212 52.792 -17.916 -34.049 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1212 53.399 -16.490 -34.079 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1213 56.256 -16.639 -34.860 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1213 55.624 -17.262 -34.466 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1213 55.870 -15.758 -34.669 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1214 61.098 -10.247 -26.513 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1214 60.419 -9.568 -26.706 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1214 61.365 -10.061 -25.596 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1215 60.971 -10.958 -30.688 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1215 61.221 -11.505 -29.904 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1215 60.639 -10.120 -30.293 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1216 59.706 -11.820 -34.585 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1216 60.281 -11.071 -34.302 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1216 59.077 -11.917 -33.865 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1217 61.230 -10.059 -33.230 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1217 61.132 -10.363 -32.299 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1217 61.884 -9.357 -33.180 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1218 58.754 -12.297 -37.173 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1218 59.067 -11.461 -37.577 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1218 59.137 -12.283 -36.270 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1219 54.977 -15.727 -40.411 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1219 54.676 -16.666 -40.384 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1219 54.754 -15.381 -39.527 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1220 57.409 -12.429 -19.745 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1220 58.239 -12.749 -19.348 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1220 56.754 -13.113 -19.507 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1221 57.539 -15.258 -41.352 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1221 57.872 -16.172 -41.478 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1221 56.690 -15.381 -40.873 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1222 58.260 -15.927 -22.996 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1222 58.779 -15.860 -23.832 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1222 57.502 -15.317 -23.136 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1223 56.241 -17.081 -37.559 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1223 56.592 -16.962 -36.648 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1223 55.726 -16.268 -37.721 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1224 57.661 -18.473 -22.147 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1224 57.296 -18.917 -22.941 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1224 57.848 -17.561 -22.451 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1225 55.102 -18.812 -26.837 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1225 54.157 -18.907 -26.604 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1225 55.280 -19.568 -27.430 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1226 52.432 -19.264 -26.205 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1226 52.804 -19.763 -25.444 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1226 51.893 -18.563 -25.785 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1227 56.542 -22.870 -34.154 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1227 55.982 -23.066 -33.399 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1227 55.947 -22.997 -34.933 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1228 61.725 -6.791 -24.702 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1228 61.009 -6.342 -25.202 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1228 61.741 -6.326 -23.839 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1229 61.789 -9.413 -23.959 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1229 61.746 -8.466 -24.231 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1229 62.705 -9.539 -23.692 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1230 62.007 -6.598 -28.864 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1230 62.077 -5.637 -28.733 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1230 62.626 -6.973 -28.200 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1231 61.383 -12.234 -28.323 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1231 61.010 -12.959 -27.816 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1231 61.361 -11.469 -27.700 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1232 50.595 -9.302 -38.276 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1232 50.065 -9.848 -37.689 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1232 51.510 -9.541 -38.060 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1233 58.053 -13.301 -9.916 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1233 58.549 -12.472 -9.852 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1233 58.527 -13.814 -10.612 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1234 56.283 -18.704 -15.168 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1234 56.285 -19.400 -15.867 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1234 56.918 -18.035 -15.503 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1235 54.731 -16.375 -14.868 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1235 55.220 -17.216 -14.776 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1235 54.106 -16.544 -15.617 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1236 59.582 -12.809 -14.080 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1236 59.554 -11.865 -14.334 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1236 60.430 -13.126 -14.451 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1237 61.849 -15.623 -11.431 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1237 62.335 -14.901 -11.876 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1237 60.919 -15.369 -11.520 1.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1238 62.156 -10.708 -13.262 1.00 0.00 WAT1 ATOM 5756 H1 TIP3 1238 62.264 -9.984 -13.914 1.00 0.00 WAT1 ATOM 5757 H2 TIP3 1238 61.695 -10.281 -12.514 1.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1239 57.908 -16.774 -16.226 1.00 0.00 WAT1 ATOM 5759 H1 TIP3 1239 57.445 -15.908 -16.212 1.00 0.00 WAT1 ATOM 5760 H2 TIP3 1239 58.193 -16.876 -17.158 1.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1240 58.022 -16.579 -13.459 1.00 0.00 WAT1 ATOM 5762 H1 TIP3 1240 58.167 -16.643 -14.423 1.00 0.00 WAT1 ATOM 5763 H2 TIP3 1240 57.712 -17.455 -13.209 1.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1241 59.235 -14.589 -12.010 1.00 0.00 WAT1 ATOM 5765 H1 TIP3 1241 58.816 -15.342 -12.485 1.00 0.00 WAT1 ATOM 5766 H2 TIP3 1241 59.474 -13.959 -12.722 1.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1242 56.152 -14.772 -18.889 1.00 0.00 WAT1 ATOM 5768 H1 TIP3 1242 56.099 -14.597 -17.925 1.00 0.00 WAT1 ATOM 5769 H2 TIP3 1242 56.822 -15.478 -18.967 1.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1243 59.733 -10.338 -15.363 1.00 0.00 WAT1 ATOM 5771 H1 TIP3 1243 60.456 -9.713 -15.153 1.00 0.00 WAT1 ATOM 5772 H2 TIP3 1243 60.014 -10.753 -16.207 1.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1244 54.291 -12.621 -6.685 1.00 0.00 WAT1 ATOM 5774 H1 TIP3 1244 53.643 -13.353 -6.648 1.00 0.00 WAT1 ATOM 5775 H2 TIP3 1244 55.089 -13.030 -7.099 1.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1245 59.989 -15.781 -20.962 1.00 0.00 WAT1 ATOM 5777 H1 TIP3 1245 59.332 -15.757 -21.702 1.00 0.00 WAT1 ATOM 5778 H2 TIP3 1245 60.820 -16.008 -21.395 1.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1246 62.021 -12.902 -15.531 1.00 0.00 WAT1 ATOM 5780 H1 TIP3 1246 61.619 -12.650 -16.389 1.00 0.00 WAT1 ATOM 5781 H2 TIP3 1246 62.370 -12.069 -15.180 1.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1247 56.346 -14.538 -16.137 1.00 0.00 WAT1 ATOM 5783 H1 TIP3 1247 56.526 -13.878 -15.433 1.00 0.00 WAT1 ATOM 5784 H2 TIP3 1247 55.650 -15.113 -15.751 1.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1248 60.590 -11.836 -17.605 1.00 0.00 WAT1 ATOM 5786 H1 TIP3 1248 60.747 -11.283 -18.402 1.00 0.00 WAT1 ATOM 5787 H2 TIP3 1248 60.187 -12.657 -17.966 1.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1249 62.698 -13.444 -12.906 1.00 0.00 WAT1 ATOM 5789 H1 TIP3 1249 62.616 -13.612 -13.860 1.00 0.00 WAT1 ATOM 5790 H2 TIP3 1249 62.560 -12.481 -12.822 1.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1250 56.869 -18.943 -19.622 1.00 0.00 WAT1 ATOM 5792 H1 TIP3 1250 57.266 -18.911 -20.529 1.00 0.00 WAT1 ATOM 5793 H2 TIP3 1250 55.898 -18.886 -19.790 1.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1251 59.470 -9.958 -22.581 1.00 0.00 WAT1 ATOM 5795 H1 TIP3 1251 59.142 -10.858 -22.767 1.00 0.00 WAT1 ATOM 5796 H2 TIP3 1251 60.306 -9.892 -23.097 1.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1252 58.258 -16.668 -18.973 1.00 0.00 WAT1 ATOM 5798 H1 TIP3 1252 58.881 -16.513 -19.719 1.00 0.00 WAT1 ATOM 5799 H2 TIP3 1252 57.799 -17.507 -19.214 1.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1253 59.531 -14.034 -18.845 1.00 0.00 WAT1 ATOM 5801 H1 TIP3 1253 59.109 -14.776 -18.388 1.00 0.00 WAT1 ATOM 5802 H2 TIP3 1253 59.838 -14.422 -19.691 1.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1254 54.573 -14.539 -12.801 1.00 0.00 WAT1 ATOM 5804 H1 TIP3 1254 54.536 -15.221 -13.510 1.00 0.00 WAT1 ATOM 5805 H2 TIP3 1254 55.354 -13.996 -13.038 1.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1255 53.105 -22.971 -13.307 1.00 0.00 WAT1 ATOM 5807 H1 TIP3 1255 53.034 -22.480 -12.468 1.00 0.00 WAT1 ATOM 5808 H2 TIP3 1255 53.817 -22.514 -13.787 1.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1256 56.191 -13.913 -8.101 1.00 0.00 WAT1 ATOM 5810 H1 TIP3 1256 56.558 -14.731 -7.756 1.00 0.00 WAT1 ATOM 5811 H2 TIP3 1256 56.837 -13.635 -8.793 1.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1257 58.474 -10.922 -4.493 1.00 0.00 WAT1 ATOM 5813 H1 TIP3 1257 57.729 -10.319 -4.322 1.00 0.00 WAT1 ATOM 5814 H2 TIP3 1257 58.809 -10.647 -5.345 1.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1258 57.625 -7.775 -6.701 1.00 0.00 WAT1 ATOM 5816 H1 TIP3 1258 57.111 -6.959 -6.536 1.00 0.00 WAT1 ATOM 5817 H2 TIP3 1258 57.375 -8.362 -5.958 1.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1259 57.665 -10.393 -9.519 1.00 0.00 WAT1 ATOM 5819 H1 TIP3 1259 57.281 -9.817 -8.842 1.00 0.00 WAT1 ATOM 5820 H2 TIP3 1259 56.916 -10.959 -9.805 1.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1260 57.183 -10.386 -14.359 1.00 0.00 WAT1 ATOM 5822 H1 TIP3 1260 57.923 -10.321 -14.999 1.00 0.00 WAT1 ATOM 5823 H2 TIP3 1260 57.607 -10.198 -13.493 1.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1261 61.911 -8.603 -15.001 1.00 0.00 WAT1 ATOM 5825 H1 TIP3 1261 61.820 -8.462 -15.975 1.00 0.00 WAT1 ATOM 5826 H2 TIP3 1261 61.890 -7.697 -14.630 1.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1262 59.102 0.544 -39.417 1.00 0.00 WAT1 ATOM 5828 H1 TIP3 1262 59.125 1.323 -38.825 1.00 0.00 WAT1 ATOM 5829 H2 TIP3 1262 59.985 0.122 -39.292 1.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1263 54.745 3.433 -43.186 1.00 0.00 WAT1 ATOM 5831 H1 TIP3 1263 54.524 3.717 -44.106 1.00 0.00 WAT1 ATOM 5832 H2 TIP3 1263 55.666 3.688 -43.077 1.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1264 57.037 -2.314 -43.497 1.00 0.00 WAT1 ATOM 5834 H1 TIP3 1264 57.103 -1.573 -42.864 1.00 0.00 WAT1 ATOM 5835 H2 TIP3 1264 57.209 -3.099 -42.958 1.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1265 56.907 -5.528 -46.927 1.00 0.00 WAT1 ATOM 5837 H1 TIP3 1265 56.874 -4.569 -46.748 1.00 0.00 WAT1 ATOM 5838 H2 TIP3 1265 57.059 -5.928 -46.040 1.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1266 57.340 -0.679 -41.188 1.00 0.00 WAT1 ATOM 5840 H1 TIP3 1266 56.564 -0.168 -40.869 1.00 0.00 WAT1 ATOM 5841 H2 TIP3 1266 58.104 -0.249 -40.742 1.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1267 57.679 -6.025 -41.539 1.00 0.00 WAT1 ATOM 5843 H1 TIP3 1267 57.736 -5.055 -41.395 1.00 0.00 WAT1 ATOM 5844 H2 TIP3 1267 57.072 -6.332 -40.835 1.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1268 56.541 -10.173 -41.988 1.00 0.00 WAT1 ATOM 5846 H1 TIP3 1268 57.094 -10.825 -41.538 1.00 0.00 WAT1 ATOM 5847 H2 TIP3 1268 56.298 -10.608 -42.839 1.00 0.00 WAT1 ATOM 5848 OH2 TIP3 1269 56.063 3.527 -39.386 1.00 0.00 WAT1 ATOM 5849 H1 TIP3 1269 56.064 3.220 -38.455 1.00 0.00 WAT1 ATOM 5850 H2 TIP3 1269 55.885 2.720 -39.899 1.00 0.00 WAT1 ATOM 5851 OH2 TIP3 1270 55.501 0.727 -39.717 1.00 0.00 WAT1 ATOM 5852 H1 TIP3 1270 56.017 0.310 -38.995 1.00 0.00 WAT1 ATOM 5853 H2 TIP3 1270 54.648 0.968 -39.290 1.00 0.00 WAT1 ATOM 5854 OH2 TIP3 1271 57.106 -0.671 -37.935 1.00 0.00 WAT1 ATOM 5855 H1 TIP3 1271 57.311 -1.625 -38.045 1.00 0.00 WAT1 ATOM 5856 H2 TIP3 1271 57.856 -0.216 -38.368 1.00 0.00 WAT1 ATOM 5857 OH2 TIP3 1272 57.801 -3.297 -37.964 1.00 0.00 WAT1 ATOM 5858 H1 TIP3 1272 57.659 -3.191 -37.002 1.00 0.00 WAT1 ATOM 5859 H2 TIP3 1272 58.215 -4.188 -38.048 1.00 0.00 WAT1 ATOM 5860 OH2 TIP3 1273 57.117 -6.346 -44.308 1.00 0.00 WAT1 ATOM 5861 H1 TIP3 1273 56.370 -6.961 -44.160 1.00 0.00 WAT1 ATOM 5862 H2 TIP3 1273 57.469 -6.186 -43.413 1.00 0.00 WAT1 ATOM 5863 OH2 TIP3 1274 56.675 -2.846 -46.212 1.00 0.00 WAT1 ATOM 5864 H1 TIP3 1274 56.625 -2.730 -45.235 1.00 0.00 WAT1 ATOM 5865 H2 TIP3 1274 57.372 -2.239 -46.483 1.00 0.00 WAT1 ATOM 5866 OH2 TIP3 1275 56.177 -6.587 -39.255 1.00 0.00 WAT1 ATOM 5867 H1 TIP3 1275 55.625 -7.306 -39.640 1.00 0.00 WAT1 ATOM 5868 H2 TIP3 1275 55.590 -6.169 -38.584 1.00 0.00 WAT1 ATOM 5869 OH2 TIP3 1276 59.185 -9.953 -38.559 1.00 0.00 WAT1 ATOM 5870 H1 TIP3 1276 59.320 -8.995 -38.519 1.00 0.00 WAT1 ATOM 5871 H2 TIP3 1276 59.443 -10.189 -39.472 1.00 0.00 WAT1 ATOM 5872 OH2 TIP3 1277 58.010 0.580 -27.289 1.00 0.00 WAT1 ATOM 5873 H1 TIP3 1277 57.411 0.811 -26.559 1.00 0.00 WAT1 ATOM 5874 H2 TIP3 1277 57.756 1.194 -28.014 1.00 0.00 WAT1 ATOM 5875 OH2 TIP3 1278 58.550 -3.832 -27.896 1.00 0.00 WAT1 ATOM 5876 H1 TIP3 1278 58.227 -3.001 -28.314 1.00 0.00 WAT1 ATOM 5877 H2 TIP3 1278 58.115 -4.544 -28.414 1.00 0.00 WAT1 ATOM 5878 OH2 TIP3 1279 60.807 -2.581 -26.943 1.00 0.00 WAT1 ATOM 5879 H1 TIP3 1279 61.480 -3.023 -27.494 1.00 0.00 WAT1 ATOM 5880 H2 TIP3 1279 59.964 -2.978 -27.234 1.00 0.00 WAT1 ATOM 5881 OH2 TIP3 1280 59.442 0.069 -24.983 1.00 0.00 WAT1 ATOM 5882 H1 TIP3 1280 58.577 0.152 -24.543 1.00 0.00 WAT1 ATOM 5883 H2 TIP3 1280 59.223 0.051 -25.933 1.00 0.00 WAT1 ATOM 5884 OH2 TIP3 1281 56.438 2.977 -19.964 1.00 0.00 WAT1 ATOM 5885 H1 TIP3 1281 55.618 3.174 -20.472 1.00 0.00 WAT1 ATOM 5886 H2 TIP3 1281 57.139 2.924 -20.651 1.00 0.00 WAT1 ATOM 5887 OH2 TIP3 1282 54.424 4.063 -33.490 1.00 0.00 WAT1 ATOM 5888 H1 TIP3 1282 54.903 4.510 -34.226 1.00 0.00 WAT1 ATOM 5889 H2 TIP3 1282 53.498 4.290 -33.639 1.00 0.00 WAT1 ATOM 5890 OH2 TIP3 1283 59.227 -8.274 -26.784 1.00 0.00 WAT1 ATOM 5891 H1 TIP3 1283 58.649 -8.480 -26.025 1.00 0.00 WAT1 ATOM 5892 H2 TIP3 1283 59.418 -7.313 -26.683 1.00 0.00 WAT1 ATOM 5893 OH2 TIP3 1284 58.113 -1.471 -29.102 1.00 0.00 WAT1 ATOM 5894 H1 TIP3 1284 58.949 -1.626 -29.587 1.00 0.00 WAT1 ATOM 5895 H2 TIP3 1284 58.325 -0.739 -28.481 1.00 0.00 WAT1 ATOM 5896 OH2 TIP3 1285 60.898 -2.267 -24.239 1.00 0.00 WAT1 ATOM 5897 H1 TIP3 1285 60.992 -2.344 -25.217 1.00 0.00 WAT1 ATOM 5898 H2 TIP3 1285 60.382 -1.439 -24.117 1.00 0.00 WAT1 ATOM 5899 OH2 TIP3 1286 55.494 3.507 -23.698 1.00 0.00 WAT1 ATOM 5900 H1 TIP3 1286 55.143 3.294 -22.807 1.00 0.00 WAT1 ATOM 5901 H2 TIP3 1286 55.939 2.678 -23.988 1.00 0.00 WAT1 ATOM 5902 OH2 TIP3 1287 57.033 5.265 -18.466 1.00 0.00 WAT1 ATOM 5903 H1 TIP3 1287 56.555 5.862 -19.088 1.00 0.00 WAT1 ATOM 5904 H2 TIP3 1287 56.984 4.390 -18.896 1.00 0.00 WAT1 ATOM 5905 OH2 TIP3 1288 58.977 2.377 -37.301 1.00 0.00 WAT1 ATOM 5906 H1 TIP3 1288 59.272 3.310 -37.320 1.00 0.00 WAT1 ATOM 5907 H2 TIP3 1288 58.011 2.436 -37.121 1.00 0.00 WAT1 ATOM 5908 OH2 TIP3 1289 53.906 2.493 -29.386 1.00 0.00 WAT1 ATOM 5909 H1 TIP3 1289 54.548 2.940 -29.976 1.00 0.00 WAT1 ATOM 5910 H2 TIP3 1289 54.299 1.619 -29.230 1.00 0.00 WAT1 ATOM 5911 OH2 TIP3 1290 62.036 -5.922 -22.013 1.00 0.00 WAT1 ATOM 5912 H1 TIP3 1290 62.034 -4.968 -21.805 1.00 0.00 WAT1 ATOM 5913 H2 TIP3 1290 61.287 -6.271 -21.511 1.00 0.00 WAT1 ATOM 5914 OH2 TIP3 1291 59.628 -4.632 -23.658 1.00 0.00 WAT1 ATOM 5915 H1 TIP3 1291 59.568 -4.697 -22.687 1.00 0.00 WAT1 ATOM 5916 H2 TIP3 1291 60.003 -3.740 -23.816 1.00 0.00 WAT1 ATOM 5917 OH2 TIP3 1292 60.130 -2.729 -30.617 1.00 0.00 WAT1 ATOM 5918 H1 TIP3 1292 60.779 -3.362 -30.290 1.00 0.00 WAT1 ATOM 5919 H2 TIP3 1292 59.389 -3.289 -30.941 1.00 0.00 WAT1 ATOM 5920 OH2 TIP3 1293 63.784 -4.266 -23.522 1.00 0.00 WAT1 ATOM 5921 H1 TIP3 1293 63.288 -3.607 -23.000 1.00 0.00 WAT1 ATOM 5922 H2 TIP3 1293 63.607 -5.106 -23.069 1.00 0.00 WAT1 ATOM 5923 OH2 TIP3 1294 57.986 -4.169 -31.456 1.00 0.00 WAT1 ATOM 5924 H1 TIP3 1294 57.719 -4.814 -30.773 1.00 0.00 WAT1 ATOM 5925 H2 TIP3 1294 57.231 -4.160 -32.087 1.00 0.00 WAT1 ATOM 5926 OH2 TIP3 1295 61.402 -0.663 -38.572 1.00 0.00 WAT1 ATOM 5927 H1 TIP3 1295 61.874 -1.492 -38.467 1.00 0.00 WAT1 ATOM 5928 H2 TIP3 1295 61.046 -0.472 -37.673 1.00 0.00 WAT1 ATOM 5929 OH2 TIP3 1296 60.117 0.056 -36.305 1.00 0.00 WAT1 ATOM 5930 H1 TIP3 1296 59.700 -0.140 -35.461 1.00 0.00 WAT1 ATOM 5931 H2 TIP3 1296 59.726 0.916 -36.573 1.00 0.00 WAT1 ATOM 5932 OH2 TIP3 1297 56.104 -3.598 -33.375 1.00 0.00 WAT1 ATOM 5933 H1 TIP3 1297 55.171 -3.333 -33.462 1.00 0.00 WAT1 ATOM 5934 H2 TIP3 1297 56.531 -3.222 -34.174 1.00 0.00 WAT1 ATOM 5935 OH2 TIP3 1298 62.775 -3.912 -28.314 1.00 0.00 WAT1 ATOM 5936 H1 TIP3 1298 63.407 -3.548 -28.939 1.00 0.00 WAT1 ATOM 5937 H2 TIP3 1298 63.301 -4.043 -27.490 1.00 0.00 WAT1 ATOM 5938 OH2 TIP3 1299 57.047 1.842 -29.559 1.00 0.00 WAT1 ATOM 5939 H1 TIP3 1299 56.758 2.551 -30.162 1.00 0.00 WAT1 ATOM 5940 H2 TIP3 1299 56.493 1.073 -29.810 1.00 0.00 WAT1 ATOM 5941 OH2 TIP3 1300 61.447 -0.522 -20.687 1.00 0.00 WAT1 ATOM 5942 H1 TIP3 1300 60.698 -0.507 -21.319 1.00 0.00 WAT1 ATOM 5943 H2 TIP3 1300 61.913 -1.349 -20.896 1.00 0.00 WAT1 ATOM 5944 OH2 TIP3 1301 55.092 1.590 -34.671 1.00 0.00 WAT1 ATOM 5945 H1 TIP3 1301 54.934 2.319 -34.047 1.00 0.00 WAT1 ATOM 5946 H2 TIP3 1301 54.203 1.371 -35.012 1.00 0.00 WAT1 ATOM 5947 OH2 TIP3 1302 57.306 5.138 -24.951 1.00 0.00 WAT1 ATOM 5948 H1 TIP3 1302 58.107 4.585 -24.928 1.00 0.00 WAT1 ATOM 5949 H2 TIP3 1302 56.636 4.603 -24.483 1.00 0.00 WAT1 ATOM 5950 OH2 TIP3 1303 56.339 2.813 -36.746 1.00 0.00 WAT1 ATOM 5951 H1 TIP3 1303 55.952 2.163 -36.118 1.00 0.00 WAT1 ATOM 5952 H2 TIP3 1303 56.151 3.680 -36.333 1.00 0.00 WAT1 ATOM 5953 OH2 TIP3 1304 64.408 -4.288 -26.136 1.00 0.00 WAT1 ATOM 5954 H1 TIP3 1304 65.322 -4.019 -26.004 1.00 0.00 WAT1 ATOM 5955 H2 TIP3 1304 64.011 -4.240 -25.230 1.00 0.00 WAT1 ATOM 5956 OH2 TIP3 1305 58.620 -1.756 -33.158 1.00 0.00 WAT1 ATOM 5957 H1 TIP3 1305 58.235 -2.548 -32.743 1.00 0.00 WAT1 ATOM 5958 H2 TIP3 1305 59.264 -1.442 -32.510 1.00 0.00 WAT1 ATOM 5959 OH2 TIP3 1306 58.547 5.409 -34.831 1.00 0.00 WAT1 ATOM 5960 H1 TIP3 1306 59.169 5.013 -34.214 1.00 0.00 WAT1 ATOM 5961 H2 TIP3 1306 58.996 5.342 -35.701 1.00 0.00 WAT1 ATOM 5962 OH2 TIP3 1307 57.162 -2.139 -35.458 1.00 0.00 WAT1 ATOM 5963 H1 TIP3 1307 57.733 -1.797 -34.735 1.00 0.00 WAT1 ATOM 5964 H2 TIP3 1307 57.007 -1.363 -36.030 1.00 0.00 WAT1 ATOM 5965 OH2 TIP3 1308 55.647 3.788 -31.061 1.00 0.00 WAT1 ATOM 5966 H1 TIP3 1308 55.857 4.708 -30.859 1.00 0.00 WAT1 ATOM 5967 H2 TIP3 1308 55.260 3.822 -31.967 1.00 0.00 WAT1 ATOM 5968 OH2 TIP3 1309 52.484 9.402 -20.798 1.00 0.00 WAT1 ATOM 5969 H1 TIP3 1309 52.924 9.175 -21.649 1.00 0.00 WAT1 ATOM 5970 H2 TIP3 1309 52.381 8.530 -20.345 1.00 0.00 WAT1 ATOM 5971 OH2 TIP3 1310 62.809 6.844 -17.571 1.00 0.00 WAT1 ATOM 5972 H1 TIP3 1310 62.271 6.296 -18.191 1.00 0.00 WAT1 ATOM 5973 H2 TIP3 1310 63.464 7.262 -18.133 1.00 0.00 WAT1 ATOM 5974 OH2 TIP3 1311 58.475 2.269 -21.664 1.00 0.00 WAT1 ATOM 5975 H1 TIP3 1311 58.920 2.672 -22.436 1.00 0.00 WAT1 ATOM 5976 H2 TIP3 1311 58.077 1.443 -22.025 1.00 0.00 WAT1 ATOM 5977 OH2 TIP3 1312 59.231 -1.105 -22.179 1.00 0.00 WAT1 ATOM 5978 H1 TIP3 1312 58.331 -0.748 -22.356 1.00 0.00 WAT1 ATOM 5979 H2 TIP3 1312 59.091 -1.786 -21.494 1.00 0.00 WAT1 ATOM 5980 OH2 TIP3 1313 59.570 -5.660 -26.126 1.00 0.00 WAT1 ATOM 5981 H1 TIP3 1313 59.428 -5.271 -25.230 1.00 0.00 WAT1 ATOM 5982 H2 TIP3 1313 59.224 -4.976 -26.740 1.00 0.00 WAT1 ATOM 5983 OH2 TIP3 1314 58.934 2.812 -24.357 1.00 0.00 WAT1 ATOM 5984 H1 TIP3 1314 58.112 2.265 -24.373 1.00 0.00 WAT1 ATOM 5985 H2 TIP3 1314 59.615 2.218 -24.711 1.00 0.00 WAT1 ATOM 5986 OH2 TIP3 1315 63.652 -6.904 -26.698 1.00 0.00 WAT1 ATOM 5987 H1 TIP3 1315 62.995 -7.016 -25.985 1.00 0.00 WAT1 ATOM 5988 H2 TIP3 1315 64.036 -6.026 -26.531 1.00 0.00 WAT1 ATOM 5989 OH2 TIP3 1316 61.868 -3.099 -21.830 1.00 0.00 WAT1 ATOM 5990 H1 TIP3 1316 61.500 -2.680 -22.646 1.00 0.00 WAT1 ATOM 5991 H2 TIP3 1316 61.070 -3.388 -21.328 1.00 0.00 WAT1 ATOM 5992 OH2 TIP3 1317 60.395 -10.476 -19.982 1.00 0.00 WAT1 ATOM 5993 H1 TIP3 1317 59.820 -9.877 -19.465 1.00 0.00 WAT1 ATOM 5994 H2 TIP3 1317 60.147 -10.301 -20.908 1.00 0.00 WAT1 ATOM 5995 OH2 TIP3 1318 57.785 -8.563 -24.297 1.00 0.00 WAT1 ATOM 5996 H1 TIP3 1318 57.227 -7.935 -23.819 1.00 0.00 WAT1 ATOM 5997 H2 TIP3 1318 58.401 -8.907 -23.613 1.00 0.00 WAT1 ATOM 5998 OH2 TIP3 1319 60.352 -5.407 -18.242 1.00 0.00 WAT1 ATOM 5999 H1 TIP3 1319 59.461 -5.232 -17.912 1.00 0.00 WAT1 ATOM 6000 H2 TIP3 1319 60.323 -5.099 -19.180 1.00 0.00 WAT1 ATOM 6001 OH2 TIP3 1320 55.899 5.265 -35.481 1.00 0.00 WAT1 ATOM 6002 H1 TIP3 1320 56.818 5.365 -35.131 1.00 0.00 WAT1 ATOM 6003 H2 TIP3 1320 55.813 5.982 -36.123 1.00 0.00 WAT1 ATOM 6004 OH2 TIP3 1321 51.748 7.361 -31.627 1.00 0.00 WAT1 ATOM 6005 H1 TIP3 1321 51.428 7.216 -32.540 1.00 0.00 WAT1 ATOM 6006 H2 TIP3 1321 51.701 8.337 -31.509 1.00 0.00 WAT1 ATOM 6007 OH2 TIP3 1322 51.082 6.729 -29.096 1.00 0.00 WAT1 ATOM 6008 H1 TIP3 1322 51.237 6.870 -30.062 1.00 0.00 WAT1 ATOM 6009 H2 TIP3 1322 51.703 7.333 -28.668 1.00 0.00 WAT1 ATOM 6010 OH2 TIP3 1323 54.111 3.490 -21.306 1.00 0.00 WAT1 ATOM 6011 H1 TIP3 1323 53.835 4.434 -21.317 1.00 0.00 WAT1 ATOM 6012 H2 TIP3 1323 53.325 3.016 -20.983 1.00 0.00 WAT1 ATOM 6013 OH2 TIP3 1324 61.196 5.482 -19.321 1.00 0.00 WAT1 ATOM 6014 H1 TIP3 1324 60.660 5.921 -19.984 1.00 0.00 WAT1 ATOM 6015 H2 TIP3 1324 60.828 4.567 -19.285 1.00 0.00 WAT1 ATOM 6016 OH2 TIP3 1325 52.285 12.105 -21.314 1.00 0.00 WAT1 ATOM 6017 H1 TIP3 1325 51.346 12.141 -21.043 1.00 0.00 WAT1 ATOM 6018 H2 TIP3 1325 52.527 11.166 -21.203 1.00 0.00 WAT1 ATOM 6019 OH2 TIP3 1326 55.341 7.172 -24.879 1.00 0.00 WAT1 ATOM 6020 H1 TIP3 1326 56.213 6.728 -24.929 1.00 0.00 WAT1 ATOM 6021 H2 TIP3 1326 54.723 6.458 -24.643 1.00 0.00 WAT1 ATOM 6022 OH2 TIP3 1327 60.181 -8.576 -29.480 1.00 0.00 WAT1 ATOM 6023 H1 TIP3 1327 60.877 -7.885 -29.404 1.00 0.00 WAT1 ATOM 6024 H2 TIP3 1327 59.738 -8.559 -28.610 1.00 0.00 WAT1 ATOM 6025 OH2 TIP3 1328 58.666 -5.820 -38.430 1.00 0.00 WAT1 ATOM 6026 H1 TIP3 1328 57.767 -6.170 -38.611 1.00 0.00 WAT1 ATOM 6027 H2 TIP3 1328 59.252 -6.393 -38.956 1.00 0.00 WAT1 ATOM 6028 OH2 TIP3 1329 61.413 -0.863 -11.994 1.00 0.00 WAT1 ATOM 6029 H1 TIP3 1329 61.307 -1.778 -11.673 1.00 0.00 WAT1 ATOM 6030 H2 TIP3 1329 62.379 -0.706 -11.952 1.00 0.00 WAT1 ATOM 6031 OH2 TIP3 1330 62.320 2.813 -10.654 1.00 0.00 WAT1 ATOM 6032 H1 TIP3 1330 61.579 3.259 -11.104 1.00 0.00 WAT1 ATOM 6033 H2 TIP3 1330 62.822 2.403 -11.374 1.00 0.00 WAT1 ATOM 6034 OH2 TIP3 1331 61.881 -1.201 -8.850 1.00 0.00 WAT1 ATOM 6035 H1 TIP3 1331 61.570 -1.927 -9.431 1.00 0.00 WAT1 ATOM 6036 H2 TIP3 1331 62.805 -1.078 -9.104 1.00 0.00 WAT1 ATOM 6037 OH2 TIP3 1332 57.683 -6.378 -9.048 1.00 0.00 WAT1 ATOM 6038 H1 TIP3 1332 57.706 -7.007 -8.295 1.00 0.00 WAT1 ATOM 6039 H2 TIP3 1332 58.394 -6.692 -9.646 1.00 0.00 WAT1 ATOM 6040 OH2 TIP3 1333 60.687 1.406 -8.947 1.00 0.00 WAT1 ATOM 6041 H1 TIP3 1333 60.983 0.474 -9.000 1.00 0.00 WAT1 ATOM 6042 H2 TIP3 1333 61.320 1.888 -9.522 1.00 0.00 WAT1 ATOM 6043 OH2 TIP3 1334 56.574 3.014 -7.329 1.00 0.00 WAT1 ATOM 6044 H1 TIP3 1334 57.328 3.293 -7.889 1.00 0.00 WAT1 ATOM 6045 H2 TIP3 1334 56.516 2.045 -7.473 1.00 0.00 WAT1 ATOM 6046 OH2 TIP3 1335 59.359 -6.780 -11.190 1.00 0.00 WAT1 ATOM 6047 H1 TIP3 1335 59.116 -6.904 -12.128 1.00 0.00 WAT1 ATOM 6048 H2 TIP3 1335 59.312 -5.797 -11.065 1.00 0.00 WAT1 ATOM 6049 OH2 TIP3 1336 64.122 -0.390 -12.066 1.00 0.00 WAT1 ATOM 6050 H1 TIP3 1336 63.899 -0.256 -13.012 1.00 0.00 WAT1 ATOM 6051 H2 TIP3 1336 65.041 -0.671 -12.078 1.00 0.00 WAT1 ATOM 6052 OH2 TIP3 1337 61.687 -4.099 -16.201 1.00 0.00 WAT1 ATOM 6053 H1 TIP3 1337 61.417 -4.599 -16.998 1.00 0.00 WAT1 ATOM 6054 H2 TIP3 1337 61.569 -4.739 -15.466 1.00 0.00 WAT1 ATOM 6055 OH2 TIP3 1338 57.574 -0.400 -10.788 1.00 0.00 WAT1 ATOM 6056 H1 TIP3 1338 57.503 -1.356 -11.014 1.00 0.00 WAT1 ATOM 6057 H2 TIP3 1338 56.645 -0.112 -10.688 1.00 0.00 WAT1 ATOM 6058 OH2 TIP3 1339 62.785 7.169 -13.003 1.00 0.00 WAT1 ATOM 6059 H1 TIP3 1339 62.356 7.059 -13.880 1.00 0.00 WAT1 ATOM 6060 H2 TIP3 1339 62.045 7.120 -12.370 1.00 0.00 WAT1 ATOM 6061 OH2 TIP3 1340 60.687 -1.230 -6.348 1.00 0.00 WAT1 ATOM 6062 H1 TIP3 1340 61.189 -1.231 -7.189 1.00 0.00 WAT1 ATOM 6063 H2 TIP3 1340 60.091 -0.458 -6.427 1.00 0.00 WAT1 ATOM 6064 OH2 TIP3 1341 59.327 6.009 -5.611 1.00 0.00 WAT1 ATOM 6065 H1 TIP3 1341 59.923 5.738 -6.326 1.00 0.00 WAT1 ATOM 6066 H2 TIP3 1341 58.877 5.183 -5.343 1.00 0.00 WAT1 ATOM 6067 OH2 TIP3 1342 59.428 8.685 -6.031 1.00 0.00 WAT1 ATOM 6068 H1 TIP3 1342 59.412 7.709 -5.892 1.00 0.00 WAT1 ATOM 6069 H2 TIP3 1342 60.353 8.873 -6.291 1.00 0.00 WAT1 ATOM 6070 OH2 TIP3 1343 57.453 4.002 -4.876 1.00 0.00 WAT1 ATOM 6071 H1 TIP3 1343 56.846 3.790 -4.128 1.00 0.00 WAT1 ATOM 6072 H2 TIP3 1343 57.054 3.543 -5.647 1.00 0.00 WAT1 ATOM 6073 OH2 TIP3 1344 56.000 -6.173 -11.175 1.00 0.00 WAT1 ATOM 6074 H1 TIP3 1344 56.556 -6.198 -10.368 1.00 0.00 WAT1 ATOM 6075 H2 TIP3 1344 56.124 -5.275 -11.520 1.00 0.00 WAT1 ATOM 6076 OH2 TIP3 1345 61.192 -7.991 -17.522 1.00 0.00 WAT1 ATOM 6077 H1 TIP3 1345 60.422 -8.469 -17.882 1.00 0.00 WAT1 ATOM 6078 H2 TIP3 1345 61.103 -7.090 -17.886 1.00 0.00 WAT1 ATOM 6079 OH2 TIP3 1346 57.551 -3.662 -8.894 1.00 0.00 WAT1 ATOM 6080 H1 TIP3 1346 57.687 -3.489 -9.858 1.00 0.00 WAT1 ATOM 6081 H2 TIP3 1346 57.443 -4.637 -8.843 1.00 0.00 WAT1 ATOM 6082 OH2 TIP3 1347 63.174 -0.011 -14.612 1.00 0.00 WAT1 ATOM 6083 H1 TIP3 1347 62.627 0.746 -14.295 1.00 0.00 WAT1 ATOM 6084 H2 TIP3 1347 62.615 -0.432 -15.312 1.00 0.00 WAT1 ATOM 6085 OH2 TIP3 1348 63.484 -2.918 -14.390 1.00 0.00 WAT1 ATOM 6086 H1 TIP3 1348 63.359 -1.961 -14.496 1.00 0.00 WAT1 ATOM 6087 H2 TIP3 1348 62.923 -3.310 -15.090 1.00 0.00 WAT1 ATOM 6088 OH2 TIP3 1349 55.475 1.988 -0.646 1.00 0.00 WAT1 ATOM 6089 H1 TIP3 1349 56.104 1.227 -0.593 1.00 0.00 WAT1 ATOM 6090 H2 TIP3 1349 55.138 2.075 0.251 1.00 0.00 WAT1 ATOM 6091 OH2 TIP3 1350 61.320 -3.313 -10.664 1.00 0.00 WAT1 ATOM 6092 H1 TIP3 1350 61.862 -4.057 -11.013 1.00 0.00 WAT1 ATOM 6093 H2 TIP3 1350 60.390 -3.559 -10.915 1.00 0.00 WAT1 ATOM 6094 OH2 TIP3 1351 60.194 -4.432 -8.332 1.00 0.00 WAT1 ATOM 6095 H1 TIP3 1351 60.776 -4.107 -9.044 1.00 0.00 WAT1 ATOM 6096 H2 TIP3 1351 59.305 -4.104 -8.584 1.00 0.00 WAT1 ATOM 6097 OH2 TIP3 1352 61.551 2.023 -13.680 1.00 0.00 WAT1 ATOM 6098 H1 TIP3 1352 61.189 2.860 -14.031 1.00 0.00 WAT1 ATOM 6099 H2 TIP3 1352 60.793 1.605 -13.229 1.00 0.00 WAT1 ATOM 6100 OH2 TIP3 1353 58.275 0.777 -4.294 1.00 0.00 WAT1 ATOM 6101 H1 TIP3 1353 58.602 1.644 -4.020 1.00 0.00 WAT1 ATOM 6102 H2 TIP3 1353 58.527 0.716 -5.244 1.00 0.00 WAT1 ATOM 6103 OH2 TIP3 1354 59.759 3.734 -11.595 1.00 0.00 WAT1 ATOM 6104 H1 TIP3 1354 59.841 4.077 -12.516 1.00 0.00 WAT1 ATOM 6105 H2 TIP3 1354 59.585 2.771 -11.714 1.00 0.00 WAT1 ATOM 6106 OH2 TIP3 1355 59.506 1.016 -12.070 1.00 0.00 WAT1 ATOM 6107 H1 TIP3 1355 60.198 0.308 -12.055 1.00 0.00 WAT1 ATOM 6108 H2 TIP3 1355 58.761 0.624 -11.554 1.00 0.00 WAT1 ATOM 6109 OH2 TIP3 1356 58.845 3.602 -8.913 1.00 0.00 WAT1 ATOM 6110 H1 TIP3 1356 58.972 3.756 -9.869 1.00 0.00 WAT1 ATOM 6111 H2 TIP3 1356 59.476 2.883 -8.707 1.00 0.00 WAT1 ATOM 6112 OH2 TIP3 1357 60.852 6.491 -11.087 1.00 0.00 WAT1 ATOM 6113 H1 TIP3 1357 60.236 5.758 -11.241 1.00 0.00 WAT1 ATOM 6114 H2 TIP3 1357 61.562 6.094 -10.536 1.00 0.00 WAT1 ATOM 6115 OH2 TIP3 1358 56.378 -9.018 -4.538 1.00 0.00 WAT1 ATOM 6116 H1 TIP3 1358 55.525 -9.401 -4.838 1.00 0.00 WAT1 ATOM 6117 H2 TIP3 1358 56.132 -8.450 -3.780 1.00 0.00 WAT1 ATOM 6118 OH2 TIP3 1359 59.952 3.046 -19.519 1.00 0.00 WAT1 ATOM 6119 H1 TIP3 1359 59.457 2.736 -20.305 1.00 0.00 WAT1 ATOM 6120 H2 TIP3 1359 60.274 2.223 -19.099 1.00 0.00 WAT1 ATOM 6121 OH2 TIP3 1360 63.604 1.238 -17.333 1.00 0.00 WAT1 ATOM 6122 H1 TIP3 1360 64.102 2.054 -17.246 1.00 0.00 WAT1 ATOM 6123 H2 TIP3 1360 63.784 0.757 -16.510 1.00 0.00 WAT1 ATOM 6124 OH2 TIP3 1361 64.768 -4.482 -12.553 1.00 0.00 WAT1 ATOM 6125 H1 TIP3 1361 64.307 -3.847 -13.151 1.00 0.00 WAT1 ATOM 6126 H2 TIP3 1361 65.463 -4.856 -13.099 1.00 0.00 WAT1 ATOM 6127 OH2 TIP3 1362 62.499 -5.608 -11.581 1.00 0.00 WAT1 ATOM 6128 H1 TIP3 1362 62.666 -6.373 -10.990 1.00 0.00 WAT1 ATOM 6129 H2 TIP3 1362 63.399 -5.285 -11.818 1.00 0.00 WAT1 ATOM 6130 OH2 TIP3 1363 61.371 6.682 -15.286 1.00 0.00 WAT1 ATOM 6131 H1 TIP3 1363 61.966 6.800 -16.064 1.00 0.00 WAT1 ATOM 6132 H2 TIP3 1363 60.476 6.664 -15.673 1.00 0.00 WAT1 ATOM 6133 OH2 TIP3 1364 56.600 6.644 -4.784 1.00 0.00 WAT1 ATOM 6134 H1 TIP3 1364 57.432 7.008 -5.124 1.00 0.00 WAT1 ATOM 6135 H2 TIP3 1364 56.768 5.682 -4.734 1.00 0.00 WAT1 ATOM 6136 OH2 TIP3 1365 57.119 -0.142 -0.336 1.00 0.00 WAT1 ATOM 6137 H1 TIP3 1365 57.158 -0.672 -1.164 1.00 0.00 WAT1 ATOM 6138 H2 TIP3 1365 57.905 -0.406 0.149 1.00 0.00 WAT1 ATOM 6139 OH2 TIP3 1366 57.637 -1.411 -2.698 1.00 0.00 WAT1 ATOM 6140 H1 TIP3 1366 57.990 -0.679 -3.253 1.00 0.00 WAT1 ATOM 6141 H2 TIP3 1366 58.275 -2.148 -2.835 1.00 0.00 WAT1 ATOM 6142 OH2 TIP3 1367 61.102 0.760 -18.326 1.00 0.00 WAT1 ATOM 6143 H1 TIP3 1367 61.261 0.309 -19.189 1.00 0.00 WAT1 ATOM 6144 H2 TIP3 1367 62.003 1.007 -18.016 1.00 0.00 WAT1 ATOM 6145 OH2 TIP3 1368 56.893 -3.195 -6.246 1.00 0.00 WAT1 ATOM 6146 H1 TIP3 1368 56.989 -3.152 -7.221 1.00 0.00 WAT1 ATOM 6147 H2 TIP3 1368 57.809 -3.336 -5.925 1.00 0.00 WAT1 ATOM 6148 OH2 TIP3 1369 61.752 -1.281 -16.486 1.00 0.00 WAT1 ATOM 6149 H1 TIP3 1369 61.663 -2.224 -16.727 1.00 0.00 WAT1 ATOM 6150 H2 TIP3 1369 61.397 -0.798 -17.257 1.00 0.00 WAT1 ATOM 6151 OH2 TIP3 1370 59.604 -3.603 -5.776 1.00 0.00 WAT1 ATOM 6152 H1 TIP3 1370 60.043 -2.719 -5.859 1.00 0.00 WAT1 ATOM 6153 H2 TIP3 1370 59.887 -4.081 -6.583 1.00 0.00 WAT1 ATOM 6154 OH2 TIP3 1371 58.291 -9.648 -12.028 1.00 0.00 WAT1 ATOM 6155 H1 TIP3 1371 59.259 -9.501 -12.079 1.00 0.00 WAT1 ATOM 6156 H2 TIP3 1371 58.146 -9.936 -11.095 1.00 0.00 WAT1 ATOM 6157 OH2 TIP3 1372 58.955 0.783 -6.950 1.00 0.00 WAT1 ATOM 6158 H1 TIP3 1372 58.103 0.579 -7.391 1.00 0.00 WAT1 ATOM 6159 H2 TIP3 1372 59.541 1.075 -7.682 1.00 0.00 WAT1 ATOM 6160 OH2 TIP3 1373 59.243 -3.599 -3.073 1.00 0.00 WAT1 ATOM 6161 H1 TIP3 1373 60.038 -4.005 -2.716 1.00 0.00 WAT1 ATOM 6162 H2 TIP3 1373 59.331 -3.715 -4.048 1.00 0.00 WAT1 ATOM 6163 OH2 TIP3 1374 62.795 -7.717 -9.716 1.00 0.00 WAT1 ATOM 6164 H1 TIP3 1374 62.085 -7.498 -9.063 1.00 0.00 WAT1 ATOM 6165 H2 TIP3 1374 63.522 -8.043 -9.175 1.00 0.00 WAT1 ATOM 6166 OH2 TIP3 1375 55.944 -5.719 -5.964 1.00 0.00 WAT1 ATOM 6167 H1 TIP3 1375 56.114 -4.778 -6.172 1.00 0.00 WAT1 ATOM 6168 H2 TIP3 1375 56.304 -5.826 -5.052 1.00 0.00 WAT1 ATOM 6169 OH2 TIP3 1376 55.399 -2.091 -4.200 1.00 0.00 WAT1 ATOM 6170 H1 TIP3 1376 56.107 -2.040 -3.524 1.00 0.00 WAT1 ATOM 6171 H2 TIP3 1376 55.821 -2.561 -4.953 1.00 0.00 WAT1 ATOM 6172 OH2 TIP3 1377 55.051 -8.799 -9.293 1.00 0.00 WAT1 ATOM 6173 H1 TIP3 1377 54.505 -9.579 -9.057 1.00 0.00 WAT1 ATOM 6174 H2 TIP3 1377 54.819 -8.132 -8.613 1.00 0.00 WAT1 ATOM 6175 OH2 TIP3 1378 55.847 3.866 -2.669 1.00 0.00 WAT1 ATOM 6176 H1 TIP3 1378 55.987 4.727 -2.212 1.00 0.00 WAT1 ATOM 6177 H2 TIP3 1378 55.770 3.215 -1.939 1.00 0.00 WAT1 ATOM 6178 OH2 TIP3 1379 54.208 4.310 -8.009 1.00 0.00 WAT1 ATOM 6179 H1 TIP3 1379 54.283 5.166 -7.534 1.00 0.00 WAT1 ATOM 6180 H2 TIP3 1379 54.989 3.802 -7.706 1.00 0.00 WAT1 ATOM 6181 OH2 TIP3 1380 54.513 6.745 -6.734 1.00 0.00 WAT1 ATOM 6182 H1 TIP3 1380 53.793 7.017 -6.125 1.00 0.00 WAT1 ATOM 6183 H2 TIP3 1380 55.318 6.779 -6.178 1.00 0.00 WAT1 ATOM 6184 OH2 TIP3 1381 62.679 5.283 -9.405 1.00 0.00 WAT1 ATOM 6185 H1 TIP3 1381 62.710 4.337 -9.653 1.00 0.00 WAT1 ATOM 6186 H2 TIP3 1381 63.624 5.573 -9.442 1.00 0.00 WAT1 ATOM 6187 OH2 TIP3 1382 60.950 -8.977 -11.440 1.00 0.00 WAT1 ATOM 6188 H1 TIP3 1382 60.392 -8.183 -11.282 1.00 0.00 WAT1 ATOM 6189 H2 TIP3 1382 61.766 -8.790 -10.938 1.00 0.00 WAT1 ATOM 6190 OH2 TIP3 1383 60.197 4.482 -14.181 1.00 0.00 WAT1 ATOM 6191 H1 TIP3 1383 60.903 5.138 -14.364 1.00 0.00 WAT1 ATOM 6192 H2 TIP3 1383 59.487 4.723 -14.812 1.00 0.00 WAT1 ATOM 6193 OH2 TIP3 1384 61.407 -5.979 -14.129 1.00 0.00 WAT1 ATOM 6194 H1 TIP3 1384 60.448 -6.100 -13.970 1.00 0.00 WAT1 ATOM 6195 H2 TIP3 1384 61.778 -5.809 -13.236 1.00 0.00 WAT1 ATOM 6196 OH2 TIP3 1385 60.854 -7.079 -7.892 1.00 0.00 WAT1 ATOM 6197 H1 TIP3 1385 60.159 -7.422 -7.315 1.00 0.00 WAT1 ATOM 6198 H2 TIP3 1385 60.626 -6.131 -8.005 1.00 0.00 WAT1 ATOM 6199 OH2 TIP3 1386 53.809 7.947 -17.829 1.00 0.00 WAT1 ATOM 6200 H1 TIP3 1386 53.201 7.544 -18.507 1.00 0.00 WAT1 ATOM 6201 H2 TIP3 1386 53.407 7.708 -16.983 1.00 0.00 WAT1 ATOM 6202 OH2 TIP3 1387 52.947 -1.368 -3.127 1.00 0.00 WAT1 ATOM 6203 H1 TIP3 1387 53.780 -1.716 -3.516 1.00 0.00 WAT1 ATOM 6204 H2 TIP3 1387 53.182 -0.460 -2.834 1.00 0.00 WAT1 ATOM 6205 OH2 TIP3 1388 57.215 -5.560 -3.582 1.00 0.00 WAT1 ATOM 6206 H1 TIP3 1388 57.714 -4.966 -3.002 1.00 0.00 WAT1 ATOM 6207 H2 TIP3 1388 56.740 -6.160 -2.968 1.00 0.00 WAT1 ATOM 6208 OH2 TIP3 1389 53.475 5.250 -24.199 1.00 0.00 WAT1 ATOM 6209 H1 TIP3 1389 54.122 4.522 -24.056 1.00 0.00 WAT1 ATOM 6210 H2 TIP3 1389 53.209 5.517 -23.289 1.00 0.00 WAT1 ATOM 6211 OH2 TIP3 1390 55.312 6.790 -19.929 1.00 0.00 WAT1 ATOM 6212 H1 TIP3 1390 54.895 7.395 -19.293 1.00 0.00 WAT1 ATOM 6213 H2 TIP3 1390 54.596 6.585 -20.567 1.00 0.00 WAT1 ATOM 6214 OH2 TIP3 1391 63.672 17.066 -10.203 1.00 0.00 WAT1 ATOM 6215 H1 TIP3 1391 63.961 17.926 -9.893 1.00 0.00 WAT1 ATOM 6216 H2 TIP3 1391 64.395 16.753 -10.748 1.00 0.00 WAT1 ATOM 6217 OH2 TIP3 1392 55.553 15.365 -9.082 1.00 0.00 WAT1 ATOM 6218 H1 TIP3 1392 55.084 14.847 -9.767 1.00 0.00 WAT1 ATOM 6219 H2 TIP3 1392 55.708 16.238 -9.512 1.00 0.00 WAT1 ATOM 6220 OH2 TIP3 1393 62.950 12.203 -4.243 1.00 0.00 WAT1 ATOM 6221 H1 TIP3 1393 62.161 12.367 -3.675 1.00 0.00 WAT1 ATOM 6222 H2 TIP3 1393 63.695 12.434 -3.681 1.00 0.00 WAT1 ATOM 6223 OH2 TIP3 1394 57.710 10.483 -7.244 1.00 0.00 WAT1 ATOM 6224 H1 TIP3 1394 56.874 10.077 -6.982 1.00 0.00 WAT1 ATOM 6225 H2 TIP3 1394 58.392 9.869 -6.899 1.00 0.00 WAT1 ATOM 6226 OH2 TIP3 1395 65.245 6.095 -9.614 1.00 0.00 WAT1 ATOM 6227 H1 TIP3 1395 66.173 6.033 -9.379 1.00 0.00 WAT1 ATOM 6228 H2 TIP3 1395 65.248 6.579 -10.476 1.00 0.00 WAT1 ATOM 6229 OH2 TIP3 1396 55.704 12.246 -11.140 1.00 0.00 WAT1 ATOM 6230 H1 TIP3 1396 55.124 13.033 -11.231 1.00 0.00 WAT1 ATOM 6231 H2 TIP3 1396 56.332 12.493 -10.429 1.00 0.00 WAT1 ATOM 6232 OH2 TIP3 1397 61.847 11.984 -6.701 1.00 0.00 WAT1 ATOM 6233 H1 TIP3 1397 62.139 12.763 -7.184 1.00 0.00 WAT1 ATOM 6234 H2 TIP3 1397 62.258 12.084 -5.810 1.00 0.00 WAT1 ATOM 6235 OH2 TIP3 1398 53.859 14.210 -11.007 1.00 0.00 WAT1 ATOM 6236 H1 TIP3 1398 53.565 14.627 -11.848 1.00 0.00 WAT1 ATOM 6237 H2 TIP3 1398 53.104 14.352 -10.392 1.00 0.00 WAT1 ATOM 6238 OH2 TIP3 1399 54.381 18.085 -13.004 1.00 0.00 WAT1 ATOM 6239 H1 TIP3 1399 55.213 17.849 -13.485 1.00 0.00 WAT1 ATOM 6240 H2 TIP3 1399 54.051 18.860 -13.471 1.00 0.00 WAT1 ATOM 6241 OH2 TIP3 1400 55.041 17.744 -10.336 1.00 0.00 WAT1 ATOM 6242 H1 TIP3 1400 54.303 18.152 -9.870 1.00 0.00 WAT1 ATOM 6243 H2 TIP3 1400 54.842 17.899 -11.284 1.00 0.00 WAT1 ATOM 6244 OH2 TIP3 1401 60.051 8.761 -9.694 1.00 0.00 WAT1 ATOM 6245 H1 TIP3 1401 60.538 8.545 -8.888 1.00 0.00 WAT1 ATOM 6246 H2 TIP3 1401 60.340 8.080 -10.336 1.00 0.00 WAT1 ATOM 6247 OH2 TIP3 1402 58.883 12.557 -4.894 1.00 0.00 WAT1 ATOM 6248 H1 TIP3 1402 59.396 12.419 -5.702 1.00 0.00 WAT1 ATOM 6249 H2 TIP3 1402 58.643 11.644 -4.600 1.00 0.00 WAT1 ATOM 6250 OH2 TIP3 1403 62.036 9.261 -6.853 1.00 0.00 WAT1 ATOM 6251 H1 TIP3 1403 61.853 10.223 -6.975 1.00 0.00 WAT1 ATOM 6252 H2 TIP3 1403 62.877 9.241 -6.382 1.00 0.00 WAT1 ATOM 6253 OH2 TIP3 1404 61.121 6.801 -7.807 1.00 0.00 WAT1 ATOM 6254 H1 TIP3 1404 61.679 7.534 -7.478 1.00 0.00 WAT1 ATOM 6255 H2 TIP3 1404 61.739 6.245 -8.337 1.00 0.00 WAT1 ATOM 6256 OH2 TIP3 1405 60.696 12.635 -2.793 1.00 0.00 WAT1 ATOM 6257 H1 TIP3 1405 60.012 12.826 -3.467 1.00 0.00 WAT1 ATOM 6258 H2 TIP3 1405 60.220 12.166 -2.101 1.00 0.00 WAT1 ATOM 6259 OH2 TIP3 1406 55.224 13.863 -6.757 1.00 0.00 WAT1 ATOM 6260 H1 TIP3 1406 55.458 14.370 -7.560 1.00 0.00 WAT1 ATOM 6261 H2 TIP3 1406 54.341 13.492 -6.957 1.00 0.00 WAT1 ATOM 6262 OH2 TIP3 1407 56.105 6.966 -16.497 1.00 0.00 WAT1 ATOM 6263 H1 TIP3 1407 56.348 6.282 -17.153 1.00 0.00 WAT1 ATOM 6264 H2 TIP3 1407 55.427 7.496 -16.947 1.00 0.00 WAT1 ATOM 6265 OH2 TIP3 1408 58.545 6.354 -8.647 1.00 0.00 WAT1 ATOM 6266 H1 TIP3 1408 58.626 5.384 -8.603 1.00 0.00 WAT1 ATOM 6267 H2 TIP3 1408 59.415 6.680 -8.337 1.00 0.00 WAT1 ATOM 6268 OH2 TIP3 1409 58.685 5.900 -16.102 1.00 0.00 WAT1 ATOM 6269 H1 TIP3 1409 57.910 6.481 -15.956 1.00 0.00 WAT1 ATOM 6270 H2 TIP3 1409 58.552 5.555 -17.003 1.00 0.00 WAT1 ATOM 6271 OH2 TIP3 1410 65.277 7.360 -11.999 1.00 0.00 WAT1 ATOM 6272 H1 TIP3 1410 65.637 8.103 -12.487 1.00 0.00 WAT1 ATOM 6273 H2 TIP3 1410 64.382 7.224 -12.395 1.00 0.00 WAT1 ATOM 6274 OH2 TIP3 1411 58.119 10.103 -4.070 1.00 0.00 WAT1 ATOM 6275 H1 TIP3 1411 58.592 9.474 -4.652 1.00 0.00 WAT1 ATOM 6276 H2 TIP3 1411 57.182 9.847 -4.152 1.00 0.00 WAT1 END