REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -815.186, 80.511, 110.761, 43.1484, 565.366, -597.486, -1021.84, 4.02824, 0.328153 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.34631E-03,0.448205,1.06267,42.287,4.721893E-03,0.189496 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 43, 4 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.602 -5.895 -9.562 1.00 71.42 ATOM 2 CB MET 1 10.511 -4.950 -9.853 1.00 14.11 ATOM 3 HB1 MET 1 11.074 -5.649 -9.249 1.00 37.53 ATOM 4 HB2 MET 1 10.931 -3.962 -9.725 1.00 31.00 ATOM 5 CG MET 1 10.671 -5.349 -11.312 1.00 32.03 ATOM 6 HG1 MET 1 10.350 -6.376 -11.431 1.00 37.53 ATOM 7 HG2 MET 1 11.716 -5.268 -11.582 1.00 54.44 ATOM 8 SD MET 1 9.701 -4.311 -12.419 1.00 11.23 ATOM 9 CE MET 1 10.165 -4.994 -14.012 1.00 51.43 ATOM 10 HE1 MET 1 9.653 -4.455 -14.797 1.00 41.21 ATOM 11 HE2 MET 1 9.887 -6.038 -14.051 1.00 71.15 ATOM 12 HE3 MET 1 11.233 -4.901 -14.149 1.00 34.34 ATOM 13 C MET 1 9.018 -4.674 -7.855 1.00 41.32 ATOM 14 O MET 1 9.024 -3.524 -7.414 1.00 63.35 ATOM 15 N MET 1 8.269 -3.902 -10.099 1.00 41.12 ATOM 16 HT1 MET 1 8.302 -4.080 -11.124 1.00 37.53 ATOM 17 HT2 MET 1 8.658 -2.957 -9.912 1.00 37.53 ATOM 18 HT3 MET 1 7.275 -3.916 -9.790 1.00 37.53 ATOM 19 CA MET 1 9.052 -4.932 -9.366 1.00 53.30 ATOM 20 N GLY 2 8.979 -5.750 -7.071 1.00 43.04 ATOM 21 HN GLY 2 8.939 -6.639 -7.481 1.00 37.53 ATOM 22 CA GLY 2 8.994 -5.625 -5.617 1.00 0.33 ATOM 23 HA1 GLY 2 8.634 -6.548 -5.187 1.00 37.53 ATOM 24 HA2 GLY 2 8.329 -4.825 -5.326 1.00 24.24 ATOM 25 C GLY 2 10.387 -5.337 -5.061 1.00 34.43 ATOM 26 O GLY 2 11.315 -5.023 -5.812 1.00 71.43 ATOM 27 N HIS 3 10.541 -5.440 -3.743 1.00 12.23 ATOM 28 HN HIS 3 9.770 -5.679 -3.189 1.00 37.53 ATOM 29 CA HIS 3 11.840 -5.215 -3.103 1.00 14.10 ATOM 30 HA HIS 3 12.306 -4.368 -3.593 1.00 25.13 ATOM 31 CB HIS 3 11.658 -4.885 -1.616 1.00 60.32 ATOM 32 HB1 HIS 3 12.630 -4.817 -1.145 1.00 37.53 ATOM 33 HB2 HIS 3 11.091 -5.673 -1.145 1.00 74.15 ATOM 34 CG HIS 3 10.939 -3.594 -1.376 1.00 64.45 ATOM 35 ND1 HIS 3 9.642 -3.527 -0.920 1.00 32.11 ATOM 36 HD1 HIS 3 9.063 -4.295 -0.720 1.00 61.00 ATOM 37 CD2 HIS 3 11.350 -2.312 -1.508 1.00 31.32 ATOM 38 HD2 HIS 3 12.324 -1.982 -1.844 1.00 73.51 ATOM 39 CE1 HIS 3 9.287 -2.267 -0.786 1.00 12.00 ATOM 40 HE1 HIS 3 8.324 -1.916 -0.445 1.00 55.12 ATOM 41 NE2 HIS 3 10.303 -1.508 -1.133 1.00 45.10 ATOM 42 HE2 HIS 3 10.379 -0.553 -0.920 1.00 37.53 ATOM 43 C HIS 3 12.756 -6.437 -3.267 1.00 42.30 ATOM 44 O HIS 3 12.524 -7.487 -2.664 1.00 13.23 ATOM 45 N HIS 4 13.793 -6.290 -4.092 1.00 45.04 ATOM 46 HN HIS 4 13.916 -5.429 -4.548 1.00 37.53 ATOM 47 CA HIS 4 14.748 -7.373 -4.349 1.00 22.23 ATOM 48 HA HIS 4 14.184 -8.233 -4.685 1.00 14.25 ATOM 49 CB HIS 4 15.725 -6.956 -5.459 1.00 41.42 ATOM 50 HB1 HIS 4 16.395 -6.199 -5.075 1.00 37.53 ATOM 51 HB2 HIS 4 15.164 -6.543 -6.284 1.00 11.55 ATOM 52 CG HIS 4 16.557 -8.084 -5.995 1.00 40.21 ATOM 53 ND1 HIS 4 16.008 -9.254 -6.476 1.00 20.33 ATOM 54 HD1 HIS 4 15.051 -9.471 -6.505 1.00 30.22 ATOM 55 CD2 HIS 4 17.899 -8.219 -6.137 1.00 4.25 ATOM 56 HD2 HIS 4 18.651 -7.497 -5.857 1.00 51.22 ATOM 57 CE1 HIS 4 16.969 -10.052 -6.891 1.00 3.25 ATOM 58 HE1 HIS 4 16.833 -11.036 -7.316 1.00 73.45 ATOM 59 NE2 HIS 4 18.122 -9.450 -6.697 1.00 73.33 ATOM 60 HE2 HIS 4 19.002 -9.865 -6.827 1.00 37.53 ATOM 61 C HIS 4 15.510 -7.755 -3.065 1.00 64.31 ATOM 62 O HIS 4 16.024 -8.867 -2.938 1.00 45.32 ATOM 63 N HIS 5 15.596 -6.813 -2.128 1.00 1.24 ATOM 64 HN HIS 5 15.291 -5.907 -2.342 1.00 37.53 ATOM 65 CA HIS 5 16.136 -7.084 -0.790 1.00 61.32 ATOM 66 HA HIS 5 16.775 -7.954 -0.854 1.00 64.11 ATOM 67 CB HIS 5 16.962 -5.892 -0.288 1.00 14.15 ATOM 68 HB1 HIS 5 17.306 -6.098 0.716 1.00 37.53 ATOM 69 HB2 HIS 5 16.335 -5.011 -0.270 1.00 12.45 ATOM 70 CG HIS 5 18.162 -5.581 -1.132 1.00 40.05 ATOM 71 ND1 HIS 5 18.156 -4.622 -2.120 1.00 62.23 ATOM 72 HD1 HIS 5 17.388 -4.068 -2.376 1.00 53.01 ATOM 73 CD2 HIS 5 19.416 -6.095 -1.122 1.00 11.41 ATOM 74 HD2 HIS 5 19.787 -6.873 -0.469 1.00 1.54 ATOM 75 CE1 HIS 5 19.345 -4.558 -2.681 1.00 71.21 ATOM 76 HE1 HIS 5 19.630 -3.893 -3.485 1.00 25.53 ATOM 77 NE2 HIS 5 20.128 -5.439 -2.095 1.00 21.14 ATOM 78 HE2 HIS 5 21.024 -5.687 -2.407 1.00 37.53 ATOM 79 C HIS 5 14.998 -7.376 0.201 1.00 4.13 ATOM 80 O HIS 5 14.206 -6.490 0.531 1.00 73.33 ATOM 81 N HIS 6 14.919 -8.618 0.671 1.00 71.33 ATOM 82 HN HIS 6 15.588 -9.277 0.388 1.00 37.53 ATOM 83 CA HIS 6 13.866 -9.024 1.606 1.00 13.15 ATOM 84 HA HIS 6 12.944 -8.564 1.278 1.00 33.24 ATOM 85 CB HIS 6 13.687 -10.548 1.586 1.00 2.32 ATOM 86 HB1 HIS 6 12.896 -10.822 2.269 1.00 37.53 ATOM 87 HB2 HIS 6 14.607 -11.020 1.901 1.00 14.50 ATOM 88 CG HIS 6 13.334 -11.083 0.233 1.00 64.04 ATOM 89 ND1 HIS 6 14.224 -11.771 -0.562 1.00 34.05 ATOM 90 HD1 HIS 6 15.157 -11.981 -0.330 1.00 44.03 ATOM 91 CD2 HIS 6 12.175 -11.031 -0.466 1.00 13.13 ATOM 92 HD2 HIS 6 11.253 -10.569 -0.145 1.00 10.42 ATOM 93 CE1 HIS 6 13.633 -12.113 -1.689 1.00 1.12 ATOM 94 HE1 HIS 6 14.089 -12.662 -2.499 1.00 21.23 ATOM 95 NE2 HIS 6 12.390 -11.677 -1.657 1.00 54.23 ATOM 96 HE2 HIS 6 11.787 -11.650 -2.430 1.00 37.53 ATOM 97 C HIS 6 14.171 -8.541 3.031 1.00 5.34 ATOM 98 O HIS 6 15.027 -9.095 3.724 1.00 31.15 ATOM 99 N HIS 7 13.461 -7.497 3.457 1.00 21.25 ATOM 100 HN HIS 7 12.781 -7.113 2.863 1.00 37.53 ATOM 101 CA HIS 7 13.656 -6.914 4.789 1.00 65.30 ATOM 102 HA HIS 7 14.719 -6.866 4.980 1.00 60.32 ATOM 103 CB HIS 7 13.074 -5.494 4.834 1.00 31.31 ATOM 104 HB1 HIS 7 13.321 -5.041 5.784 1.00 37.53 ATOM 105 HB2 HIS 7 11.999 -5.546 4.734 1.00 2.23 ATOM 106 CG HIS 7 13.594 -4.599 3.748 1.00 74.33 ATOM 107 ND1 HIS 7 14.705 -3.798 3.896 1.00 65.22 ATOM 108 HD1 HIS 7 15.260 -3.729 4.706 1.00 72.23 ATOM 109 CD2 HIS 7 13.146 -4.382 2.488 1.00 2.22 ATOM 110 HD2 HIS 7 12.282 -4.840 2.025 1.00 71.24 ATOM 111 CE1 HIS 7 14.919 -3.131 2.782 1.00 34.40 ATOM 112 HE1 HIS 7 15.718 -2.426 2.611 1.00 10.50 ATOM 113 NE2 HIS 7 13.990 -3.466 1.911 1.00 45.10 ATOM 114 HE2 HIS 7 14.019 -3.252 0.957 1.00 37.53 ATOM 115 C HIS 7 12.998 -7.784 5.869 1.00 52.21 ATOM 116 O HIS 7 13.524 -7.937 6.972 1.00 2.20 ATOM 117 N HIS 8 11.841 -8.352 5.535 1.00 62.25 ATOM 118 HN HIS 8 11.473 -8.186 4.640 1.00 37.53 ATOM 119 CA HIS 8 11.111 -9.231 6.454 1.00 60.22 ATOM 120 HA HIS 8 11.542 -9.118 7.441 1.00 34.35 ATOM 121 CB HIS 8 9.632 -8.829 6.510 1.00 72.12 ATOM 122 HB1 HIS 8 9.123 -9.440 7.242 1.00 37.53 ATOM 123 HB2 HIS 8 9.183 -8.987 5.539 1.00 61.45 ATOM 124 CG HIS 8 9.425 -7.397 6.882 1.00 4.55 ATOM 125 ND1 HIS 8 9.440 -6.943 8.183 1.00 63.42 ATOM 126 HD1 HIS 8 9.573 -7.496 8.985 1.00 31.53 ATOM 127 CD2 HIS 8 9.215 -6.306 6.110 1.00 30.42 ATOM 128 HD2 HIS 8 9.140 -6.289 5.032 1.00 73.35 ATOM 129 CE1 HIS 8 9.246 -5.641 8.194 1.00 75.20 ATOM 130 HE1 HIS 8 9.207 -5.014 9.073 1.00 61.13 ATOM 131 NE2 HIS 8 9.108 -5.231 6.952 1.00 14.52 ATOM 132 HE2 HIS 8 8.817 -4.331 6.689 1.00 37.53 ATOM 133 C HIS 8 11.242 -10.698 6.022 1.00 44.24 ATOM 134 O HIS 8 10.767 -11.081 4.951 1.00 73.14 ATOM 135 N SER 9 11.890 -11.506 6.854 1.00 75.03 ATOM 136 HN SER 9 12.248 -11.134 7.687 1.00 37.53 ATOM 137 CA SER 9 12.084 -12.936 6.568 1.00 73.23 ATOM 138 HA SER 9 11.448 -13.196 5.732 1.00 64.33 ATOM 139 CB SER 9 13.545 -13.217 6.182 1.00 52.44 ATOM 140 HB1 SER 9 13.688 -14.282 6.061 1.00 37.53 ATOM 141 HB2 SER 9 14.199 -12.854 6.962 1.00 33.24 ATOM 142 OG SER 9 13.886 -12.570 4.963 1.00 14.41 ATOM 143 HG SER 9 14.626 -11.970 5.111 1.00 51.14 ATOM 144 C SER 9 11.679 -13.802 7.768 1.00 4.31 ATOM 145 O SER 9 11.355 -13.288 8.840 1.00 22.45 ATOM 146 N HIS 10 11.695 -15.122 7.588 1.00 25.21 ATOM 147 HN HIS 10 12.021 -15.481 6.736 1.00 37.53 ATOM 148 CA HIS 10 11.241 -16.053 8.633 1.00 70.24 ATOM 149 HA HIS 10 10.629 -15.492 9.326 1.00 4.50 ATOM 150 CB HIS 10 10.376 -17.152 8.006 1.00 3.45 ATOM 151 HB1 HIS 10 10.003 -17.801 8.786 1.00 37.53 ATOM 152 HB2 HIS 10 10.978 -17.732 7.320 1.00 21.20 ATOM 153 CG HIS 10 9.196 -16.613 7.248 1.00 50.53 ATOM 154 ND1 HIS 10 8.959 -16.896 5.920 1.00 1.21 ATOM 155 HD1 HIS 10 9.504 -17.483 5.353 1.00 3.52 ATOM 156 CD2 HIS 10 8.189 -15.791 7.638 1.00 62.55 ATOM 157 HD2 HIS 10 8.049 -15.369 8.623 1.00 75.12 ATOM 158 CE1 HIS 10 7.865 -16.276 5.526 1.00 32.44 ATOM 159 HE1 HIS 10 7.438 -16.319 4.536 1.00 70.33 ATOM 160 NE2 HIS 10 7.380 -15.600 6.546 1.00 60.55 ATOM 161 HE2 HIS 10 6.615 -14.983 6.504 1.00 37.53 ATOM 162 C HIS 10 12.416 -16.665 9.422 1.00 15.33 ATOM 163 O HIS 10 13.584 -16.481 9.071 1.00 21.33 ATOM 164 N MET 11 12.096 -17.407 10.485 1.00 5.33 ATOM 165 HN MET 11 11.152 -17.600 10.662 1.00 37.53 ATOM 166 CA MET 11 13.119 -17.952 11.394 1.00 25.52 ATOM 167 HA MET 11 14.078 -17.549 11.096 1.00 21.13 ATOM 168 CB MET 11 12.827 -17.508 12.835 1.00 71.34 ATOM 169 HB1 MET 11 13.553 -17.963 13.494 1.00 37.53 ATOM 170 HB2 MET 11 11.840 -17.851 13.112 1.00 21.21 ATOM 171 CG MET 11 12.882 -15.998 13.039 1.00 33.41 ATOM 172 HG1 MET 11 12.163 -15.530 12.381 1.00 37.53 ATOM 173 HG2 MET 11 13.874 -15.648 12.793 1.00 51.01 ATOM 174 SD MET 11 12.511 -15.512 14.736 1.00 1.32 ATOM 175 CE MET 11 10.850 -16.159 14.922 1.00 52.51 ATOM 176 HE1 MET 11 10.862 -17.230 14.782 1.00 35.41 ATOM 177 HE2 MET 11 10.203 -15.708 14.184 1.00 33.23 ATOM 178 HE3 MET 11 10.481 -15.929 15.911 1.00 43.44 ATOM 179 C MET 11 13.198 -19.489 11.338 1.00 4.24 ATOM 180 O MET 11 12.576 -20.131 10.489 1.00 74.44 ATOM 181 N ASN 12 13.991 -20.058 12.247 1.00 60.40 ATOM 182 HN ASN 12 14.494 -19.478 12.858 1.00 37.53 ATOM 183 CA ASN 12 14.147 -21.513 12.371 1.00 71.11 ATOM 184 HA ASN 12 13.968 -21.953 11.399 1.00 24.24 ATOM 185 CB ASN 12 15.589 -21.833 12.810 1.00 63.33 ATOM 186 HB1 ASN 12 15.799 -21.304 13.729 1.00 37.53 ATOM 187 HB2 ASN 12 16.272 -21.491 12.046 1.00 43.12 ATOM 188 CG ASN 12 15.845 -23.315 13.039 1.00 61.41 ATOM 189 OD1 ASN 12 15.199 -24.173 12.450 1.00 31.12 ATOM 190 ND2 ASN 12 16.794 -23.627 13.901 1.00 22.04 ATOM 191 HD21 ASN 12 17.277 -22.900 14.341 1.00 22.22 ATOM 192 HD22 ASN 12 16.986 -24.581 14.053 1.00 23.13 ATOM 193 C ASN 12 13.134 -22.098 13.379 1.00 33.12 ATOM 194 O ASN 12 12.736 -21.423 14.333 1.00 31.14 ATOM 195 N SER 13 12.751 -23.363 13.173 1.00 51.41 ATOM 196 HN SER 13 13.138 -23.852 12.414 1.00 37.53 ATOM 197 CA SER 13 11.765 -24.058 14.029 1.00 20.31 ATOM 198 HA SER 13 10.803 -23.598 13.858 1.00 73.14 ATOM 199 CB SER 13 11.676 -25.543 13.636 1.00 25.10 ATOM 200 HB1 SER 13 10.923 -26.031 14.240 1.00 37.53 ATOM 201 HB2 SER 13 12.632 -26.017 13.803 1.00 3.40 ATOM 202 OG SER 13 11.327 -25.696 12.268 1.00 63.14 ATOM 203 HG SER 13 11.565 -26.584 11.971 1.00 75.13 ATOM 204 C SER 13 12.099 -23.946 15.527 1.00 52.13 ATOM 205 O SER 13 11.210 -23.947 16.378 1.00 52.44 ATOM 206 N ALA 14 13.386 -23.850 15.847 1.00 10.11 ATOM 207 HN ALA 14 14.056 -23.882 15.132 1.00 37.53 ATOM 208 CA ALA 14 13.826 -23.713 17.240 1.00 23.53 ATOM 209 HA ALA 14 13.249 -24.406 17.839 1.00 10.43 ATOM 210 CB ALA 14 15.291 -24.100 17.363 1.00 64.32 ATOM 211 HB1 ALA 14 15.899 -23.402 16.804 1.00 64.34 ATOM 212 HB2 ALA 14 15.434 -25.096 16.968 1.00 74.22 ATOM 213 HB3 ALA 14 15.584 -24.080 18.403 1.00 0.45 ATOM 214 C ALA 14 13.604 -22.291 17.781 1.00 22.11 ATOM 215 O ALA 14 13.166 -22.113 18.914 1.00 52.42 ATOM 216 N GLU 15 13.891 -21.283 16.955 1.00 41.02 ATOM 217 HN GLU 15 14.148 -21.485 16.033 1.00 37.53 ATOM 218 CA GLU 15 13.811 -19.875 17.381 1.00 33.22 ATOM 219 HA GLU 15 14.465 -19.758 18.233 1.00 23.02 ATOM 220 CB GLU 15 14.307 -18.951 16.257 1.00 41.13 ATOM 221 HB1 GLU 15 14.219 -17.924 16.585 1.00 37.53 ATOM 222 HB2 GLU 15 13.685 -19.095 15.384 1.00 33.30 ATOM 223 CG GLU 15 15.758 -19.204 15.860 1.00 60.10 ATOM 224 HG1 GLU 15 15.844 -20.218 15.492 1.00 37.53 ATOM 225 HG2 GLU 15 16.381 -19.091 16.736 1.00 12.20 ATOM 226 CD GLU 15 16.252 -18.249 14.783 1.00 2.30 ATOM 227 OE1 GLU 15 16.880 -17.224 15.129 1.00 51.33 ATOM 228 OE2 GLU 15 16.011 -18.521 13.588 1.00 42.42 ATOM 229 C GLU 15 12.387 -19.479 17.808 1.00 4.15 ATOM 230 O GLU 15 12.204 -18.688 18.737 1.00 50.44 ATOM 231 N GLN 16 11.381 -20.028 17.130 1.00 70.20 ATOM 232 HN GLN 16 11.580 -20.584 16.349 1.00 37.53 ATOM 233 CA GLN 16 9.983 -19.802 17.521 1.00 71.21 ATOM 234 HA GLN 16 9.855 -18.739 17.676 1.00 63.31 ATOM 235 CB GLN 16 9.018 -20.263 16.412 1.00 31.34 ATOM 236 HB1 GLN 16 9.300 -19.782 15.485 1.00 37.53 ATOM 237 HB2 GLN 16 8.015 -19.954 16.675 1.00 52.30 ATOM 238 CG GLN 16 9.006 -21.771 16.184 1.00 32.42 ATOM 239 HG1 GLN 16 8.778 -22.261 17.121 1.00 37.53 ATOM 240 HG2 GLN 16 9.987 -22.078 15.853 1.00 43.00 ATOM 241 CD GLN 16 7.990 -22.217 15.144 1.00 44.42 ATOM 242 OE1 GLN 16 7.688 -21.499 14.196 1.00 71.41 ATOM 243 NE2 GLN 16 7.448 -23.404 15.321 1.00 14.13 ATOM 244 HE21 GLN 16 7.723 -23.927 16.099 1.00 25.51 ATOM 245 HE22 GLN 16 6.789 -23.712 14.664 1.00 63.33 ATOM 246 C GLN 16 9.658 -20.532 18.840 1.00 13.40 ATOM 247 O GLN 16 8.888 -20.036 19.666 1.00 0.10 ATOM 248 N THR 17 10.273 -21.702 19.035 1.00 44.12 ATOM 249 HN THR 17 10.902 -22.022 18.357 1.00 37.53 ATOM 250 CA THR 17 10.033 -22.531 20.225 1.00 41.34 ATOM 251 HA THR 17 8.964 -22.599 20.366 1.00 11.51 ATOM 252 CB THR 17 10.582 -23.966 20.030 1.00 73.23 ATOM 253 HB THR 17 11.652 -23.908 19.869 1.00 64.03 ATOM 254 OG1 THR 17 9.970 -24.572 18.878 1.00 40.23 ATOM 255 HG1 THR 17 10.596 -24.582 18.149 1.00 15.32 ATOM 256 CG2 THR 17 10.319 -24.836 21.257 1.00 31.51 ATOM 257 HG21 THR 17 10.793 -24.394 22.123 1.00 10.44 ATOM 258 HG22 THR 17 10.725 -25.823 21.093 1.00 22.14 ATOM 259 HG23 THR 17 9.254 -24.908 21.427 1.00 74.04 ATOM 260 C THR 17 10.657 -21.919 21.489 1.00 31.23 ATOM 261 O THR 17 10.035 -21.907 22.550 1.00 52.45 ATOM 262 N VAL 18 11.884 -21.407 21.371 1.00 53.11 ATOM 263 HN VAL 18 12.345 -21.470 20.510 1.00 37.53 ATOM 264 CA VAL 18 12.562 -20.756 22.503 1.00 24.24 ATOM 265 HA VAL 18 12.779 -21.517 23.242 1.00 63.22 ATOM 266 CB VAL 18 13.898 -20.096 22.067 1.00 41.40 ATOM 267 HB VAL 18 13.672 -19.351 21.315 1.00 75.14 ATOM 268 CG1 VAL 18 14.566 -19.387 23.246 1.00 31.23 ATOM 269 HG11 VAL 18 15.498 -18.947 22.922 1.00 61.13 ATOM 270 HG12 VAL 18 14.758 -20.099 24.035 1.00 55.13 ATOM 271 HG13 VAL 18 13.913 -18.609 23.616 1.00 34.52 ATOM 272 CG2 VAL 18 14.842 -21.124 21.447 1.00 62.23 ATOM 273 HG21 VAL 18 15.749 -20.633 21.121 1.00 71.04 ATOM 274 HG22 VAL 18 14.362 -21.589 20.598 1.00 60.52 ATOM 275 HG23 VAL 18 15.087 -21.881 22.180 1.00 24.43 ATOM 276 C VAL 18 11.664 -19.686 23.140 1.00 11.40 ATOM 277 O VAL 18 11.340 -19.752 24.325 1.00 1.21 ATOM 278 N THR 19 11.255 -18.709 22.335 1.00 65.54 ATOM 279 HN THR 19 11.565 -18.699 21.403 1.00 37.53 ATOM 280 CA THR 19 10.365 -17.641 22.803 1.00 65.43 ATOM 281 HA THR 19 10.856 -17.142 23.628 1.00 24.45 ATOM 282 CB THR 19 10.109 -16.600 21.687 1.00 40.22 ATOM 283 HB THR 19 9.592 -17.087 20.873 1.00 62.25 ATOM 284 OG1 THR 19 11.359 -16.080 21.200 1.00 74.54 ATOM 285 HG1 THR 19 11.879 -15.740 21.941 1.00 15.21 ATOM 286 CG2 THR 19 9.245 -15.449 22.192 1.00 72.53 ATOM 287 HG21 THR 19 9.100 -14.731 21.397 1.00 24.11 ATOM 288 HG22 THR 19 9.736 -14.965 23.025 1.00 70.52 ATOM 289 HG23 THR 19 8.285 -15.829 22.512 1.00 11.12 ATOM 290 C THR 19 9.019 -18.205 23.295 1.00 11.12 ATOM 291 O THR 19 8.460 -17.728 24.283 1.00 32.55 ATOM 292 N TRP 20 8.515 -19.232 22.605 1.00 23.42 ATOM 293 HN TRP 20 8.998 -19.555 21.814 1.00 37.53 ATOM 294 CA TRP 20 7.257 -19.895 22.984 1.00 12.42 ATOM 295 HA TRP 20 6.469 -19.157 22.932 1.00 2.23 ATOM 296 CB TRP 20 6.944 -21.022 21.988 1.00 61.33 ATOM 297 HB1 TRP 20 7.760 -21.732 21.998 1.00 37.53 ATOM 298 HB2 TRP 20 6.858 -20.601 20.998 1.00 63.15 ATOM 299 CG TRP 20 5.676 -21.773 22.274 1.00 71.40 ATOM 300 CD1 TRP 20 4.429 -21.244 22.461 1.00 41.35 ATOM 301 HD1 TRP 20 4.206 -20.186 22.437 1.00 40.01 ATOM 302 CD2 TRP 20 5.531 -23.195 22.385 1.00 50.24 ATOM 303 NE1 TRP 20 3.522 -22.248 22.692 1.00 33.43 ATOM 304 HE1 TRP 20 2.564 -22.120 22.857 1.00 51.12 ATOM 305 CE2 TRP 20 4.175 -23.455 22.649 1.00 72.10 ATOM 306 CE3 TRP 20 6.419 -24.271 22.289 1.00 24.05 ATOM 307 HE3 TRP 20 7.468 -24.113 22.091 1.00 40.24 ATOM 308 CZ2 TRP 20 3.684 -24.748 22.814 1.00 71.52 ATOM 309 HZ2 TRP 20 2.640 -24.941 23.016 1.00 70.53 ATOM 310 CZ3 TRP 20 5.931 -25.554 22.456 1.00 73.04 ATOM 311 HZ3 TRP 20 6.602 -26.398 22.384 1.00 55.13 ATOM 312 CH2 TRP 20 4.575 -25.782 22.715 1.00 63.32 ATOM 313 HH2 TRP 20 4.236 -26.799 22.837 1.00 53.10 ATOM 314 C TRP 20 7.315 -20.450 24.423 1.00 15.15 ATOM 315 O TRP 20 6.351 -20.338 25.185 1.00 10.21 ATOM 316 N LEU 21 8.450 -21.035 24.793 1.00 35.23 ATOM 317 HN LEU 21 9.176 -21.125 24.139 1.00 37.53 ATOM 318 CA LEU 21 8.641 -21.557 26.152 1.00 54.41 ATOM 319 HA LEU 21 7.796 -22.191 26.384 1.00 75.33 ATOM 320 CB LEU 21 9.924 -22.398 26.226 1.00 52.22 ATOM 321 HB1 LEU 21 10.053 -22.731 27.247 1.00 37.53 ATOM 322 HB2 LEU 21 10.761 -21.760 25.968 1.00 11.40 ATOM 323 CG LEU 21 9.959 -23.633 25.308 1.00 74.14 ATOM 324 HG LEU 21 9.890 -23.307 24.280 1.00 31.11 ATOM 325 CD1 LEU 21 11.275 -24.385 25.466 1.00 53.44 ATOM 326 HD11 LEU 21 12.097 -23.724 25.233 1.00 33.21 ATOM 327 HD12 LEU 21 11.290 -25.228 24.791 1.00 51.31 ATOM 328 HD13 LEU 21 11.373 -24.736 26.484 1.00 31.33 ATOM 329 CD2 LEU 21 8.773 -24.556 25.586 1.00 4.41 ATOM 330 HD21 LEU 21 8.801 -24.885 26.615 1.00 14.34 ATOM 331 HD22 LEU 21 8.825 -25.416 24.934 1.00 23.30 ATOM 332 HD23 LEU 21 7.850 -24.025 25.402 1.00 23.54 ATOM 333 C LEU 21 8.699 -20.420 27.187 1.00 72.20 ATOM 334 O LEU 21 8.210 -20.558 28.314 1.00 3.22 ATOM 335 N ILE 22 9.292 -19.294 26.797 1.00 71.43 ATOM 336 HN ILE 22 9.658 -19.237 25.886 1.00 37.53 ATOM 337 CA ILE 22 9.423 -18.142 27.695 1.00 73.11 ATOM 338 HA ILE 22 9.810 -18.508 28.638 1.00 32.43 ATOM 339 CB ILE 22 10.428 -17.098 27.138 1.00 3.20 ATOM 340 HB ILE 22 10.024 -16.699 26.218 1.00 32.42 ATOM 341 CG1 ILE 22 11.780 -17.769 26.842 1.00 70.41 ATOM 342 HG11 ILE 22 11.626 -18.585 26.149 1.00 37.53 ATOM 343 HG12 ILE 22 12.191 -18.159 27.761 1.00 53.01 ATOM 344 CG2 ILE 22 10.613 -15.934 28.121 1.00 30.20 ATOM 345 HG21 ILE 22 11.320 -15.224 27.712 1.00 12.43 ATOM 346 HG22 ILE 22 10.990 -16.308 29.064 1.00 61.12 ATOM 347 HG23 ILE 22 9.665 -15.441 28.283 1.00 3.22 ATOM 348 CD1 ILE 22 12.810 -16.835 26.239 1.00 42.41 ATOM 349 HD11 ILE 22 13.732 -17.373 26.077 1.00 34.50 ATOM 350 HD12 ILE 22 12.989 -16.011 26.913 1.00 5.34 ATOM 351 HD13 ILE 22 12.446 -16.455 25.294 1.00 21.31 ATOM 352 C ILE 22 8.061 -17.467 27.954 1.00 41.32 ATOM 353 O ILE 22 7.722 -17.164 29.100 1.00 21.22 ATOM 354 N THR 23 7.273 -17.245 26.894 1.00 63.20 ATOM 355 HN THR 23 7.587 -17.510 26.002 1.00 37.53 ATOM 356 CA THR 23 5.950 -16.600 27.034 1.00 2.31 ATOM 357 HA THR 23 6.107 -15.660 27.546 1.00 64.51 ATOM 358 CB THR 23 5.288 -16.285 25.667 1.00 54.25 ATOM 359 HB THR 23 5.885 -15.539 25.162 1.00 14.52 ATOM 360 OG1 THR 23 3.966 -15.759 25.868 1.00 51.22 ATOM 361 HG1 THR 23 4.021 -14.813 26.056 1.00 74.21 ATOM 362 CG2 THR 23 5.206 -17.520 24.778 1.00 41.54 ATOM 363 HG21 THR 23 4.588 -18.269 25.255 1.00 14.42 ATOM 364 HG22 THR 23 6.197 -17.920 24.624 1.00 21.44 ATOM 365 HG23 THR 23 4.775 -17.251 23.824 1.00 74.41 ATOM 366 C THR 23 4.981 -17.444 27.877 1.00 13.53 ATOM 367 O THR 23 4.250 -16.908 28.712 1.00 70.01 ATOM 368 N LEU 24 4.986 -18.764 27.671 1.00 73.03 ATOM 369 HN LEU 24 5.552 -19.136 26.963 1.00 37.53 ATOM 370 CA LEU 24 4.154 -19.674 28.475 1.00 32.15 ATOM 371 HA LEU 24 3.151 -19.269 28.488 1.00 41.44 ATOM 372 CB LEU 24 4.110 -21.077 27.840 1.00 13.04 ATOM 373 HB1 LEU 24 3.752 -21.775 28.584 1.00 37.53 ATOM 374 HB2 LEU 24 5.119 -21.357 27.571 1.00 41.13 ATOM 375 CG LEU 24 3.221 -21.220 26.588 1.00 11.34 ATOM 376 HG LEU 24 3.602 -20.586 25.797 1.00 74.22 ATOM 377 CD1 LEU 24 3.239 -22.657 26.073 1.00 11.24 ATOM 378 HD11 LEU 24 4.254 -22.942 25.837 1.00 42.44 ATOM 379 HD12 LEU 24 2.631 -22.729 25.182 1.00 51.34 ATOM 380 HD13 LEU 24 2.845 -23.320 26.832 1.00 62.15 ATOM 381 CD2 LEU 24 1.792 -20.781 26.901 1.00 60.31 ATOM 382 HD21 LEU 24 1.176 -20.901 26.023 1.00 63.31 ATOM 383 HD22 LEU 24 1.793 -19.742 27.200 1.00 12.14 ATOM 384 HD23 LEU 24 1.395 -21.385 27.706 1.00 14.23 ATOM 385 C LEU 24 4.654 -19.769 29.931 1.00 31.21 ATOM 386 O LEU 24 4.053 -20.454 30.758 1.00 14.34 ATOM 387 N GLY 25 5.763 -19.089 30.229 1.00 33.51 ATOM 388 HN GLY 25 6.226 -18.599 29.518 1.00 37.53 ATOM 389 CA GLY 25 6.293 -19.056 31.589 1.00 63.21 ATOM 390 HA1 GLY 25 5.504 -18.753 32.262 1.00 37.53 ATOM 391 HA2 GLY 25 7.082 -18.320 31.631 1.00 42.05 ATOM 392 C GLY 25 6.853 -20.394 32.059 1.00 23.32 ATOM 393 O GLY 25 7.069 -20.600 33.254 1.00 13.13 ATOM 394 N VAL 26 7.092 -21.307 31.119 1.00 11.25 ATOM 395 HN VAL 26 6.914 -21.081 30.181 1.00 37.53 ATOM 396 CA VAL 26 7.609 -22.637 31.451 1.00 52.22 ATOM 397 HA VAL 26 7.230 -22.907 32.429 1.00 1.43 ATOM 398 CB VAL 26 7.117 -23.698 30.432 1.00 63.54 ATOM 399 HB VAL 26 7.348 -24.679 30.830 1.00 44.12 ATOM 400 CG1 VAL 26 5.604 -23.605 30.265 1.00 54.00 ATOM 401 HG11 VAL 26 5.285 -24.282 29.488 1.00 13.00 ATOM 402 HG12 VAL 26 5.330 -22.596 29.996 1.00 33.04 ATOM 403 HG13 VAL 26 5.120 -23.873 31.194 1.00 53.02 ATOM 404 CG2 VAL 26 7.823 -23.552 29.085 1.00 43.44 ATOM 405 HG21 VAL 26 7.611 -22.577 28.671 1.00 42.12 ATOM 406 HG22 VAL 26 7.470 -24.316 28.405 1.00 5.31 ATOM 407 HG23 VAL 26 8.890 -23.660 29.221 1.00 42.44 ATOM 408 C VAL 26 9.143 -22.639 31.503 1.00 23.21 ATOM 409 O VAL 26 9.755 -23.490 32.151 1.00 34.15 ATOM 410 N LEU 27 9.751 -21.676 30.815 1.00 45.33 ATOM 411 HN LEU 27 9.206 -21.047 30.299 1.00 37.53 ATOM 412 CA LEU 27 11.206 -21.522 30.799 1.00 42.14 ATOM 413 HA LEU 27 11.618 -22.114 31.605 1.00 4.11 ATOM 414 CB LEU 27 11.772 -22.029 29.464 1.00 32.20 ATOM 415 HB1 LEU 27 11.325 -21.451 28.667 1.00 37.53 ATOM 416 HB2 LEU 27 11.476 -23.063 29.342 1.00 61.53 ATOM 417 CG LEU 27 13.303 -21.946 29.317 1.00 60.24 ATOM 418 HG LEU 27 13.615 -20.922 29.472 1.00 44.01 ATOM 419 CD1 LEU 27 13.998 -22.807 30.372 1.00 61.31 ATOM 420 HD11 LEU 27 13.655 -23.829 30.290 1.00 31.45 ATOM 421 HD12 LEU 27 13.766 -22.429 31.356 1.00 32.51 ATOM 422 HD13 LEU 27 15.067 -22.774 30.219 1.00 42.25 ATOM 423 CD2 LEU 27 13.730 -22.357 27.908 1.00 34.14 ATOM 424 HD21 LEU 27 13.434 -23.380 27.722 1.00 42.42 ATOM 425 HD22 LEU 27 14.804 -22.272 27.816 1.00 40.11 ATOM 426 HD23 LEU 27 13.258 -21.709 27.183 1.00 1.14 ATOM 427 C LEU 27 11.593 -20.051 31.012 1.00 41.12 ATOM 428 O LEU 27 11.043 -19.155 30.368 1.00 72.54 ATOM 429 N GLU 28 12.523 -19.807 31.931 1.00 22.44 ATOM 430 HN GLU 28 12.878 -20.553 32.460 1.00 37.53 ATOM 431 CA GLU 28 13.022 -18.451 32.187 1.00 51.40 ATOM 432 HA GLU 28 12.167 -17.806 32.335 1.00 65.51 ATOM 433 CB GLU 28 13.883 -18.436 33.461 1.00 63.20 ATOM 434 HB1 GLU 28 13.273 -18.751 34.296 1.00 37.53 ATOM 435 HB2 GLU 28 14.225 -17.426 33.641 1.00 34.32 ATOM 436 CG GLU 28 15.102 -19.353 33.392 1.00 72.45 ATOM 437 HG1 GLU 28 15.721 -19.042 32.561 1.00 37.53 ATOM 438 HG2 GLU 28 14.765 -20.367 33.224 1.00 64.32 ATOM 439 CD GLU 28 15.940 -19.327 34.662 1.00 4.53 ATOM 440 OE1 GLU 28 15.597 -20.050 35.626 1.00 52.12 ATOM 441 OE2 GLU 28 16.950 -18.596 34.701 1.00 14.10 ATOM 442 C GLU 28 13.839 -17.919 30.995 1.00 21.15 ATOM 443 O GLU 28 14.285 -18.685 30.140 1.00 60.30 ATOM 444 N SER 29 14.030 -16.603 30.947 1.00 14.32 ATOM 445 HN SER 29 13.627 -16.039 31.639 1.00 37.53 ATOM 446 CA SER 29 14.833 -15.976 29.887 1.00 2.32 ATOM 447 HA SER 29 14.418 -16.286 28.938 1.00 5.23 ATOM 448 CB SER 29 14.748 -14.445 29.991 1.00 14.32 ATOM 449 HB1 SER 29 15.058 -14.136 30.976 1.00 37.53 ATOM 450 HB2 SER 29 13.725 -14.136 29.827 1.00 53.21 ATOM 451 OG SER 29 15.575 -13.802 29.028 1.00 44.12 ATOM 452 HG SER 29 15.169 -12.964 28.772 1.00 53.43 ATOM 453 C SER 29 16.300 -16.436 29.962 1.00 11.22 ATOM 454 O SER 29 16.847 -16.601 31.054 1.00 33.01 ATOM 455 N PRO 30 16.956 -16.654 28.805 1.00 52.15 ATOM 456 CA PRO 30 18.347 -17.151 28.754 1.00 24.43 ATOM 457 HA PRO 30 18.424 -18.131 29.201 1.00 5.25 ATOM 458 CB PRO 30 18.632 -17.259 27.246 1.00 65.23 ATOM 459 HB1 PRO 30 18.514 -18.285 26.928 1.00 37.53 ATOM 460 HB2 PRO 30 19.643 -16.926 27.038 1.00 70.12 ATOM 461 CG PRO 30 17.624 -16.371 26.596 1.00 51.23 ATOM 462 HG1 PRO 30 17.410 -16.725 25.598 1.00 37.53 ATOM 463 HG2 PRO 30 17.994 -15.354 26.564 1.00 55.51 ATOM 464 CD PRO 30 16.397 -16.453 27.455 1.00 71.34 ATOM 465 HD1 PRO 30 15.784 -17.294 27.164 1.00 37.53 ATOM 466 HD2 PRO 30 15.830 -15.534 27.399 1.00 31.34 ATOM 467 C PRO 30 19.376 -16.216 29.419 1.00 12.24 ATOM 468 O PRO 30 19.032 -15.201 30.032 1.00 34.33 ATOM 469 N LYS 31 20.653 -16.573 29.277 1.00 34.10 ATOM 470 HN LYS 31 20.861 -17.398 28.794 1.00 37.53 ATOM 471 CA LYS 31 21.754 -15.763 29.807 1.00 74.32 ATOM 472 HA LYS 31 21.503 -15.481 30.821 1.00 1.01 ATOM 473 CB LYS 31 23.068 -16.572 29.815 1.00 72.34 ATOM 474 HB1 LYS 31 23.877 -15.910 30.097 1.00 37.53 ATOM 475 HB2 LYS 31 23.255 -16.938 28.815 1.00 44.31 ATOM 476 CG LYS 31 23.079 -17.770 30.772 1.00 41.42 ATOM 477 HG1 LYS 31 22.775 -17.431 31.752 1.00 37.53 ATOM 478 HG2 LYS 31 24.085 -18.158 30.828 1.00 44.32 ATOM 479 CD LYS 31 22.145 -18.900 30.331 1.00 1.32 ATOM 480 HD1 LYS 31 21.145 -18.502 30.220 1.00 37.53 ATOM 481 HD2 LYS 31 22.141 -19.664 31.094 1.00 30.33 ATOM 482 CE LYS 31 22.576 -19.534 29.008 1.00 40.42 ATOM 483 HE1 LYS 31 22.671 -18.756 28.264 1.00 37.53 ATOM 484 HE2 LYS 31 21.813 -20.233 28.696 1.00 35.10 ATOM 485 NZ LYS 31 23.873 -20.259 29.121 1.00 52.11 ATOM 486 HZ1 LYS 31 24.623 -19.617 29.444 1.00 4.24 ATOM 487 HZ2 LYS 31 24.148 -20.649 28.196 1.00 34.33 ATOM 488 HZ3 LYS 31 23.789 -21.045 29.800 1.00 44.51 ATOM 489 C LYS 31 21.924 -14.490 28.964 1.00 33.53 ATOM 490 O LYS 31 21.920 -13.372 29.485 1.00 41.12 ATOM 491 N LYS 32 22.078 -14.693 27.658 1.00 0.30 ATOM 492 HN LYS 32 22.148 -15.617 27.339 1.00 37.53 ATOM 493 CA LYS 32 22.154 -13.608 26.672 1.00 33.24 ATOM 494 HA LYS 32 21.578 -12.772 27.046 1.00 33.25 ATOM 495 CB LYS 32 23.617 -13.166 26.465 1.00 65.24 ATOM 496 HB1 LYS 32 23.686 -12.603 25.544 1.00 37.53 ATOM 497 HB2 LYS 32 24.235 -14.048 26.377 1.00 41.22 ATOM 498 CG LYS 32 24.185 -12.305 27.588 1.00 23.01 ATOM 499 HG1 LYS 32 25.229 -12.107 27.384 1.00 37.53 ATOM 500 HG2 LYS 32 24.095 -12.848 28.519 1.00 13.33 ATOM 501 CD LYS 32 23.440 -10.976 27.716 1.00 2.30 ATOM 502 HD1 LYS 32 22.452 -11.166 28.114 1.00 37.53 ATOM 503 HD2 LYS 32 23.355 -10.526 26.737 1.00 31.01 ATOM 504 CE LYS 32 24.169 -10.005 28.640 1.00 33.12 ATOM 505 HE1 LYS 32 24.335 -10.488 29.593 1.00 37.53 ATOM 506 HE2 LYS 32 23.551 -9.130 28.784 1.00 42.35 ATOM 507 NZ LYS 32 25.481 -9.581 28.076 1.00 41.15 ATOM 508 HZ1 LYS 32 25.956 -8.925 28.728 1.00 34.41 ATOM 509 HZ2 LYS 32 25.342 -9.101 27.163 1.00 11.30 ATOM 510 HZ3 LYS 32 26.092 -10.406 27.926 1.00 74.41 ATOM 511 C LYS 32 21.545 -14.066 25.333 1.00 61.22 ATOM 512 O LYS 32 20.811 -15.059 25.282 1.00 12.24 ATOM 513 N THR 33 21.841 -13.339 24.255 1.00 44.35 ATOM 514 HN THR 33 22.372 -12.523 24.358 1.00 37.53 ATOM 515 CA THR 33 21.391 -13.727 22.910 1.00 40.34 ATOM 516 HA THR 33 20.308 -13.737 22.915 1.00 14.52 ATOM 517 CB THR 33 21.858 -12.705 21.846 1.00 3.12 ATOM 518 HB THR 33 22.941 -12.679 21.840 1.00 1.34 ATOM 519 OG1 THR 33 21.362 -11.398 22.185 1.00 20.43 ATOM 520 HG1 THR 33 21.554 -10.785 21.462 1.00 52.04 ATOM 521 CG2 THR 33 21.368 -13.091 20.449 1.00 14.12 ATOM 522 HG21 THR 33 21.757 -14.065 20.184 1.00 21.22 ATOM 523 HG22 THR 33 21.712 -12.361 19.729 1.00 1.40 ATOM 524 HG23 THR 33 20.288 -13.120 20.441 1.00 4.50 ATOM 525 C THR 33 21.899 -15.131 22.544 1.00 1.23 ATOM 526 O THR 33 23.064 -15.461 22.772 1.00 64.11 ATOM 527 N ILE 34 21.016 -15.954 21.984 1.00 45.13 ATOM 528 HN ILE 34 20.138 -15.602 21.721 1.00 37.53 ATOM 529 CA ILE 34 21.318 -17.368 21.734 1.00 51.21 ATOM 530 HA ILE 34 22.087 -17.673 22.432 1.00 75.43 ATOM 531 CB ILE 34 20.067 -18.249 21.985 1.00 73.21 ATOM 532 HB ILE 34 19.320 -17.995 21.245 1.00 61.31 ATOM 533 CG1 ILE 34 19.496 -17.975 23.389 1.00 34.03 ATOM 534 HG11 ILE 34 19.278 -16.920 23.482 1.00 37.53 ATOM 535 HG12 ILE 34 20.230 -18.250 24.133 1.00 32.11 ATOM 536 CG2 ILE 34 20.412 -19.732 21.819 1.00 64.42 ATOM 537 HG21 ILE 34 21.173 -20.010 22.535 1.00 3.04 ATOM 538 HG22 ILE 34 20.781 -19.907 20.817 1.00 4.14 ATOM 539 HG23 ILE 34 19.527 -20.332 21.982 1.00 70.31 ATOM 540 CD1 ILE 34 18.223 -18.740 23.690 1.00 20.01 ATOM 541 HD11 ILE 34 18.413 -19.800 23.614 1.00 51.05 ATOM 542 HD12 ILE 34 17.457 -18.460 22.981 1.00 63.05 ATOM 543 HD13 ILE 34 17.890 -18.506 24.691 1.00 4.14 ATOM 544 C ILE 34 21.823 -17.610 20.303 1.00 62.14 ATOM 545 O ILE 34 21.112 -17.357 19.327 1.00 52.12 ATOM 546 N SER 35 23.053 -18.104 20.189 1.00 44.15 ATOM 547 HN SER 35 23.594 -18.223 21.000 1.00 37.53 ATOM 548 CA SER 35 23.627 -18.476 18.889 1.00 4.43 ATOM 549 HA SER 35 23.331 -17.725 18.168 1.00 33.12 ATOM 550 CB SER 35 25.160 -18.517 18.962 1.00 25.33 ATOM 551 HB1 SER 35 25.536 -17.526 19.174 1.00 37.53 ATOM 552 HB2 SER 35 25.555 -18.854 18.015 1.00 61.13 ATOM 553 OG SER 35 25.609 -19.403 19.981 1.00 73.45 ATOM 554 HG SER 35 25.772 -20.279 19.598 1.00 63.22 ATOM 555 C SER 35 23.101 -19.839 18.426 1.00 5.44 ATOM 556 O SER 35 22.754 -20.019 17.258 1.00 61.11 ATOM 557 N ASP 36 23.054 -20.799 19.349 1.00 54.54 ATOM 558 HN ASP 36 23.387 -20.602 20.250 1.00 37.53 ATOM 559 CA ASP 36 22.547 -22.146 19.063 1.00 65.12 ATOM 560 HA ASP 36 22.448 -22.242 17.989 1.00 73.45 ATOM 561 CB ASP 36 23.558 -23.192 19.557 1.00 45.41 ATOM 562 HB1 ASP 36 24.481 -23.077 19.006 1.00 37.53 ATOM 563 HB2 ASP 36 23.160 -24.182 19.377 1.00 1.14 ATOM 564 CG ASP 36 23.862 -23.050 21.042 1.00 40.31 ATOM 565 OD1 ASP 36 23.518 -23.963 21.819 1.00 73.44 ATOM 566 OD2 ASP 36 24.425 -22.008 21.445 1.00 13.23 ATOM 567 C ASP 36 21.160 -22.379 19.705 1.00 12.43 ATOM 568 O ASP 36 21.053 -22.867 20.832 1.00 14.03 ATOM 569 N PRO 37 20.065 -22.029 19.000 1.00 63.44 ATOM 570 CA PRO 37 18.704 -22.168 19.547 1.00 21.54 ATOM 571 HA PRO 37 18.594 -21.604 20.464 1.00 30.44 ATOM 572 CB PRO 37 17.813 -21.553 18.455 1.00 13.53 ATOM 573 HB1 PRO 37 17.594 -20.523 18.704 1.00 37.53 ATOM 574 HB2 PRO 37 16.889 -22.110 18.376 1.00 41.25 ATOM 575 CG PRO 37 18.621 -21.648 17.205 1.00 1.34 ATOM 576 HG1 PRO 37 18.337 -20.862 16.521 1.00 37.53 ATOM 577 HG2 PRO 37 18.476 -22.617 16.746 1.00 61.21 ATOM 578 CD PRO 37 20.056 -21.477 17.631 1.00 53.41 ATOM 579 HD1 PRO 37 20.328 -20.431 17.637 1.00 37.53 ATOM 580 HD2 PRO 37 20.714 -22.037 16.982 1.00 3.32 ATOM 581 C PRO 37 18.320 -23.631 19.810 1.00 44.34 ATOM 582 O PRO 37 17.640 -23.937 20.786 1.00 4.23 ATOM 583 N GLU 38 18.769 -24.527 18.933 1.00 71.23 ATOM 584 HN GLU 38 19.312 -24.222 18.181 1.00 37.53 ATOM 585 CA GLU 38 18.473 -25.958 19.064 1.00 51.23 ATOM 586 HA GLU 38 17.423 -26.049 19.306 1.00 53.02 ATOM 587 CB GLU 38 18.730 -26.672 17.726 1.00 3.42 ATOM 588 HB1 GLU 38 18.622 -27.739 17.870 1.00 37.53 ATOM 589 HB2 GLU 38 19.740 -26.460 17.403 1.00 44.21 ATOM 590 CG GLU 38 17.763 -26.236 16.622 1.00 55.22 ATOM 591 HG1 GLU 38 17.888 -25.174 16.456 1.00 37.53 ATOM 592 HG2 GLU 38 16.753 -26.423 16.959 1.00 4.21 ATOM 593 CD GLU 38 17.960 -26.963 15.300 1.00 71.20 ATOM 594 OE1 GLU 38 17.972 -28.209 15.298 1.00 25.21 ATOM 595 OE2 GLU 38 18.066 -26.287 14.252 1.00 14.22 ATOM 596 C GLU 38 19.285 -26.605 20.200 1.00 43.24 ATOM 597 O GLU 38 18.786 -27.473 20.917 1.00 31.31 ATOM 598 N GLY 39 20.532 -26.164 20.373 1.00 13.21 ATOM 599 HN GLY 39 20.890 -25.491 19.763 1.00 37.53 ATOM 600 CA GLY 39 21.362 -26.671 21.462 1.00 14.21 ATOM 601 HA1 GLY 39 22.373 -26.318 21.323 1.00 37.53 ATOM 602 HA2 GLY 39 21.364 -27.753 21.429 1.00 5.34 ATOM 603 C GLY 39 20.868 -26.219 22.835 1.00 40.12 ATOM 604 O GLY 39 20.740 -27.027 23.763 1.00 11.11 ATOM 605 N PHE 40 20.589 -24.921 22.960 1.00 22.41 ATOM 606 HN PHE 40 20.763 -24.326 22.197 1.00 37.53 ATOM 607 CA PHE 40 20.052 -24.345 24.201 1.00 22.25 ATOM 608 HA PHE 40 20.825 -24.406 24.954 1.00 33.44 ATOM 609 CB PHE 40 19.700 -22.866 23.971 1.00 24.12 ATOM 610 HB1 PHE 40 19.014 -22.794 23.138 1.00 37.53 ATOM 611 HB2 PHE 40 20.603 -22.322 23.730 1.00 25.41 ATOM 612 CG PHE 40 19.059 -22.195 25.162 1.00 51.45 ATOM 613 CD1 PHE 40 19.835 -21.727 26.214 1.00 44.22 ATOM 614 HD1 PHE 40 20.909 -21.844 26.176 1.00 50.35 ATOM 615 CD2 PHE 40 17.681 -22.033 25.228 1.00 61.30 ATOM 616 HD2 PHE 40 17.065 -22.391 24.414 1.00 61.22 ATOM 617 CE1 PHE 40 19.249 -21.115 27.306 1.00 31.34 ATOM 618 HE1 PHE 40 19.864 -20.756 28.120 1.00 53.24 ATOM 619 CE2 PHE 40 17.092 -21.422 26.317 1.00 3.13 ATOM 620 HE2 PHE 40 16.018 -21.303 26.356 1.00 21.01 ATOM 621 CZ PHE 40 17.876 -20.962 27.357 1.00 64.05 ATOM 622 HZ PHE 40 17.416 -20.484 28.211 1.00 20.34 ATOM 623 C PHE 40 18.811 -25.109 24.703 1.00 10.23 ATOM 624 O PHE 40 18.732 -25.484 25.876 1.00 41.10 ATOM 625 N LEU 41 17.848 -25.338 23.807 1.00 43.14 ATOM 626 HN LEU 41 17.974 -25.033 22.883 1.00 37.53 ATOM 627 CA LEU 41 16.606 -26.037 24.165 1.00 54.11 ATOM 628 HA LEU 41 16.115 -25.449 24.928 1.00 64.24 ATOM 629 CB LEU 41 15.676 -26.136 22.948 1.00 61.33 ATOM 630 HB1 LEU 41 14.844 -26.776 23.207 1.00 37.53 ATOM 631 HB2 LEU 41 16.226 -26.601 22.140 1.00 62.03 ATOM 632 CG LEU 41 15.114 -24.799 22.440 1.00 43.22 ATOM 633 HG LEU 41 15.936 -24.158 22.153 1.00 23.25 ATOM 634 CD1 LEU 41 14.237 -25.011 21.208 1.00 13.22 ATOM 635 HD11 LEU 41 13.872 -24.056 20.856 1.00 41.52 ATOM 636 HD12 LEU 41 13.399 -25.643 21.464 1.00 11.40 ATOM 637 HD13 LEU 41 14.818 -25.483 20.428 1.00 22.01 ATOM 638 CD2 LEU 41 14.334 -24.093 23.546 1.00 61.43 ATOM 639 HD21 LEU 41 14.994 -23.883 24.377 1.00 43.31 ATOM 640 HD22 LEU 41 13.525 -24.728 23.881 1.00 63.52 ATOM 641 HD23 LEU 41 13.929 -23.165 23.167 1.00 33.15 ATOM 642 C LEU 41 16.879 -27.438 24.734 1.00 71.20 ATOM 643 O LEU 41 16.245 -27.854 25.698 1.00 31.43 ATOM 644 N GLN 42 17.828 -28.161 24.144 1.00 1.01 ATOM 645 HN GLN 42 18.296 -27.794 23.364 1.00 37.53 ATOM 646 CA GLN 42 18.186 -29.497 24.636 1.00 31.50 ATOM 647 HA GLN 42 17.285 -30.097 24.628 1.00 61.45 ATOM 648 CB GLN 42 19.222 -30.150 23.700 1.00 53.13 ATOM 649 HB1 GLN 42 20.121 -29.550 23.704 1.00 37.53 ATOM 650 HB2 GLN 42 18.819 -30.161 22.697 1.00 4.14 ATOM 651 CG GLN 42 19.600 -31.586 24.076 1.00 31.45 ATOM 652 HG1 GLN 42 19.947 -32.095 23.187 1.00 37.53 ATOM 653 HG2 GLN 42 18.720 -32.089 24.449 1.00 65.32 ATOM 654 CD GLN 42 20.692 -31.675 25.137 1.00 13.21 ATOM 655 OE1 GLN 42 21.580 -30.833 25.207 1.00 62.11 ATOM 656 NE2 GLN 42 20.631 -32.692 25.974 1.00 75.45 ATOM 657 HE21 GLN 42 19.897 -33.332 25.873 1.00 74.11 ATOM 658 HE22 GLN 42 21.327 -32.764 26.661 1.00 45.53 ATOM 659 C GLN 42 18.714 -29.429 26.079 1.00 73.54 ATOM 660 O GLN 42 18.328 -30.230 26.932 1.00 1.14 ATOM 661 N ALA 43 19.582 -28.456 26.344 1.00 12.25 ATOM 662 HN ALA 43 19.839 -27.840 25.622 1.00 37.53 ATOM 663 CA ALA 43 20.170 -28.280 27.678 1.00 61.24 ATOM 664 HA ALA 43 20.646 -29.212 27.952 1.00 14.03 ATOM 665 CB ALA 43 21.247 -27.200 27.633 1.00 32.44 ATOM 666 HB1 ALA 43 21.717 -27.118 28.602 1.00 34.44 ATOM 667 HB2 ALA 43 20.798 -26.253 27.369 1.00 63.44 ATOM 668 HB3 ALA 43 21.989 -27.463 26.894 1.00 64.13 ATOM 669 C ALA 43 19.110 -27.935 28.743 1.00 45.31 ATOM 670 O ALA 43 19.182 -28.408 29.883 1.00 43.11 ATOM 671 N SER 44 18.129 -27.114 28.365 1.00 63.05 ATOM 672 HN SER 44 18.107 -26.798 27.434 1.00 37.53 ATOM 673 CA SER 44 17.077 -26.664 29.296 1.00 14.35 ATOM 674 HA SER 44 17.542 -26.486 30.256 1.00 22.15 ATOM 675 CB SER 44 16.458 -25.350 28.800 1.00 31.52 ATOM 676 HB1 SER 44 17.225 -24.592 28.750 1.00 37.53 ATOM 677 HB2 SER 44 15.687 -25.034 29.485 1.00 15.13 ATOM 678 OG SER 44 15.882 -25.502 27.512 1.00 52.45 ATOM 679 HG SER 44 15.791 -24.639 27.098 1.00 42.02 ATOM 680 C SER 44 15.971 -27.719 29.475 1.00 42.51 ATOM 681 O SER 44 15.612 -28.073 30.599 1.00 13.33 ATOM 682 N LEU 45 15.433 -28.221 28.363 1.00 72.32 ATOM 683 HN LEU 45 15.747 -27.889 27.493 1.00 37.53 ATOM 684 CA LEU 45 14.371 -29.241 28.399 1.00 60.43 ATOM 685 HA LEU 45 13.580 -28.874 29.040 1.00 72.22 ATOM 686 CB LEU 45 13.805 -29.458 26.990 1.00 50.41 ATOM 687 HB1 LEU 45 13.029 -30.210 27.047 1.00 37.53 ATOM 688 HB2 LEU 45 14.600 -29.837 26.361 1.00 31.11 ATOM 689 CG LEU 45 13.211 -28.208 26.318 1.00 31.42 ATOM 690 HG LEU 45 13.971 -27.440 26.275 1.00 11.32 ATOM 691 CD1 LEU 45 12.786 -28.517 24.886 1.00 60.42 ATOM 692 HD11 LEU 45 13.638 -28.874 24.327 1.00 42.22 ATOM 693 HD12 LEU 45 12.405 -27.619 24.421 1.00 24.35 ATOM 694 HD13 LEU 45 12.015 -29.274 24.890 1.00 52.22 ATOM 695 CD2 LEU 45 12.036 -27.663 27.128 1.00 45.10 ATOM 696 HD21 LEU 45 12.372 -27.406 28.122 1.00 32.40 ATOM 697 HD22 LEU 45 11.259 -28.412 27.193 1.00 1.43 ATOM 698 HD23 LEU 45 11.643 -26.780 26.645 1.00 73.13 ATOM 699 C LEU 45 14.882 -30.577 28.964 1.00 74.41 ATOM 700 O LEU 45 14.092 -31.437 29.353 1.00 42.52 ATOM 701 N LYS 46 16.205 -30.722 29.009 1.00 31.43 ATOM 702 HN LYS 46 16.761 -29.998 28.653 1.00 37.53 ATOM 703 CA LYS 46 16.871 -31.919 29.541 1.00 22.22 ATOM 704 HA LYS 46 16.805 -32.697 28.795 1.00 44.03 ATOM 705 CB LYS 46 18.349 -31.594 29.788 1.00 42.20 ATOM 706 HB1 LYS 46 18.409 -30.807 30.526 1.00 37.53 ATOM 707 HB2 LYS 46 18.782 -31.236 28.865 1.00 12.55 ATOM 708 CG LYS 46 19.180 -32.774 30.277 1.00 11.53 ATOM 709 HG1 LYS 46 19.316 -33.467 29.457 1.00 37.53 ATOM 710 HG2 LYS 46 18.647 -33.269 31.076 1.00 44.32 ATOM 711 CD LYS 46 20.555 -32.344 30.794 1.00 33.21 ATOM 712 HD1 LYS 46 21.009 -31.680 30.071 1.00 37.53 ATOM 713 HD2 LYS 46 21.172 -33.223 30.908 1.00 20.10 ATOM 714 CE LYS 46 20.474 -31.625 32.144 1.00 34.23 ATOM 715 HE1 LYS 46 21.471 -31.557 32.558 1.00 37.53 ATOM 716 HE2 LYS 46 19.854 -32.207 32.810 1.00 64.52 ATOM 717 NZ LYS 46 19.905 -30.251 32.041 1.00 21.54 ATOM 718 HZ1 LYS 46 20.578 -29.617 31.564 1.00 52.42 ATOM 719 HZ2 LYS 46 19.705 -29.875 32.990 1.00 4.54 ATOM 720 HZ3 LYS 46 19.018 -30.266 31.504 1.00 64.51 ATOM 721 C LYS 46 16.236 -32.421 30.854 1.00 25.35 ATOM 722 O LYS 46 15.887 -33.596 30.979 1.00 54.31 ATOM 723 N ASP 47 16.088 -31.513 31.823 1.00 54.35 ATOM 724 HN ASP 47 16.329 -30.580 31.636 1.00 37.53 ATOM 725 CA ASP 47 15.583 -31.859 33.162 1.00 20.44 ATOM 726 HA ASP 47 16.226 -32.629 33.563 1.00 41.31 ATOM 727 CB ASP 47 15.664 -30.629 34.074 1.00 62.14 ATOM 728 HB1 ASP 47 15.230 -30.872 35.036 1.00 37.53 ATOM 729 HB2 ASP 47 15.101 -29.820 33.628 1.00 12.41 ATOM 730 CG ASP 47 17.092 -30.159 34.291 1.00 32.32 ATOM 731 OD1 ASP 47 17.603 -30.290 35.422 1.00 74.34 ATOM 732 OD2 ASP 47 17.715 -29.660 33.328 1.00 4.42 ATOM 733 C ASP 47 14.137 -32.392 33.139 1.00 52.12 ATOM 734 O ASP 47 13.664 -32.973 34.121 1.00 24.23 ATOM 735 N GLY 48 13.429 -32.175 32.032 1.00 3.22 ATOM 736 HN GLY 48 13.855 -31.720 31.275 1.00 37.53 ATOM 737 CA GLY 48 12.045 -32.627 31.921 1.00 22.43 ATOM 738 HA1 GLY 48 11.963 -33.610 32.365 1.00 37.53 ATOM 739 HA2 GLY 48 11.788 -32.700 30.874 1.00 73.42 ATOM 740 C GLY 48 11.043 -31.696 32.605 1.00 34.42 ATOM 741 O GLY 48 9.930 -31.509 32.114 1.00 74.34 ATOM 742 N VAL 49 11.442 -31.110 33.736 1.00 31.23 ATOM 743 HN VAL 49 12.340 -31.306 34.074 1.00 37.53 ATOM 744 CA VAL 49 10.578 -30.203 34.508 1.00 24.22 ATOM 745 HA VAL 49 9.792 -30.799 34.953 1.00 42.24 ATOM 746 CB VAL 49 11.370 -29.517 35.653 1.00 60.52 ATOM 747 HB VAL 49 12.126 -28.884 35.208 1.00 31.03 ATOM 748 CG1 VAL 49 10.456 -28.631 36.501 1.00 23.34 ATOM 749 HG11 VAL 49 9.669 -29.232 36.936 1.00 2.43 ATOM 750 HG12 VAL 49 10.019 -27.865 35.878 1.00 24.12 ATOM 751 HG13 VAL 49 11.032 -28.167 37.289 1.00 32.31 ATOM 752 CG2 VAL 49 12.078 -30.558 36.523 1.00 24.44 ATOM 753 HG21 VAL 49 12.771 -31.127 35.919 1.00 3.05 ATOM 754 HG22 VAL 49 11.346 -31.226 36.955 1.00 54.34 ATOM 755 HG23 VAL 49 12.619 -30.059 37.315 1.00 11.04 ATOM 756 C VAL 49 9.931 -29.119 33.621 1.00 74.24 ATOM 757 O VAL 49 8.733 -28.849 33.727 1.00 73.40 ATOM 758 N VAL 50 10.727 -28.507 32.744 1.00 13.21 ATOM 759 HN VAL 50 11.679 -28.738 32.725 1.00 37.53 ATOM 760 CA VAL 50 10.221 -27.488 31.813 1.00 53.53 ATOM 761 HA VAL 50 9.823 -26.672 32.402 1.00 64.42 ATOM 762 CB VAL 50 11.361 -26.930 30.922 1.00 22.31 ATOM 763 HB VAL 50 11.734 -27.740 30.308 1.00 11.24 ATOM 764 CG1 VAL 50 10.842 -25.834 29.992 1.00 13.44 ATOM 765 HG11 VAL 50 11.657 -25.450 29.394 1.00 53.12 ATOM 766 HG12 VAL 50 10.416 -25.032 30.578 1.00 55.31 ATOM 767 HG13 VAL 50 10.083 -26.244 29.340 1.00 52.33 ATOM 768 CG2 VAL 50 12.516 -26.413 31.781 1.00 75.33 ATOM 769 HG21 VAL 50 13.300 -26.032 31.142 1.00 5.23 ATOM 770 HG22 VAL 50 12.908 -27.221 32.383 1.00 3.41 ATOM 771 HG23 VAL 50 12.163 -25.622 32.429 1.00 53.32 ATOM 772 C VAL 50 9.095 -28.049 30.921 1.00 55.31 ATOM 773 O VAL 50 8.093 -27.376 30.664 1.00 72.22 ATOM 774 N LEU 51 9.259 -29.293 30.469 1.00 50.45 ATOM 775 HN LEU 51 10.084 -29.773 30.690 1.00 37.53 ATOM 776 CA LEU 51 8.236 -29.974 29.666 1.00 50.40 ATOM 777 HA LEU 51 8.002 -29.342 28.820 1.00 10.11 ATOM 778 CB LEU 51 8.770 -31.318 29.152 1.00 13.55 ATOM 779 HB1 LEU 51 7.965 -31.831 28.645 1.00 37.53 ATOM 780 HB2 LEU 51 9.067 -31.910 30.007 1.00 23.43 ATOM 781 CG LEU 51 9.963 -31.231 28.188 1.00 13.41 ATOM 782 HG LEU 51 10.769 -30.691 28.667 1.00 0.25 ATOM 783 CD1 LEU 51 10.476 -32.625 27.842 1.00 73.12 ATOM 784 HD11 LEU 51 11.333 -32.541 27.190 1.00 64.52 ATOM 785 HD12 LEU 51 9.698 -33.186 27.344 1.00 20.22 ATOM 786 HD13 LEU 51 10.765 -33.139 28.748 1.00 4.14 ATOM 787 CD2 LEU 51 9.574 -30.473 26.921 1.00 2.13 ATOM 788 HD21 LEU 51 10.422 -30.425 26.254 1.00 1.30 ATOM 789 HD22 LEU 51 9.268 -29.470 27.182 1.00 24.13 ATOM 790 HD23 LEU 51 8.756 -30.982 26.429 1.00 51.22 ATOM 791 C LEU 51 6.957 -30.201 30.485 1.00 41.21 ATOM 792 O LEU 51 5.846 -30.007 29.988 1.00 51.14 ATOM 793 N CYS 52 7.124 -30.613 31.743 1.00 52.02 ATOM 794 HN CYS 52 8.033 -30.806 32.065 1.00 37.53 ATOM 795 CA CYS 52 5.987 -30.800 32.656 1.00 1.44 ATOM 796 HA CYS 52 5.349 -31.565 32.235 1.00 61.31 ATOM 797 CB CYS 52 6.478 -31.263 34.036 1.00 63.12 ATOM 798 HB1 CYS 52 5.625 -31.465 34.667 1.00 37.53 ATOM 799 HB2 CYS 52 7.073 -30.479 34.483 1.00 54.44 ATOM 800 SG CYS 52 7.494 -32.761 33.997 1.00 51.33 ATOM 801 HG CYS 52 6.841 -33.688 33.308 1.00 31.04 ATOM 802 C CYS 52 5.178 -29.501 32.794 1.00 62.30 ATOM 803 O CYS 52 3.948 -29.511 32.733 1.00 1.20 ATOM 804 N ARG 53 5.884 -28.381 32.969 1.00 35.52 ATOM 805 HN ARG 53 6.859 -28.446 33.076 1.00 37.53 ATOM 806 CA ARG 53 5.244 -27.058 33.006 1.00 73.40 ATOM 807 HA ARG 53 4.549 -27.040 33.834 1.00 12.12 ATOM 808 CB ARG 53 6.296 -25.955 33.205 1.00 44.31 ATOM 809 HB1 ARG 53 5.785 -25.005 33.291 1.00 37.53 ATOM 810 HB2 ARG 53 6.935 -25.926 32.333 1.00 50.44 ATOM 811 CG ARG 53 7.183 -26.128 34.434 1.00 74.33 ATOM 812 HG1 ARG 53 7.653 -27.101 34.395 1.00 37.53 ATOM 813 HG2 ARG 53 6.573 -26.056 35.324 1.00 62.22 ATOM 814 CD ARG 53 8.268 -25.054 34.481 1.00 61.20 ATOM 815 HD1 ARG 53 7.792 -24.087 34.582 1.00 37.53 ATOM 816 HD2 ARG 53 8.820 -25.081 33.552 1.00 20.51 ATOM 817 NE ARG 53 9.203 -25.236 35.590 1.00 61.33 ATOM 818 HE ARG 53 8.875 -25.691 36.393 1.00 52.33 ATOM 819 CZ ARG 53 10.443 -24.821 35.579 1.00 25.04 ATOM 820 NH1 ARG 53 10.935 -24.212 34.542 1.00 54.50 ATOM 821 HH11 ARG 53 10.370 -24.055 33.735 1.00 51.44 ATOM 822 HH12 ARG 53 11.883 -23.895 34.555 1.00 34.20 ATOM 823 NH2 ARG 53 11.196 -25.012 36.613 1.00 42.32 ATOM 824 HH21 ARG 53 10.831 -25.474 37.420 1.00 34.21 ATOM 825 HH22 ARG 53 12.145 -24.707 36.597 1.00 64.21 ATOM 826 C ARG 53 4.483 -26.788 31.698 1.00 4.44 ATOM 827 O ARG 53 3.329 -26.360 31.708 1.00 20.01 ATOM 828 N LEU 54 5.161 -27.044 30.579 1.00 54.23 ATOM 829 HN LEU 54 6.078 -27.385 30.655 1.00 37.53 ATOM 830 CA LEU 54 4.601 -26.838 29.238 1.00 55.33 ATOM 831 HA LEU 54 4.430 -25.779 29.109 1.00 11.41 ATOM 832 CB LEU 54 5.620 -27.309 28.186 1.00 72.31 ATOM 833 HB1 LEU 54 5.813 -28.360 28.352 1.00 37.53 ATOM 834 HB2 LEU 54 6.543 -26.767 28.346 1.00 21.53 ATOM 835 CG LEU 54 5.207 -27.127 26.717 1.00 2.30 ATOM 836 HG LEU 54 4.281 -27.659 26.542 1.00 44.03 ATOM 837 CD1 LEU 54 4.965 -25.655 26.402 1.00 35.33 ATOM 838 HD11 LEU 54 4.657 -25.553 25.372 1.00 41.55 ATOM 839 HD12 LEU 54 5.875 -25.094 26.563 1.00 72.14 ATOM 840 HD13 LEU 54 4.188 -25.270 27.047 1.00 0.14 ATOM 841 CD2 LEU 54 6.269 -27.715 25.786 1.00 41.13 ATOM 842 HD21 LEU 54 5.971 -27.567 24.758 1.00 23.12 ATOM 843 HD22 LEU 54 6.370 -28.773 25.979 1.00 0.02 ATOM 844 HD23 LEU 54 7.216 -27.225 25.960 1.00 53.34 ATOM 845 C LEU 54 3.267 -27.577 29.058 1.00 13.23 ATOM 846 O LEU 54 2.272 -26.992 28.619 1.00 32.24 ATOM 847 N LEU 55 3.249 -28.859 29.408 1.00 30.45 ATOM 848 HN LEU 55 4.068 -29.271 29.761 1.00 37.53 ATOM 849 CA LEU 55 2.042 -29.673 29.273 1.00 2.31 ATOM 850 HA LEU 55 1.713 -29.594 28.245 1.00 23.42 ATOM 851 CB LEU 55 2.349 -31.145 29.578 1.00 44.13 ATOM 852 HB1 LEU 55 2.618 -31.227 30.622 1.00 37.53 ATOM 853 HB2 LEU 55 3.202 -31.441 28.982 1.00 62.24 ATOM 854 CG LEU 55 1.196 -32.127 29.299 1.00 2.22 ATOM 855 HG LEU 55 0.351 -31.861 29.916 1.00 23.25 ATOM 856 CD1 LEU 55 0.749 -32.049 27.840 1.00 1.12 ATOM 857 HD11 LEU 55 0.421 -31.044 27.617 1.00 15.03 ATOM 858 HD12 LEU 55 -0.067 -32.737 27.676 1.00 62.51 ATOM 859 HD13 LEU 55 1.575 -32.310 27.193 1.00 74.12 ATOM 860 CD2 LEU 55 1.607 -33.551 29.658 1.00 33.11 ATOM 861 HD21 LEU 55 0.785 -34.223 29.459 1.00 62.34 ATOM 862 HD22 LEU 55 1.861 -33.597 30.706 1.00 43.13 ATOM 863 HD23 LEU 55 2.463 -33.844 29.067 1.00 75.04 ATOM 864 C LEU 55 0.912 -29.158 30.184 1.00 23.31 ATOM 865 O LEU 55 -0.241 -29.110 29.771 1.00 45.14 ATOM 866 N GLU 56 1.249 -28.763 31.413 1.00 41.11 ATOM 867 HN GLU 56 2.183 -28.845 31.702 1.00 37.53 ATOM 868 CA GLU 56 0.249 -28.226 32.353 1.00 63.54 ATOM 869 HA GLU 56 -0.582 -28.918 32.365 1.00 14.14 ATOM 870 CB GLU 56 0.835 -28.143 33.772 1.00 52.30 ATOM 871 HB1 GLU 56 0.146 -27.601 34.404 1.00 37.53 ATOM 872 HB2 GLU 56 1.771 -27.601 33.731 1.00 61.42 ATOM 873 CG GLU 56 1.104 -29.503 34.417 1.00 4.01 ATOM 874 HG1 GLU 56 1.573 -29.344 35.380 1.00 37.53 ATOM 875 HG2 GLU 56 1.781 -30.059 33.783 1.00 54.11 ATOM 876 CD GLU 56 -0.162 -30.329 34.620 1.00 41.41 ATOM 877 OE1 GLU 56 -0.549 -31.072 33.696 1.00 34.53 ATOM 878 OE2 GLU 56 -0.773 -30.245 35.709 1.00 5.31 ATOM 879 C GLU 56 -0.285 -26.844 31.916 1.00 43.34 ATOM 880 O GLU 56 -1.384 -26.446 32.303 1.00 60.21 ATOM 881 N ARG 57 0.498 -26.106 31.127 1.00 4.04 ATOM 882 HN ARG 57 1.396 -26.434 30.904 1.00 37.53 ATOM 883 CA ARG 57 0.051 -24.809 30.591 1.00 34.24 ATOM 884 HA ARG 57 -0.423 -24.265 31.396 1.00 31.12 ATOM 885 CB ARG 57 1.250 -23.994 30.082 1.00 62.30 ATOM 886 HB1 ARG 57 0.883 -23.166 29.490 1.00 37.53 ATOM 887 HB2 ARG 57 1.859 -24.627 29.453 1.00 13.11 ATOM 888 CG ARG 57 2.135 -23.430 31.190 1.00 53.01 ATOM 889 HG1 ARG 57 3.008 -22.973 30.744 1.00 37.53 ATOM 890 HG2 ARG 57 2.445 -24.238 31.837 1.00 11.54 ATOM 891 CD ARG 57 1.401 -22.386 32.025 1.00 63.20 ATOM 892 HD1 ARG 57 0.568 -22.861 32.523 1.00 37.53 ATOM 893 HD2 ARG 57 1.031 -21.611 31.367 1.00 61.31 ATOM 894 NE ARG 57 2.273 -21.780 33.029 1.00 21.44 ATOM 895 HE ARG 57 3.067 -22.281 33.299 1.00 45.43 ATOM 896 CZ ARG 57 2.059 -20.618 33.587 1.00 54.32 ATOM 897 NH1 ARG 57 1.033 -19.899 33.252 1.00 54.13 ATOM 898 HH11 ARG 57 0.393 -20.233 32.561 1.00 32.31 ATOM 899 HH12 ARG 57 0.880 -19.018 33.686 1.00 42.42 ATOM 900 NH2 ARG 57 2.890 -20.170 34.471 1.00 22.32 ATOM 901 HH21 ARG 57 3.686 -20.717 34.724 1.00 1.44 ATOM 902 HH22 ARG 57 2.735 -19.284 34.901 1.00 73.22 ATOM 903 C ARG 57 -0.970 -24.987 29.457 1.00 34.43 ATOM 904 O ARG 57 -1.912 -24.206 29.326 1.00 11.14 ATOM 905 N LEU 58 -0.770 -26.014 28.636 1.00 73.43 ATOM 906 HN LEU 58 -0.015 -26.617 28.806 1.00 37.53 ATOM 907 CA LEU 58 -1.649 -26.274 27.489 1.00 62.13 ATOM 908 HA LEU 58 -2.061 -25.328 27.164 1.00 74.13 ATOM 909 CB LEU 58 -0.827 -26.877 26.342 1.00 52.43 ATOM 910 HB1 LEU 58 -1.482 -27.031 25.495 1.00 37.53 ATOM 911 HB2 LEU 58 -0.449 -27.838 26.664 1.00 70.15 ATOM 912 CG LEU 58 0.364 -26.015 25.880 1.00 72.51 ATOM 913 HG LEU 58 1.005 -25.826 26.730 1.00 21.34 ATOM 914 CD1 LEU 58 1.197 -26.743 24.830 1.00 23.31 ATOM 915 HD11 LEU 58 0.585 -26.962 23.966 1.00 25.40 ATOM 916 HD12 LEU 58 1.573 -27.667 25.247 1.00 4.54 ATOM 917 HD13 LEU 58 2.028 -26.120 24.533 1.00 73.10 ATOM 918 CD2 LEU 58 -0.118 -24.665 25.349 1.00 14.54 ATOM 919 HD21 LEU 58 -0.782 -24.820 24.511 1.00 60.52 ATOM 920 HD22 LEU 58 0.733 -24.079 25.031 1.00 43.24 ATOM 921 HD23 LEU 58 -0.643 -24.136 26.132 1.00 61.03 ATOM 922 C LEU 58 -2.807 -27.213 27.876 1.00 44.21 ATOM 923 O LEU 58 -3.975 -26.933 27.599 1.00 14.13 ATOM 924 N LEU 59 -2.467 -28.333 28.507 1.00 41.54 ATOM 925 HN LEU 59 -1.518 -28.534 28.628 1.00 37.53 ATOM 926 CA LEU 59 -3.458 -29.278 29.038 1.00 64.22 ATOM 927 HA LEU 59 -4.446 -28.893 28.821 1.00 13.50 ATOM 928 CB LEU 59 -3.298 -30.654 28.370 1.00 43.24 ATOM 929 HB1 LEU 59 -4.035 -31.324 28.792 1.00 37.53 ATOM 930 HB2 LEU 59 -2.313 -31.036 28.613 1.00 3.21 ATOM 931 CG LEU 59 -3.456 -30.669 26.840 1.00 3.12 ATOM 932 HG LEU 59 -2.723 -30.003 26.405 1.00 21.35 ATOM 933 CD1 LEU 59 -3.202 -32.066 26.281 1.00 45.40 ATOM 934 HD11 LEU 59 -2.200 -32.380 26.536 1.00 1.11 ATOM 935 HD12 LEU 59 -3.309 -32.051 25.206 1.00 20.43 ATOM 936 HD13 LEU 59 -3.915 -32.760 26.703 1.00 3.24 ATOM 937 CD2 LEU 59 -4.842 -30.170 26.435 1.00 21.35 ATOM 938 HD21 LEU 59 -5.599 -30.792 26.894 1.00 12.25 ATOM 939 HD22 LEU 59 -4.943 -30.216 25.360 1.00 51.41 ATOM 940 HD23 LEU 59 -4.967 -29.148 26.762 1.00 13.20 ATOM 941 C LEU 59 -3.299 -29.410 30.565 1.00 15.04 ATOM 942 O LEU 59 -2.600 -30.302 31.053 1.00 23.10 ATOM 943 N PRO 60 -3.935 -28.508 31.339 1.00 20.44 ATOM 944 CA PRO 60 -3.770 -28.461 32.804 1.00 71.43 ATOM 945 HA PRO 60 -2.728 -28.354 33.074 1.00 55.15 ATOM 946 CB PRO 60 -4.531 -27.186 33.206 1.00 10.42 ATOM 947 HB1 PRO 60 -3.841 -26.357 33.271 1.00 37.53 ATOM 948 HB2 PRO 60 -5.013 -27.332 34.164 1.00 4.34 ATOM 949 CG PRO 60 -5.529 -26.979 32.115 1.00 5.31 ATOM 950 HG1 PRO 60 -5.772 -25.929 32.032 1.00 37.53 ATOM 951 HG2 PRO 60 -6.421 -27.556 32.317 1.00 4.12 ATOM 952 CD PRO 60 -4.862 -27.465 30.855 1.00 10.32 ATOM 953 HD1 PRO 60 -4.319 -26.662 30.377 1.00 37.53 ATOM 954 HD2 PRO 60 -5.593 -27.883 30.175 1.00 63.45 ATOM 955 C PRO 60 -4.349 -29.689 33.525 1.00 64.31 ATOM 956 O PRO 60 -5.518 -30.044 33.344 1.00 3.14 ATOM 957 N GLY 61 -3.522 -30.335 34.345 1.00 50.35 ATOM 958 HN GLY 61 -2.588 -30.036 34.418 1.00 37.53 ATOM 959 CA GLY 61 -3.974 -31.483 35.126 1.00 14.23 ATOM 960 HA1 GLY 61 -5.049 -31.429 35.240 1.00 37.53 ATOM 961 HA2 GLY 61 -3.523 -31.431 36.106 1.00 65.31 ATOM 962 C GLY 61 -3.614 -32.825 34.499 1.00 54.33 ATOM 963 O GLY 61 -4.167 -33.858 34.872 1.00 61.44 ATOM 964 N THR 62 -2.683 -32.818 33.552 1.00 70.13 ATOM 965 HN THR 62 -2.259 -31.966 33.303 1.00 37.53 ATOM 966 CA THR 62 -2.266 -34.049 32.870 1.00 75.03 ATOM 967 HA THR 62 -3.113 -34.724 32.855 1.00 2.23 ATOM 968 CB THR 62 -1.844 -33.771 31.408 1.00 71.23 ATOM 969 HB THR 62 -0.947 -33.164 31.415 1.00 13.13 ATOM 970 OG1 THR 62 -2.883 -33.061 30.719 1.00 21.04 ATOM 971 HG1 THR 62 -2.664 -32.122 30.697 1.00 12.32 ATOM 972 CG2 THR 62 -1.549 -35.067 30.664 1.00 12.54 ATOM 973 HG21 THR 62 -1.256 -34.840 29.650 1.00 24.31 ATOM 974 HG22 THR 62 -2.434 -35.685 30.652 1.00 14.41 ATOM 975 HG23 THR 62 -0.747 -35.594 31.158 1.00 14.30 ATOM 976 C THR 62 -1.103 -34.733 33.604 1.00 10.30 ATOM 977 O THR 62 -1.110 -35.952 33.801 1.00 73.15 ATOM 978 N ILE 63 -0.106 -33.947 34.008 1.00 43.52 ATOM 979 HN ILE 63 -0.151 -32.983 33.817 1.00 37.53 ATOM 980 CA ILE 63 1.050 -34.479 34.741 1.00 23.41 ATOM 981 HA ILE 63 1.474 -35.283 34.155 1.00 5.44 ATOM 982 CB ILE 63 2.140 -33.395 34.942 1.00 72.34 ATOM 983 HB ILE 63 1.697 -32.575 35.490 1.00 5.43 ATOM 984 CG1 ILE 63 2.641 -32.870 33.586 1.00 43.05 ATOM 985 HG11 ILE 63 3.348 -32.070 33.757 1.00 37.53 ATOM 986 HG12 ILE 63 1.803 -32.485 33.024 1.00 53.14 ATOM 987 CG2 ILE 63 3.306 -33.940 35.771 1.00 53.12 ATOM 988 HG21 ILE 63 2.952 -34.220 36.752 1.00 33.43 ATOM 989 HG22 ILE 63 4.066 -33.178 35.869 1.00 20.13 ATOM 990 HG23 ILE 63 3.729 -34.806 35.279 1.00 61.15 ATOM 991 CD1 ILE 63 3.325 -33.917 32.732 1.00 25.02 ATOM 992 HD11 ILE 63 3.629 -33.473 31.796 1.00 20.21 ATOM 993 HD12 ILE 63 2.640 -34.730 32.538 1.00 2.54 ATOM 994 HD13 ILE 63 4.195 -34.295 33.249 1.00 1.50 ATOM 995 C ILE 63 0.627 -35.033 36.110 1.00 14.41 ATOM 996 O ILE 63 0.111 -34.297 36.960 1.00 4.32 ATOM 997 N GLU 64 0.859 -36.329 36.320 1.00 71.24 ATOM 998 HN GLU 64 1.325 -36.846 35.627 1.00 37.53 ATOM 999 CA GLU 64 0.452 -37.003 37.558 1.00 62.53 ATOM 1000 HA GLU 64 -0.466 -36.543 37.900 1.00 33.05 ATOM 1001 CB GLU 64 0.188 -38.492 37.278 1.00 23.12 ATOM 1002 HB1 GLU 64 1.128 -38.975 37.049 1.00 37.53 ATOM 1003 HB2 GLU 64 -0.462 -38.574 36.418 1.00 4.44 ATOM 1004 CG GLU 64 -0.463 -39.241 38.439 1.00 3.04 ATOM 1005 HG1 GLU 64 -1.401 -38.759 38.680 1.00 37.53 ATOM 1006 HG2 GLU 64 0.194 -39.190 39.297 1.00 24.14 ATOM 1007 CD GLU 64 -0.739 -40.705 38.120 1.00 20.20 ATOM 1008 OE1 GLU 64 -0.348 -41.582 38.921 1.00 1.30 ATOM 1009 OE2 GLU 64 -1.351 -40.985 37.069 1.00 5.23 ATOM 1010 C GLU 64 1.521 -36.844 38.651 1.00 12.03 ATOM 1011 O GLU 64 1.203 -36.703 39.838 1.00 24.24 ATOM 1012 N LYS 65 2.791 -36.871 38.246 1.00 3.13 ATOM 1013 HN LYS 65 2.986 -37.040 37.296 1.00 37.53 ATOM 1014 CA LYS 65 3.907 -36.659 39.177 1.00 63.02 ATOM 1015 HA LYS 65 3.571 -35.969 39.939 1.00 14.12 ATOM 1016 CB LYS 65 4.314 -37.981 39.849 1.00 70.55 ATOM 1017 HB1 LYS 65 4.633 -38.678 39.088 1.00 37.53 ATOM 1018 HB2 LYS 65 3.456 -38.390 40.364 1.00 32.42 ATOM 1019 CG LYS 65 5.449 -37.820 40.859 1.00 73.51 ATOM 1020 HG1 LYS 65 5.178 -37.048 41.564 1.00 37.53 ATOM 1021 HG2 LYS 65 6.345 -37.523 40.332 1.00 44.22 ATOM 1022 CD LYS 65 5.738 -39.105 41.623 1.00 14.32 ATOM 1023 HD1 LYS 65 6.085 -39.857 40.927 1.00 37.53 ATOM 1024 HD2 LYS 65 4.827 -39.445 42.096 1.00 11.52 ATOM 1025 CE LYS 65 6.803 -38.888 42.693 1.00 1.32 ATOM 1026 HE1 LYS 65 7.734 -38.623 42.212 1.00 37.53 ATOM 1027 HE2 LYS 65 6.935 -39.807 43.247 1.00 25.01 ATOM 1028 NZ LYS 65 6.425 -37.806 43.642 1.00 71.44 ATOM 1029 HZ1 LYS 65 5.544 -38.055 44.138 1.00 22.22 ATOM 1030 HZ2 LYS 65 6.276 -36.914 43.130 1.00 44.44 ATOM 1031 HZ3 LYS 65 7.177 -37.663 44.347 1.00 22.30 ATOM 1032 C LYS 65 5.120 -36.039 38.464 1.00 62.43 ATOM 1033 O LYS 65 5.313 -36.240 37.268 1.00 21.33 ATOM 1034 N VAL 66 5.930 -35.284 39.207 1.00 64.13 ATOM 1035 HN VAL 66 5.715 -35.146 40.156 1.00 37.53 ATOM 1036 CA VAL 66 7.135 -34.655 38.652 1.00 61.32 ATOM 1037 HA VAL 66 7.499 -35.281 37.847 1.00 63.03 ATOM 1038 CB VAL 66 6.819 -33.248 38.072 1.00 63.45 ATOM 1039 HB VAL 66 6.020 -33.357 37.352 1.00 54.02 ATOM 1040 CG1 VAL 66 6.333 -32.307 39.173 1.00 22.02 ATOM 1041 HG11 VAL 66 5.452 -32.724 39.640 1.00 74.34 ATOM 1042 HG12 VAL 66 6.091 -31.344 38.747 1.00 30.40 ATOM 1043 HG13 VAL 66 7.111 -32.187 39.915 1.00 11.41 ATOM 1044 CG2 VAL 66 8.035 -32.664 37.344 1.00 3.25 ATOM 1045 HG21 VAL 66 8.334 -33.331 36.549 1.00 41.10 ATOM 1046 HG22 VAL 66 8.855 -32.545 38.040 1.00 53.25 ATOM 1047 HG23 VAL 66 7.778 -31.700 36.927 1.00 31.44 ATOM 1048 C VAL 66 8.241 -34.526 39.715 1.00 54.14 ATOM 1049 O VAL 66 7.962 -34.387 40.906 1.00 3.51 ATOM 1050 N TYR 67 9.493 -34.590 39.275 1.00 23.22 ATOM 1051 HN TYR 67 9.652 -34.775 38.326 1.00 37.53 ATOM 1052 CA TYR 67 10.645 -34.400 40.163 1.00 24.43 ATOM 1053 HA TYR 67 10.293 -34.433 41.185 1.00 12.31 ATOM 1054 CB TYR 67 11.672 -35.523 39.953 1.00 0.10 ATOM 1055 HB1 TYR 67 12.473 -35.403 40.671 1.00 37.53 ATOM 1056 HB2 TYR 67 12.082 -35.443 38.955 1.00 14.23 ATOM 1057 CG TYR 67 11.104 -36.925 40.113 1.00 73.34 ATOM 1058 CD1 TYR 67 10.580 -37.612 39.021 1.00 73.14 ATOM 1059 HD1 TYR 67 10.573 -37.132 38.054 1.00 72.25 ATOM 1060 CD2 TYR 67 11.101 -37.566 41.349 1.00 14.21 ATOM 1061 HD2 TYR 67 11.500 -37.049 42.210 1.00 73.54 ATOM 1062 CE1 TYR 67 10.073 -38.890 39.155 1.00 31.03 ATOM 1063 HE1 TYR 67 9.670 -39.404 38.293 1.00 32.45 ATOM 1064 CE2 TYR 67 10.593 -38.846 41.490 1.00 54.13 ATOM 1065 HE2 TYR 67 10.598 -39.325 42.459 1.00 3.23 ATOM 1066 CZ TYR 67 10.082 -39.502 40.390 1.00 11.51 ATOM 1067 OH TYR 67 9.578 -40.777 40.523 1.00 11.41 ATOM 1068 HH TYR 67 9.956 -41.344 39.840 1.00 11.21 ATOM 1069 C TYR 67 11.308 -33.033 39.905 1.00 21.22 ATOM 1070 O TYR 67 12.048 -32.872 38.931 1.00 1.11 ATOM 1071 N PRO 68 11.052 -32.026 40.772 1.00 25.32 ATOM 1072 CA PRO 68 11.604 -30.665 40.598 1.00 51.24 ATOM 1073 HA PRO 68 11.294 -30.241 39.653 1.00 23.43 ATOM 1074 CB PRO 68 10.968 -29.866 41.749 1.00 44.24 ATOM 1075 HB1 PRO 68 10.111 -29.320 41.381 1.00 37.53 ATOM 1076 HB2 PRO 68 11.691 -29.171 42.156 1.00 52.23 ATOM 1077 CG PRO 68 10.566 -30.892 42.758 1.00 53.22 ATOM 1078 HG1 PRO 68 9.712 -30.540 43.321 1.00 37.53 ATOM 1079 HG2 PRO 68 11.394 -31.097 43.423 1.00 24.40 ATOM 1080 CD PRO 68 10.202 -32.126 41.975 1.00 73.41 ATOM 1081 HD1 PRO 68 9.155 -32.111 41.709 1.00 37.53 ATOM 1082 HD2 PRO 68 10.436 -33.017 42.542 1.00 42.10 ATOM 1083 C PRO 68 13.141 -30.618 40.685 1.00 4.32 ATOM 1084 O PRO 68 13.765 -29.622 40.309 1.00 42.21 ATOM 1085 N GLU 69 13.743 -31.694 41.181 1.00 14.14 ATOM 1086 HN GLU 69 13.191 -32.443 41.487 1.00 37.53 ATOM 1087 CA GLU 69 15.203 -31.797 41.290 1.00 13.43 ATOM 1088 HA GLU 69 15.635 -31.053 40.633 1.00 64.43 ATOM 1089 CB GLU 69 15.642 -31.490 42.735 1.00 51.25 ATOM 1090 HB1 GLU 69 15.445 -30.447 42.943 1.00 37.53 ATOM 1091 HB2 GLU 69 16.705 -31.667 42.821 1.00 1.55 ATOM 1092 CG GLU 69 14.931 -32.331 43.797 1.00 74.14 ATOM 1093 HG1 GLU 69 15.278 -33.352 43.719 1.00 37.53 ATOM 1094 HG2 GLU 69 13.867 -32.303 43.607 1.00 21.15 ATOM 1095 CD GLU 69 15.188 -31.836 45.213 1.00 31.14 ATOM 1096 OE1 GLU 69 16.246 -32.172 45.789 1.00 2.41 ATOM 1097 OE2 GLU 69 14.329 -31.108 45.757 1.00 11.52 ATOM 1098 C GLU 69 15.697 -33.189 40.835 1.00 15.30 ATOM 1099 O GLU 69 15.868 -34.101 41.647 1.00 63.11 ATOM 1100 N PRO 70 15.913 -33.377 39.515 1.00 15.44 ATOM 1101 CA PRO 70 16.336 -34.673 38.957 1.00 5.31 ATOM 1102 HA PRO 70 15.683 -35.470 39.290 1.00 25.52 ATOM 1103 CB PRO 70 16.166 -34.479 37.445 1.00 13.15 ATOM 1104 HB1 PRO 70 15.184 -34.815 37.142 1.00 37.53 ATOM 1105 HB2 PRO 70 16.922 -35.046 36.915 1.00 4.11 ATOM 1106 CG PRO 70 16.326 -33.010 37.234 1.00 5.51 ATOM 1107 HG1 PRO 70 15.778 -32.701 36.354 1.00 37.53 ATOM 1108 HG2 PRO 70 17.374 -32.764 37.126 1.00 44.44 ATOM 1109 CD PRO 70 15.754 -32.348 38.464 1.00 23.11 ATOM 1110 HD1 PRO 70 14.711 -32.109 38.316 1.00 37.53 ATOM 1111 HD2 PRO 70 16.313 -31.457 38.710 1.00 32.23 ATOM 1112 C PRO 70 17.790 -35.041 39.311 1.00 72.13 ATOM 1113 O PRO 70 18.724 -34.771 38.552 1.00 74.13 ATOM 1114 N ARG 71 17.964 -35.656 40.475 1.00 11.12 ATOM 1115 HN ARG 71 17.176 -35.830 41.036 1.00 37.53 ATOM 1116 CA ARG 71 19.278 -36.098 40.952 1.00 10.53 ATOM 1117 HA ARG 71 19.990 -35.310 40.752 1.00 73.33 ATOM 1118 CB ARG 71 19.202 -36.335 42.472 1.00 40.13 ATOM 1119 HB1 ARG 71 18.284 -36.864 42.690 1.00 37.53 ATOM 1120 HB2 ARG 71 19.170 -35.375 42.967 1.00 2.13 ATOM 1121 CG ARG 71 20.360 -37.132 43.069 1.00 2.14 ATOM 1122 HG1 ARG 71 20.417 -38.090 42.567 1.00 37.53 ATOM 1123 HG2 ARG 71 20.162 -37.295 44.118 1.00 11.14 ATOM 1124 CD ARG 71 21.705 -36.426 42.935 1.00 45.22 ATOM 1125 HD1 ARG 71 21.629 -35.441 43.370 1.00 37.53 ATOM 1126 HD2 ARG 71 21.954 -36.339 41.886 1.00 63.10 ATOM 1127 NE ARG 71 22.759 -37.172 43.625 1.00 64.05 ATOM 1128 HE ARG 71 22.716 -37.208 44.603 1.00 63.20 ATOM 1129 CZ ARG 71 23.723 -37.820 43.028 1.00 23.42 ATOM 1130 NH1 ARG 71 23.863 -37.760 41.745 1.00 42.45 ATOM 1131 HH11 ARG 71 23.235 -37.211 41.198 1.00 12.42 ATOM 1132 HH12 ARG 71 24.602 -38.263 41.303 1.00 34.04 ATOM 1133 NH2 ARG 71 24.559 -38.518 43.723 1.00 35.54 ATOM 1134 HH21 ARG 71 24.467 -38.561 44.716 1.00 2.51 ATOM 1135 HH22 ARG 71 25.289 -39.020 43.265 1.00 73.05 ATOM 1136 C ARG 71 19.728 -37.372 40.222 1.00 71.23 ATOM 1137 O ARG 71 20.902 -37.526 39.878 1.00 15.00 ATOM 1138 N SER 72 18.782 -38.270 39.973 1.00 34.53 ATOM 1139 HN SER 72 17.855 -38.068 40.235 1.00 37.53 ATOM 1140 CA SER 72 19.076 -39.552 39.316 1.00 53.44 ATOM 1141 HA SER 72 20.148 -39.623 39.194 1.00 52.23 ATOM 1142 CB SER 72 18.605 -40.718 40.199 1.00 43.34 ATOM 1143 HB1 SER 72 18.755 -41.650 39.675 1.00 37.53 ATOM 1144 HB2 SER 72 17.555 -40.597 40.425 1.00 65.21 ATOM 1145 OG SER 72 19.331 -40.761 41.421 1.00 73.02 ATOM 1146 HG SER 72 18.759 -41.094 42.126 1.00 35.04 ATOM 1147 C SER 72 18.422 -39.647 37.930 1.00 54.21 ATOM 1148 O SER 72 17.405 -38.999 37.660 1.00 41.41 ATOM 1149 N GLU 73 19.009 -40.476 37.064 1.00 62.51 ATOM 1150 HN GLU 73 19.804 -40.975 37.355 1.00 37.53 ATOM 1151 CA GLU 73 18.516 -40.668 35.691 1.00 44.31 ATOM 1152 HA GLU 73 18.669 -39.739 35.158 1.00 51.52 ATOM 1153 CB GLU 73 19.319 -41.778 34.988 1.00 41.52 ATOM 1154 HB1 GLU 73 18.740 -42.153 34.155 1.00 37.53 ATOM 1155 HB2 GLU 73 19.477 -42.586 35.690 1.00 40.51 ATOM 1156 CG GLU 73 20.684 -41.336 34.456 1.00 42.53 ATOM 1157 HG1 GLU 73 20.531 -40.664 33.625 1.00 37.53 ATOM 1158 HG2 GLU 73 21.211 -42.210 34.104 1.00 51.45 ATOM 1159 CD GLU 73 21.550 -40.639 35.495 1.00 65.25 ATOM 1160 OE1 GLU 73 22.220 -41.333 36.288 1.00 3.42 ATOM 1161 OE2 GLU 73 21.582 -39.392 35.516 1.00 43.21 ATOM 1162 C GLU 73 17.018 -41.008 35.658 1.00 44.21 ATOM 1163 O GLU 73 16.245 -40.348 34.961 1.00 63.13 ATOM 1164 N SER 74 16.616 -42.029 36.420 1.00 44.43 ATOM 1165 HN SER 74 17.284 -42.516 36.954 1.00 37.53 ATOM 1166 CA SER 74 15.206 -42.464 36.471 1.00 51.13 ATOM 1167 HA SER 74 14.972 -42.926 35.521 1.00 24.54 ATOM 1168 CB SER 74 15.001 -43.501 37.586 1.00 40.42 ATOM 1169 HB1 SER 74 13.961 -43.794 37.614 1.00 37.53 ATOM 1170 HB2 SER 74 15.277 -43.067 38.535 1.00 41.52 ATOM 1171 OG SER 74 15.794 -44.659 37.372 1.00 11.23 ATOM 1172 HG SER 74 15.661 -45.277 38.102 1.00 62.32 ATOM 1173 C SER 74 14.250 -41.283 36.693 1.00 62.13 ATOM 1174 O SER 74 13.181 -41.213 36.086 1.00 2.44 ATOM 1175 N GLU 75 14.652 -40.344 37.550 1.00 51.33 ATOM 1176 HN GLU 75 15.529 -40.435 37.977 1.00 37.53 ATOM 1177 CA GLU 75 13.824 -39.174 37.865 1.00 4.32 ATOM 1178 HA GLU 75 12.847 -39.530 38.163 1.00 64.32 ATOM 1179 CB GLU 75 14.439 -38.381 39.026 1.00 14.35 ATOM 1180 HB1 GLU 75 13.778 -37.563 39.277 1.00 37.53 ATOM 1181 HB2 GLU 75 15.389 -37.977 38.705 1.00 62.45 ATOM 1182 CG GLU 75 14.676 -39.206 40.285 1.00 1.44 ATOM 1183 HG1 GLU 75 15.408 -39.970 40.065 1.00 37.53 ATOM 1184 HG2 GLU 75 13.746 -39.676 40.573 1.00 3.40 ATOM 1185 CD GLU 75 15.182 -38.366 41.451 1.00 50.32 ATOM 1186 OE1 GLU 75 14.547 -38.382 42.527 1.00 3.13 ATOM 1187 OE2 GLU 75 16.214 -37.683 41.291 1.00 43.24 ATOM 1188 C GLU 75 13.663 -38.258 36.643 1.00 42.22 ATOM 1189 O GLU 75 12.544 -37.963 36.218 1.00 53.03 ATOM 1190 N CYS 76 14.787 -37.820 36.080 1.00 24.42 ATOM 1191 HN CYS 76 15.649 -38.110 36.450 1.00 37.53 ATOM 1192 CA CYS 76 14.773 -36.913 34.923 1.00 21.43 ATOM 1193 HA CYS 76 14.249 -36.013 35.218 1.00 10.23 ATOM 1194 CB CYS 76 16.199 -36.542 34.515 1.00 61.00 ATOM 1195 HB1 CYS 76 16.691 -37.414 34.110 1.00 37.53 ATOM 1196 HB2 CYS 76 16.740 -36.204 35.388 1.00 44.41 ATOM 1197 SG CYS 76 16.299 -35.234 33.273 1.00 60.21 ATOM 1198 HG CYS 76 15.253 -35.340 32.462 1.00 24.24 ATOM 1199 C CYS 76 14.043 -37.539 33.729 1.00 2.20 ATOM 1200 O CYS 76 13.240 -36.881 33.063 1.00 20.52 ATOM 1201 N LEU 77 14.330 -38.816 33.462 1.00 74.35 ATOM 1202 HN LEU 77 15.030 -39.267 33.983 1.00 37.53 ATOM 1203 CA LEU 77 13.636 -39.561 32.407 1.00 52.43 ATOM 1204 HA LEU 77 13.817 -39.052 31.470 1.00 71.41 ATOM 1205 CB LEU 77 14.186 -40.994 32.310 1.00 32.11 ATOM 1206 HB1 LEU 77 13.604 -41.532 31.573 1.00 37.53 ATOM 1207 HB2 LEU 77 14.047 -41.474 33.269 1.00 21.02 ATOM 1208 CG LEU 77 15.672 -41.110 31.923 1.00 63.20 ATOM 1209 HG LEU 77 16.266 -40.566 32.646 1.00 3.12 ATOM 1210 CD1 LEU 77 16.127 -42.568 31.949 1.00 33.32 ATOM 1211 HD11 LEU 77 15.550 -43.141 31.236 1.00 32.02 ATOM 1212 HD12 LEU 77 15.980 -42.975 32.939 1.00 43.03 ATOM 1213 HD13 LEU 77 17.174 -42.623 31.692 1.00 24.41 ATOM 1214 CD2 LEU 77 15.923 -40.492 30.548 1.00 31.31 ATOM 1215 HD21 LEU 77 15.659 -39.446 30.570 1.00 12.11 ATOM 1216 HD22 LEU 77 15.321 -40.998 29.805 1.00 30.00 ATOM 1217 HD23 LEU 77 16.968 -40.593 30.292 1.00 64.34 ATOM 1218 C LEU 77 12.122 -39.597 32.662 1.00 30.33 ATOM 1219 O LEU 77 11.324 -39.375 31.751 1.00 41.22 ATOM 1220 N SER 78 11.733 -39.857 33.913 1.00 15.50 ATOM 1221 HN SER 78 12.417 -40.017 34.600 1.00 37.53 ATOM 1222 CA SER 78 10.311 -39.920 34.286 1.00 1.21 ATOM 1223 HA SER 78 9.846 -40.675 33.664 1.00 44.31 ATOM 1224 CB SER 78 10.144 -40.328 35.756 1.00 62.34 ATOM 1225 HB1 SER 78 10.549 -39.553 36.391 1.00 37.53 ATOM 1226 HB2 SER 78 10.677 -41.251 35.936 1.00 35.32 ATOM 1227 OG SER 78 8.774 -40.522 36.087 1.00 45.22 ATOM 1228 HG SER 78 8.273 -39.725 35.872 1.00 44.33 ATOM 1229 C SER 78 9.600 -38.580 34.040 1.00 31.55 ATOM 1230 O SER 78 8.465 -38.559 33.566 1.00 3.12 ATOM 1231 N ASN 79 10.266 -37.465 34.365 1.00 33.11 ATOM 1232 HN ASN 79 11.142 -37.542 34.803 1.00 37.53 ATOM 1233 CA ASN 79 9.713 -36.126 34.089 1.00 42.34 ATOM 1234 HA ASN 79 8.822 -36.006 34.692 1.00 35.01 ATOM 1235 CB ASN 79 10.722 -35.026 34.459 1.00 33.03 ATOM 1236 HB1 ASN 79 10.300 -34.061 34.209 1.00 37.53 ATOM 1237 HB2 ASN 79 11.629 -35.172 33.891 1.00 22.55 ATOM 1238 CG ASN 79 11.081 -35.019 35.932 1.00 55.12 ATOM 1239 OD1 ASN 79 10.309 -35.455 36.773 1.00 43.24 ATOM 1240 ND2 ASN 79 12.251 -34.503 36.258 1.00 33.54 ATOM 1241 HD21 ASN 79 12.822 -34.156 35.541 1.00 72.44 ATOM 1242 HD22 ASN 79 12.492 -34.478 37.207 1.00 54.45 ATOM 1243 C ASN 79 9.331 -35.987 32.607 1.00 50.01 ATOM 1244 O ASN 79 8.232 -35.542 32.265 1.00 21.11 ATOM 1245 N ILE 80 10.254 -36.383 31.734 1.00 30.31 ATOM 1246 HN ILE 80 11.120 -36.702 32.073 1.00 37.53 ATOM 1247 CA ILE 80 10.024 -36.353 30.290 1.00 1.23 ATOM 1248 HA ILE 80 9.705 -35.353 30.024 1.00 61.20 ATOM 1249 CB ILE 80 11.327 -36.671 29.514 1.00 42.41 ATOM 1250 HB ILE 80 11.617 -37.687 29.744 1.00 1.14 ATOM 1251 CG1 ILE 80 12.455 -35.716 29.946 1.00 24.45 ATOM 1252 HG11 ILE 80 12.594 -35.793 31.016 1.00 37.53 ATOM 1253 HG12 ILE 80 12.176 -34.701 29.700 1.00 74.41 ATOM 1254 CG2 ILE 80 11.087 -36.579 28.008 1.00 12.32 ATOM 1255 HG21 ILE 80 11.992 -36.845 27.478 1.00 12.21 ATOM 1256 HG22 ILE 80 10.802 -35.570 27.747 1.00 4.14 ATOM 1257 HG23 ILE 80 10.295 -37.259 27.727 1.00 34.12 ATOM 1258 CD1 ILE 80 13.789 -35.999 29.285 1.00 33.35 ATOM 1259 HD11 ILE 80 14.529 -35.306 29.657 1.00 31.01 ATOM 1260 HD12 ILE 80 13.693 -35.882 28.216 1.00 75.21 ATOM 1261 HD13 ILE 80 14.097 -37.010 29.512 1.00 4.05 ATOM 1262 C ILE 80 8.928 -37.353 29.882 1.00 23.13 ATOM 1263 O ILE 80 8.059 -37.040 29.069 1.00 30.40 ATOM 1264 N ARG 81 8.966 -38.552 30.467 1.00 31.13 ATOM 1265 HN ARG 81 9.660 -38.729 31.137 1.00 37.53 ATOM 1266 CA ARG 81 7.995 -39.610 30.145 1.00 21.24 ATOM 1267 HA ARG 81 8.027 -39.755 29.074 1.00 60.03 ATOM 1268 CB ARG 81 8.385 -40.934 30.823 1.00 32.01 ATOM 1269 HB1 ARG 81 7.597 -41.657 30.665 1.00 37.53 ATOM 1270 HB2 ARG 81 8.497 -40.764 31.885 1.00 21.45 ATOM 1271 CG ARG 81 9.691 -41.526 30.290 1.00 55.05 ATOM 1272 HG1 ARG 81 9.938 -42.404 30.872 1.00 37.53 ATOM 1273 HG2 ARG 81 10.477 -40.792 30.398 1.00 24.25 ATOM 1274 CD ARG 81 9.585 -41.924 28.813 1.00 15.52 ATOM 1275 HD1 ARG 81 10.584 -42.050 28.416 1.00 37.53 ATOM 1276 HD2 ARG 81 9.087 -41.131 28.271 1.00 33.15 ATOM 1277 NE ARG 81 8.842 -43.172 28.625 1.00 45.03 ATOM 1278 HE ARG 81 9.096 -43.933 29.188 1.00 35.34 ATOM 1279 CZ ARG 81 7.901 -43.356 27.735 1.00 73.14 ATOM 1280 NH1 ARG 81 7.504 -42.382 26.975 1.00 22.05 ATOM 1281 HH11 ARG 81 7.915 -41.485 27.063 1.00 3.45 ATOM 1282 HH12 ARG 81 6.786 -42.541 26.295 1.00 74.12 ATOM 1283 NH2 ARG 81 7.358 -44.523 27.611 1.00 40.52 ATOM 1284 HH21 ARG 81 7.667 -45.278 28.189 1.00 43.24 ATOM 1285 HH22 ARG 81 6.632 -44.671 26.940 1.00 44.30 ATOM 1286 C ARG 81 6.561 -39.214 30.524 1.00 63.21 ATOM 1287 O ARG 81 5.613 -39.602 29.849 1.00 60.50 ATOM 1288 N GLU 82 6.401 -38.445 31.601 1.00 25.43 ATOM 1289 HN GLU 82 7.175 -38.256 32.176 1.00 37.53 ATOM 1290 CA GLU 82 5.087 -37.889 31.958 1.00 54.52 ATOM 1291 HA GLU 82 4.398 -38.717 32.059 1.00 14.12 ATOM 1292 CB GLU 82 5.156 -37.134 33.293 1.00 30.45 ATOM 1293 HB1 GLU 82 4.308 -36.465 33.359 1.00 37.53 ATOM 1294 HB2 GLU 82 6.064 -36.548 33.316 1.00 55.03 ATOM 1295 CG GLU 82 5.143 -38.038 34.522 1.00 15.12 ATOM 1296 HG1 GLU 82 5.341 -37.434 35.395 1.00 37.53 ATOM 1297 HG2 GLU 82 5.923 -38.778 34.419 1.00 4.04 ATOM 1298 CD GLU 82 3.810 -38.752 34.715 1.00 42.05 ATOM 1299 OE1 GLU 82 2.915 -38.190 35.388 1.00 62.32 ATOM 1300 OE2 GLU 82 3.642 -39.876 34.198 1.00 11.42 ATOM 1301 C GLU 82 4.568 -36.957 30.854 1.00 71.22 ATOM 1302 O GLU 82 3.407 -37.044 30.444 1.00 20.04 ATOM 1303 N PHE 83 5.439 -36.069 30.377 1.00 35.31 ATOM 1304 HN PHE 83 6.326 -36.006 30.794 1.00 37.53 ATOM 1305 CA PHE 83 5.114 -35.183 29.251 1.00 34.23 ATOM 1306 HA PHE 83 4.282 -34.559 29.548 1.00 34.01 ATOM 1307 CB PHE 83 6.324 -34.289 28.934 1.00 2.34 ATOM 1308 HB1 PHE 83 7.198 -34.915 28.807 1.00 37.53 ATOM 1309 HB2 PHE 83 6.493 -33.620 29.766 1.00 10.23 ATOM 1310 CG PHE 83 6.168 -33.444 27.690 1.00 72.45 ATOM 1311 CD1 PHE 83 6.827 -33.784 26.515 1.00 3.32 ATOM 1312 HD1 PHE 83 7.451 -34.666 26.494 1.00 51.22 ATOM 1313 CD2 PHE 83 5.371 -32.307 27.700 1.00 65.34 ATOM 1314 HD2 PHE 83 4.854 -32.029 28.607 1.00 23.44 ATOM 1315 CE1 PHE 83 6.693 -33.010 25.379 1.00 70.52 ATOM 1316 HE1 PHE 83 7.212 -33.287 24.472 1.00 51.24 ATOM 1317 CE2 PHE 83 5.235 -31.531 26.564 1.00 75.53 ATOM 1318 HE2 PHE 83 4.611 -30.650 26.584 1.00 51.41 ATOM 1319 CZ PHE 83 5.896 -31.883 25.403 1.00 22.24 ATOM 1320 HZ PHE 83 5.790 -31.277 24.514 1.00 20.22 ATOM 1321 C PHE 83 4.710 -35.997 28.009 1.00 31.32 ATOM 1322 O PHE 83 3.664 -35.756 27.400 1.00 32.11 ATOM 1323 N LEU 84 5.549 -36.969 27.655 1.00 52.41 ATOM 1324 HN LEU 84 6.370 -37.090 28.175 1.00 37.53 ATOM 1325 CA LEU 84 5.290 -37.857 26.513 1.00 54.31 ATOM 1326 HA LEU 84 5.218 -37.246 25.624 1.00 32.03 ATOM 1327 CB LEU 84 6.458 -38.843 26.349 1.00 61.41 ATOM 1328 HB1 LEU 84 6.269 -39.448 25.472 1.00 37.53 ATOM 1329 HB2 LEU 84 6.477 -39.494 27.214 1.00 11.44 ATOM 1330 CG LEU 84 7.847 -38.197 26.198 1.00 73.04 ATOM 1331 HG LEU 84 8.030 -37.556 27.048 1.00 74.14 ATOM 1332 CD1 LEU 84 8.939 -39.264 26.179 1.00 65.34 ATOM 1333 HD11 LEU 84 8.898 -39.837 27.095 1.00 10.21 ATOM 1334 HD12 LEU 84 9.906 -38.789 26.098 1.00 60.31 ATOM 1335 HD13 LEU 84 8.789 -39.922 25.335 1.00 34.23 ATOM 1336 CD2 LEU 84 7.909 -37.336 24.938 1.00 43.34 ATOM 1337 HD21 LEU 84 7.754 -37.958 24.069 1.00 32.24 ATOM 1338 HD22 LEU 84 8.879 -36.861 24.873 1.00 43.55 ATOM 1339 HD23 LEU 84 7.141 -36.577 24.979 1.00 70.01 ATOM 1340 C LEU 84 3.974 -38.630 26.695 1.00 62.34 ATOM 1341 O LEU 84 3.177 -38.754 25.764 1.00 22.50 ATOM 1342 N ARG 85 3.751 -39.132 27.911 1.00 0.24 ATOM 1343 HN ARG 85 4.419 -38.988 28.610 1.00 37.53 ATOM 1344 CA ARG 85 2.539 -39.889 28.236 1.00 11.20 ATOM 1345 HA ARG 85 2.481 -40.726 27.551 1.00 62.54 ATOM 1346 CB ARG 85 2.617 -40.429 29.676 1.00 51.44 ATOM 1347 HB1 ARG 85 2.600 -39.593 30.361 1.00 37.53 ATOM 1348 HB2 ARG 85 3.550 -40.963 29.802 1.00 41.24 ATOM 1349 CG ARG 85 1.471 -41.369 30.039 1.00 32.13 ATOM 1350 HG1 ARG 85 1.397 -42.134 29.277 1.00 37.53 ATOM 1351 HG2 ARG 85 0.552 -40.802 30.065 1.00 14.31 ATOM 1352 CD ARG 85 1.667 -42.042 31.396 1.00 13.50 ATOM 1353 HD1 ARG 85 2.601 -42.587 31.379 1.00 37.53 ATOM 1354 HD2 ARG 85 0.856 -42.738 31.555 1.00 32.31 ATOM 1355 NE ARG 85 1.699 -41.088 32.506 1.00 4.42 ATOM 1356 HE ARG 85 2.545 -40.627 32.687 1.00 71.31 ATOM 1357 CZ ARG 85 0.692 -40.862 33.310 1.00 22.54 ATOM 1358 NH1 ARG 85 -0.468 -41.397 33.091 1.00 63.34 ATOM 1359 HH11 ARG 85 -0.604 -41.986 32.300 1.00 30.31 ATOM 1360 HH12 ARG 85 -1.222 -41.223 33.721 1.00 33.33 ATOM 1361 NH2 ARG 85 0.848 -40.080 34.328 1.00 12.11 ATOM 1362 HH21 ARG 85 1.741 -39.654 34.495 1.00 52.44 ATOM 1363 HH22 ARG 85 0.087 -39.906 34.945 1.00 23.02 ATOM 1364 C ARG 85 1.286 -39.020 28.062 1.00 62.05 ATOM 1365 O ARG 85 0.280 -39.464 27.512 1.00 45.32 ATOM 1366 N GLY 86 1.361 -37.773 28.523 1.00 65.34 ATOM 1367 HN GLY 86 2.188 -37.477 28.965 1.00 37.53 ATOM 1368 CA GLY 86 0.242 -36.850 28.384 1.00 33.14 ATOM 1369 HA1 GLY 86 0.477 -35.939 28.914 1.00 37.53 ATOM 1370 HA2 GLY 86 -0.635 -37.295 28.833 1.00 42.22 ATOM 1371 C GLY 86 -0.071 -36.502 26.932 1.00 42.51 ATOM 1372 O GLY 86 -1.213 -36.638 26.481 1.00 11.31 ATOM 1373 N CYS 87 0.947 -36.062 26.194 1.00 53.01 ATOM 1374 HN CYS 87 1.828 -35.950 26.617 1.00 37.53 ATOM 1375 CA CYS 87 0.792 -35.733 24.770 1.00 71.30 ATOM 1376 HA CYS 87 0.028 -34.971 24.694 1.00 3.31 ATOM 1377 CB CYS 87 2.104 -35.173 24.205 1.00 51.12 ATOM 1378 HB1 CYS 87 1.979 -34.979 23.150 1.00 37.53 ATOM 1379 HB2 CYS 87 2.888 -35.904 24.338 1.00 25.12 ATOM 1380 SG CYS 87 2.647 -33.635 24.989 1.00 43.12 ATOM 1381 HG CYS 87 3.876 -33.368 24.564 1.00 12.20 ATOM 1382 C CYS 87 0.350 -36.957 23.951 1.00 73.13 ATOM 1383 O CYS 87 -0.365 -36.825 22.955 1.00 43.42 ATOM 1384 N GLY 88 0.775 -38.145 24.381 1.00 61.31 ATOM 1385 HN GLY 88 1.380 -38.181 25.153 1.00 37.53 ATOM 1386 CA GLY 88 0.378 -39.386 23.718 1.00 31.14 ATOM 1387 HA1 GLY 88 1.110 -40.145 23.949 1.00 37.53 ATOM 1388 HA2 GLY 88 0.373 -39.226 22.649 1.00 14.14 ATOM 1389 C GLY 88 -1.002 -39.897 24.144 1.00 23.11 ATOM 1390 O GLY 88 -1.663 -40.614 23.392 1.00 32.11 ATOM 1391 N ALA 89 -1.441 -39.535 25.351 1.00 60.21 ATOM 1392 HN ALA 89 -0.869 -38.969 25.915 1.00 37.53 ATOM 1393 CA ALA 89 -2.746 -39.974 25.867 1.00 34.34 ATOM 1394 HA ALA 89 -2.913 -40.985 25.521 1.00 14.20 ATOM 1395 CB ALA 89 -2.731 -39.999 27.394 1.00 71.22 ATOM 1396 HB1 ALA 89 -1.908 -40.610 27.736 1.00 42.51 ATOM 1397 HB2 ALA 89 -3.660 -40.411 27.759 1.00 11.03 ATOM 1398 HB3 ALA 89 -2.610 -38.993 27.772 1.00 42.30 ATOM 1399 C ALA 89 -3.897 -39.086 25.366 1.00 55.14 ATOM 1400 O ALA 89 -4.868 -39.572 24.783 1.00 60.12 ATOM 1401 N SER 90 -3.784 -37.780 25.603 1.00 70.33 ATOM 1402 HN SER 90 -2.978 -37.447 26.053 1.00 37.53 ATOM 1403 CA SER 90 -4.839 -36.830 25.213 1.00 20.13 ATOM 1404 HA SER 90 -5.792 -37.291 25.434 1.00 55.21 ATOM 1405 CB SER 90 -4.725 -35.531 26.025 1.00 41.32 ATOM 1406 HB1 SER 90 -3.761 -35.078 25.845 1.00 37.53 ATOM 1407 HB2 SER 90 -4.823 -35.756 27.077 1.00 1.34 ATOM 1408 OG SER 90 -5.741 -34.606 25.663 1.00 12.41 ATOM 1409 HG SER 90 -5.967 -34.065 26.434 1.00 64.52 ATOM 1410 C SER 90 -4.791 -36.509 23.712 1.00 45.10 ATOM 1411 O SER 90 -5.741 -36.785 22.977 1.00 43.14 ATOM 1412 N LEU 91 -3.678 -35.936 23.260 1.00 44.10 ATOM 1413 HN LEU 91 -2.944 -35.768 23.886 1.00 37.53 ATOM 1414 CA LEU 91 -3.517 -35.536 21.853 1.00 0.10 ATOM 1415 HA LEU 91 -4.466 -35.147 21.509 1.00 51.32 ATOM 1416 CB LEU 91 -2.468 -34.418 21.765 1.00 60.00 ATOM 1417 HB1 LEU 91 -2.172 -34.305 20.731 1.00 37.53 ATOM 1418 HB2 LEU 91 -1.602 -34.724 22.337 1.00 52.22 ATOM 1419 CG LEU 91 -2.936 -33.046 22.285 1.00 65.22 ATOM 1420 HG LEU 91 -3.478 -33.184 23.210 1.00 30.13 ATOM 1421 CD1 LEU 91 -1.746 -32.129 22.568 1.00 2.21 ATOM 1422 HD11 LEU 91 -1.176 -31.986 21.662 1.00 3.43 ATOM 1423 HD12 LEU 91 -1.114 -32.575 23.325 1.00 51.34 ATOM 1424 HD13 LEU 91 -2.105 -31.172 22.921 1.00 64.04 ATOM 1425 CD2 LEU 91 -3.879 -32.393 21.277 1.00 53.23 ATOM 1426 HD21 LEU 91 -4.202 -31.433 21.653 1.00 73.25 ATOM 1427 HD22 LEU 91 -4.741 -33.026 21.122 1.00 64.32 ATOM 1428 HD23 LEU 91 -3.361 -32.253 20.335 1.00 15.22 ATOM 1429 C LEU 91 -3.115 -36.716 20.949 1.00 11.53 ATOM 1430 O LEU 91 -3.476 -36.754 19.770 1.00 44.34 ATOM 1431 N ARG 92 -2.369 -37.667 21.511 1.00 73.44 ATOM 1432 HN ARG 92 -2.144 -37.587 22.459 1.00 37.53 ATOM 1433 CA ARG 92 -1.866 -38.832 20.760 1.00 31.41 ATOM 1434 HA ARG 92 -1.289 -39.433 21.449 1.00 4.13 ATOM 1435 CB ARG 92 -3.038 -39.678 20.226 1.00 31.12 ATOM 1436 HB1 ARG 92 -3.528 -39.130 19.433 1.00 37.53 ATOM 1437 HB2 ARG 92 -3.745 -39.835 21.029 1.00 3.44 ATOM 1438 CG ARG 92 -2.619 -41.044 19.681 1.00 55.42 ATOM 1439 HG1 ARG 92 -2.231 -41.642 20.495 1.00 37.53 ATOM 1440 HG2 ARG 92 -1.844 -40.905 18.940 1.00 52.51 ATOM 1441 CD ARG 92 -3.783 -41.783 19.035 1.00 21.33 ATOM 1442 HD1 ARG 92 -4.186 -41.170 18.240 1.00 37.53 ATOM 1443 HD2 ARG 92 -4.547 -41.947 19.782 1.00 24.02 ATOM 1444 NE ARG 92 -3.378 -43.075 18.482 1.00 10.10 ATOM 1445 HE ARG 92 -2.650 -43.553 18.931 1.00 43.20 ATOM 1446 CZ ARG 92 -3.924 -43.626 17.433 1.00 22.21 ATOM 1447 NH1 ARG 92 -4.897 -43.043 16.813 1.00 33.21 ATOM 1448 HH11 ARG 92 -5.238 -42.164 17.135 1.00 31.34 ATOM 1449 HH12 ARG 92 -5.303 -43.474 16.009 1.00 42.23 ATOM 1450 NH2 ARG 92 -3.496 -44.769 17.007 1.00 43.43 ATOM 1451 HH21 ARG 92 -2.746 -45.226 17.481 1.00 43.42 ATOM 1452 HH22 ARG 92 -3.918 -45.191 16.209 1.00 41.22 ATOM 1453 C ARG 92 -0.938 -38.394 19.606 1.00 62.34 ATOM 1454 O ARG 92 -0.826 -39.069 18.580 1.00 75.13 ATOM 1455 N LEU 93 -0.249 -37.270 19.791 1.00 41.12 ATOM 1456 HN LEU 93 -0.339 -36.794 20.642 1.00 37.53 ATOM 1457 CA LEU 93 0.644 -36.730 18.758 1.00 21.03 ATOM 1458 HA LEU 93 0.156 -36.877 17.804 1.00 51.32 ATOM 1459 CB LEU 93 0.841 -35.214 18.973 1.00 22.25 ATOM 1460 HB1 LEU 93 -0.114 -34.732 18.808 1.00 37.53 ATOM 1461 HB2 LEU 93 1.531 -34.855 18.222 1.00 32.45 ATOM 1462 CG LEU 93 1.366 -34.775 20.360 1.00 62.13 ATOM 1463 HG LEU 93 0.902 -35.389 21.120 1.00 63.02 ATOM 1464 CD1 LEU 93 2.876 -34.958 20.478 1.00 24.25 ATOM 1465 HD11 LEU 93 3.125 -36.002 20.357 1.00 24.51 ATOM 1466 HD12 LEU 93 3.204 -34.621 21.450 1.00 15.52 ATOM 1467 HD13 LEU 93 3.371 -34.378 19.712 1.00 50.52 ATOM 1468 CD2 LEU 93 0.987 -33.326 20.644 1.00 63.44 ATOM 1469 HD21 LEU 93 1.343 -33.047 21.625 1.00 42.44 ATOM 1470 HD22 LEU 93 -0.087 -33.220 20.609 1.00 34.23 ATOM 1471 HD23 LEU 93 1.437 -32.682 19.902 1.00 2.10 ATOM 1472 C LEU 93 1.993 -37.473 18.717 1.00 21.12 ATOM 1473 O LEU 93 2.299 -38.287 19.591 1.00 41.45 ATOM 1474 N GLU 94 2.788 -37.193 17.690 1.00 62.30 ATOM 1475 HN GLU 94 2.485 -36.546 17.018 1.00 37.53 ATOM 1476 CA GLU 94 4.103 -37.823 17.525 1.00 51.14 ATOM 1477 HA GLU 94 3.975 -38.892 17.633 1.00 50.41 ATOM 1478 CB GLU 94 4.628 -37.528 16.114 1.00 70.20 ATOM 1479 HB1 GLU 94 5.609 -37.970 16.003 1.00 37.53 ATOM 1480 HB2 GLU 94 4.707 -36.457 15.987 1.00 1.32 ATOM 1481 CG GLU 94 3.727 -38.076 15.011 1.00 64.11 ATOM 1482 HG1 GLU 94 2.701 -37.822 15.242 1.00 37.53 ATOM 1483 HG2 GLU 94 3.826 -39.153 14.981 1.00 32.00 ATOM 1484 CD GLU 94 4.068 -37.519 13.640 1.00 25.03 ATOM 1485 OE1 GLU 94 4.986 -38.050 12.985 1.00 51.40 ATOM 1486 OE2 GLU 94 3.412 -36.545 13.211 1.00 72.44 ATOM 1487 C GLU 94 5.098 -37.329 18.591 1.00 41.42 ATOM 1488 O GLU 94 5.414 -36.139 18.656 1.00 2.13 ATOM 1489 N THR 95 5.582 -38.248 19.428 1.00 62.54 ATOM 1490 HN THR 95 5.343 -39.187 19.291 1.00 37.53 ATOM 1491 CA THR 95 6.469 -37.893 20.548 1.00 42.02 ATOM 1492 HA THR 95 6.494 -36.814 20.629 1.00 55.13 ATOM 1493 CB THR 95 5.942 -38.461 21.890 1.00 31.31 ATOM 1494 HB THR 95 6.582 -38.106 22.687 1.00 74.10 ATOM 1495 OG1 THR 95 5.980 -39.899 21.875 1.00 31.21 ATOM 1496 HG1 THR 95 6.866 -40.197 22.122 1.00 14.34 ATOM 1497 CG2 THR 95 4.517 -37.991 22.170 1.00 5.31 ATOM 1498 HG21 THR 95 4.485 -36.911 22.169 1.00 20.00 ATOM 1499 HG22 THR 95 4.199 -38.357 23.136 1.00 53.21 ATOM 1500 HG23 THR 95 3.855 -38.372 21.406 1.00 15.23 ATOM 1501 C THR 95 7.903 -38.406 20.347 1.00 61.24 ATOM 1502 O THR 95 8.181 -39.188 19.438 1.00 2.03 ATOM 1503 N PHE 96 8.805 -37.951 21.214 1.00 3.54 ATOM 1504 HN PHE 96 8.529 -37.276 21.866 1.00 37.53 ATOM 1505 CA PHE 96 10.200 -38.414 21.235 1.00 63.24 ATOM 1506 HA PHE 96 10.382 -38.978 20.329 1.00 0.03 ATOM 1507 CB PHE 96 11.153 -37.210 21.276 1.00 74.22 ATOM 1508 HB1 PHE 96 11.029 -36.632 20.370 1.00 37.53 ATOM 1509 HB2 PHE 96 12.172 -37.569 21.324 1.00 51.31 ATOM 1510 CG PHE 96 10.926 -36.284 22.451 1.00 21.11 ATOM 1511 CD1 PHE 96 9.947 -35.298 22.399 1.00 34.14 ATOM 1512 HD1 PHE 96 9.344 -35.196 21.507 1.00 12.42 ATOM 1513 CD2 PHE 96 11.688 -36.399 23.605 1.00 24.22 ATOM 1514 HD2 PHE 96 12.452 -37.161 23.661 1.00 4.05 ATOM 1515 CE1 PHE 96 9.738 -34.449 23.469 1.00 2.12 ATOM 1516 HE1 PHE 96 8.976 -33.686 23.414 1.00 73.34 ATOM 1517 CE2 PHE 96 11.481 -35.552 24.677 1.00 33.24 ATOM 1518 HE2 PHE 96 12.083 -35.654 25.569 1.00 43.44 ATOM 1519 CZ PHE 96 10.505 -34.577 24.610 1.00 52.20 ATOM 1520 HZ PHE 96 10.343 -33.914 25.448 1.00 63.11 ATOM 1521 C PHE 96 10.446 -39.331 22.446 1.00 5.43 ATOM 1522 O PHE 96 9.524 -39.606 23.216 1.00 53.13 ATOM 1523 N ASP 97 11.677 -39.815 22.609 1.00 21.41 ATOM 1524 HN ASP 97 12.378 -39.581 21.962 1.00 37.53 ATOM 1525 CA ASP 97 12.021 -40.661 23.759 1.00 32.04 ATOM 1526 HA ASP 97 11.098 -40.989 24.221 1.00 12.35 ATOM 1527 CB ASP 97 12.813 -41.893 23.309 1.00 24.32 ATOM 1528 HB1 ASP 97 13.025 -42.512 24.171 1.00 37.53 ATOM 1529 HB2 ASP 97 13.748 -41.571 22.869 1.00 61.40 ATOM 1530 CG ASP 97 12.062 -42.729 22.289 1.00 1.21 ATOM 1531 OD1 ASP 97 11.049 -43.355 22.657 1.00 34.21 ATOM 1532 OD2 ASP 97 12.493 -42.776 21.115 1.00 4.13 ATOM 1533 C ASP 97 12.836 -39.874 24.795 1.00 2.23 ATOM 1534 O ASP 97 13.675 -39.049 24.446 1.00 10.24 ATOM 1535 N ALA 98 12.602 -40.152 26.073 1.00 4.34 ATOM 1536 HN ALA 98 11.943 -40.842 26.295 1.00 37.53 ATOM 1537 CA ALA 98 13.298 -39.449 27.159 1.00 24.30 ATOM 1538 HA ALA 98 12.990 -38.412 27.127 1.00 31.45 ATOM 1539 CB ALA 98 12.872 -40.022 28.507 1.00 21.14 ATOM 1540 HB1 ALA 98 13.337 -39.458 29.303 1.00 2.35 ATOM 1541 HB2 ALA 98 13.177 -41.056 28.573 1.00 33.01 ATOM 1542 HB3 ALA 98 11.797 -39.959 28.603 1.00 72.41 ATOM 1543 C ALA 98 14.830 -39.515 27.011 1.00 50.25 ATOM 1544 O ALA 98 15.544 -38.613 27.448 1.00 31.44 ATOM 1545 N ASN 99 15.326 -40.579 26.380 1.00 30.31 ATOM 1546 HN ASN 99 14.708 -41.234 25.995 1.00 37.53 ATOM 1547 CA ASN 99 16.771 -40.793 26.248 1.00 5.01 ATOM 1548 HA ASN 99 17.207 -40.631 27.223 1.00 12.21 ATOM 1549 CB ASN 99 17.061 -42.237 25.823 1.00 1.01 ATOM 1550 HB1 ASN 99 18.128 -42.366 25.703 1.00 37.53 ATOM 1551 HB2 ASN 99 16.571 -42.435 24.881 1.00 15.45 ATOM 1552 CG ASN 99 16.571 -43.245 26.847 1.00 74.31 ATOM 1553 OD1 ASN 99 16.496 -42.955 28.035 1.00 55.52 ATOM 1554 ND2 ASN 99 16.244 -44.439 26.404 1.00 34.42 ATOM 1555 HD21 ASN 99 16.332 -44.624 25.447 1.00 62.23 ATOM 1556 HD22 ASN 99 15.933 -45.099 27.057 1.00 2.35 ATOM 1557 C ASN 99 17.430 -39.811 25.260 1.00 33.41 ATOM 1558 O ASN 99 18.487 -39.249 25.559 1.00 14.22 ATOM 1559 N ASP 100 16.819 -39.593 24.091 1.00 3.13 ATOM 1560 HN ASP 100 15.940 -39.995 23.920 1.00 37.53 ATOM 1561 CA ASP 100 17.434 -38.734 23.070 1.00 73.11 ATOM 1562 HA ASP 100 18.447 -39.094 22.937 1.00 25.52 ATOM 1563 CB ASP 100 16.709 -38.851 21.712 1.00 45.20 ATOM 1564 HB1 ASP 100 16.945 -39.813 21.276 1.00 37.53 ATOM 1565 HB2 ASP 100 17.073 -38.076 21.053 1.00 72.22 ATOM 1566 CG ASP 100 15.196 -38.722 21.798 1.00 1.21 ATOM 1567 OD1 ASP 100 14.709 -37.639 22.159 1.00 12.03 ATOM 1568 OD2 ASP 100 14.491 -39.710 21.473 1.00 73.33 ATOM 1569 C ASP 100 17.527 -37.269 23.535 1.00 24.32 ATOM 1570 O ASP 100 18.507 -36.582 23.245 1.00 65.32 ATOM 1571 N LEU 101 16.526 -36.803 24.275 1.00 10.32 ATOM 1572 HN LEU 101 15.737 -37.368 24.418 1.00 37.53 ATOM 1573 CA LEU 101 16.560 -35.449 24.846 1.00 55.31 ATOM 1574 HA LEU 101 16.896 -34.777 24.069 1.00 54.42 ATOM 1575 CB LEU 101 15.158 -35.017 25.294 1.00 3.13 ATOM 1576 HB1 LEU 101 14.790 -35.744 26.005 1.00 37.53 ATOM 1577 HB2 LEU 101 14.509 -35.028 24.428 1.00 65.32 ATOM 1578 CG LEU 101 15.078 -33.621 25.946 1.00 52.42 ATOM 1579 HG LEU 101 15.723 -33.604 26.815 1.00 65.12 ATOM 1580 CD1 LEU 101 15.566 -32.537 24.986 1.00 63.50 ATOM 1581 HD11 LEU 101 16.585 -32.744 24.693 1.00 70.51 ATOM 1582 HD12 LEU 101 15.524 -31.575 25.477 1.00 21.55 ATOM 1583 HD13 LEU 101 14.936 -32.520 24.108 1.00 30.12 ATOM 1584 CD2 LEU 101 13.656 -33.326 26.413 1.00 44.25 ATOM 1585 HD21 LEU 101 13.631 -32.367 26.908 1.00 3.05 ATOM 1586 HD22 LEU 101 13.334 -34.093 27.102 1.00 32.33 ATOM 1587 HD23 LEU 101 12.991 -33.308 25.561 1.00 64.43 ATOM 1588 C LEU 101 17.537 -35.353 26.031 1.00 4.41 ATOM 1589 O LEU 101 18.416 -34.488 26.054 1.00 41.12 ATOM 1590 N TYR 102 17.394 -36.258 27.001 1.00 72.34 ATOM 1591 HN TYR 102 16.721 -36.964 26.897 1.00 37.53 ATOM 1592 CA TYR 102 18.209 -36.224 28.225 1.00 30.41 ATOM 1593 HA TYR 102 18.059 -35.258 28.689 1.00 23.21 ATOM 1594 CB TYR 102 17.735 -37.315 29.199 1.00 53.14 ATOM 1595 HB1 TYR 102 17.947 -38.281 28.763 1.00 37.53 ATOM 1596 HB2 TYR 102 16.667 -37.222 29.338 1.00 23.20 ATOM 1597 CG TYR 102 18.383 -37.271 30.576 1.00 30.52 ATOM 1598 CD1 TYR 102 18.635 -36.062 31.214 1.00 44.02 ATOM 1599 HD1 TYR 102 18.377 -35.141 30.711 1.00 42.45 ATOM 1600 CD2 TYR 102 18.722 -38.443 31.247 1.00 35.11 ATOM 1601 HD2 TYR 102 18.537 -39.394 30.769 1.00 10.52 ATOM 1602 CE1 TYR 102 19.202 -36.020 32.474 1.00 2.34 ATOM 1603 HE1 TYR 102 19.388 -35.068 32.951 1.00 30.20 ATOM 1604 CE2 TYR 102 19.291 -38.407 32.506 1.00 1.03 ATOM 1605 HE2 TYR 102 19.544 -39.327 33.006 1.00 72.13 ATOM 1606 CZ TYR 102 19.530 -37.195 33.116 1.00 31.24 ATOM 1607 OH TYR 102 20.083 -37.159 34.379 1.00 3.22 ATOM 1608 HH TYR 102 20.696 -37.900 34.482 1.00 10.34 ATOM 1609 C TYR 102 19.710 -36.394 27.924 1.00 50.25 ATOM 1610 O TYR 102 20.559 -35.813 28.604 1.00 73.34 ATOM 1611 N GLN 103 20.036 -37.198 26.912 1.00 32.23 ATOM 1612 HN GLN 103 19.324 -37.661 26.421 1.00 37.53 ATOM 1613 CA GLN 103 21.439 -37.423 26.525 1.00 11.12 ATOM 1614 HA GLN 103 22.049 -37.262 27.404 1.00 63.41 ATOM 1615 CB GLN 103 21.633 -38.876 26.058 1.00 2.10 ATOM 1616 HB1 GLN 103 22.661 -39.012 25.750 1.00 37.53 ATOM 1617 HB2 GLN 103 20.987 -39.059 25.210 1.00 51.41 ATOM 1618 CG GLN 103 21.315 -39.916 27.132 1.00 42.31 ATOM 1619 HG1 GLN 103 21.462 -40.903 26.714 1.00 37.53 ATOM 1620 HG2 GLN 103 20.281 -39.805 27.426 1.00 61.01 ATOM 1621 CD GLN 103 22.188 -39.778 28.370 1.00 44.03 ATOM 1622 OE1 GLN 103 23.332 -39.342 28.296 1.00 63.04 ATOM 1623 NE2 GLN 103 21.660 -40.156 29.515 1.00 14.41 ATOM 1624 HE21 GLN 103 20.747 -40.506 29.513 1.00 41.34 ATOM 1625 HE22 GLN 103 22.207 -40.070 30.324 1.00 22.32 ATOM 1626 C GLN 103 21.902 -36.443 25.429 1.00 24.34 ATOM 1627 O GLN 103 23.102 -36.234 25.238 1.00 41.51 ATOM 1628 N GLY 104 20.951 -35.835 24.721 1.00 14.51 ATOM 1629 HN GLY 104 20.011 -36.032 24.915 1.00 37.53 ATOM 1630 CA GLY 104 21.290 -34.871 23.673 1.00 65.45 ATOM 1631 HA1 GLY 104 22.131 -34.277 24.006 1.00 37.53 ATOM 1632 HA2 GLY 104 20.445 -34.215 23.525 1.00 2.13 ATOM 1633 C GLY 104 21.641 -35.515 22.333 1.00 24.53 ATOM 1634 O GLY 104 22.566 -35.075 21.645 1.00 21.14 ATOM 1635 N GLN 105 20.897 -36.551 21.953 1.00 73.23 ATOM 1636 HN GLN 105 20.175 -36.855 22.539 1.00 37.53 ATOM 1637 CA GLN 105 21.130 -37.254 20.685 1.00 32.40 ATOM 1638 HA GLN 105 22.162 -37.089 20.402 1.00 52.44 ATOM 1639 CB GLN 105 20.908 -38.764 20.868 1.00 60.22 ATOM 1640 HB1 GLN 105 21.116 -39.265 19.931 1.00 37.53 ATOM 1641 HB2 GLN 105 19.874 -38.933 21.132 1.00 13.04 ATOM 1642 CG GLN 105 21.785 -39.388 21.949 1.00 3.24 ATOM 1643 HG1 GLN 105 21.570 -40.447 22.008 1.00 37.53 ATOM 1644 HG2 GLN 105 21.548 -38.924 22.896 1.00 23.50 ATOM 1645 CD GLN 105 23.269 -39.203 21.677 1.00 24.43 ATOM 1646 OE1 GLN 105 23.873 -38.223 22.099 1.00 24.23 ATOM 1647 NE2 GLN 105 23.867 -40.137 20.972 1.00 60.25 ATOM 1648 HE21 GLN 105 23.336 -40.898 20.661 1.00 5.32 ATOM 1649 HE22 GLN 105 24.821 -40.026 20.778 1.00 62.21 ATOM 1650 C GLN 105 20.225 -36.712 19.561 1.00 74.45 ATOM 1651 O GLN 105 20.626 -35.832 18.796 1.00 32.21 ATOM 1652 N ASN 106 18.996 -37.219 19.477 1.00 60.05 ATOM 1653 HN ASN 106 18.704 -37.876 20.140 1.00 37.53 ATOM 1654 CA ASN 106 18.069 -36.819 18.413 1.00 42.14 ATOM 1655 HA ASN 106 18.654 -36.541 17.547 1.00 34.01 ATOM 1656 CB ASN 106 17.149 -37.984 18.033 1.00 52.21 ATOM 1657 HB1 ASN 106 16.465 -37.653 17.264 1.00 37.53 ATOM 1658 HB2 ASN 106 16.582 -38.279 18.903 1.00 63.01 ATOM 1659 CG ASN 106 17.883 -39.207 17.521 1.00 74.30 ATOM 1660 OD1 ASN 106 19.004 -39.500 17.922 1.00 11.32 ATOM 1661 ND2 ASN 106 17.247 -39.931 16.622 1.00 42.04 ATOM 1662 HD21 ASN 106 16.358 -39.639 16.337 1.00 72.54 ATOM 1663 HD22 ASN 106 17.683 -40.737 16.287 1.00 3.21 ATOM 1664 C ASN 106 17.208 -35.616 18.832 1.00 13.12 ATOM 1665 O ASN 106 16.049 -35.775 19.220 1.00 31.13 ATOM 1666 N PHE 107 17.769 -34.413 18.757 1.00 52.20 ATOM 1667 HN PHE 107 18.705 -34.332 18.477 1.00 37.53 ATOM 1668 CA PHE 107 17.006 -33.209 19.102 1.00 1.45 ATOM 1669 HA PHE 107 16.550 -33.382 20.067 1.00 64.10 ATOM 1670 CB PHE 107 17.919 -31.981 19.209 1.00 22.45 ATOM 1671 HB1 PHE 107 18.382 -31.796 18.250 1.00 37.53 ATOM 1672 HB2 PHE 107 18.687 -32.171 19.945 1.00 3.51 ATOM 1673 CG PHE 107 17.168 -30.738 19.619 1.00 3.12 ATOM 1674 CD1 PHE 107 16.772 -30.558 20.937 1.00 24.12 ATOM 1675 HD1 PHE 107 17.028 -31.304 21.675 1.00 5.11 ATOM 1676 CD2 PHE 107 16.830 -29.766 18.686 1.00 43.51 ATOM 1677 HD2 PHE 107 17.133 -29.890 17.656 1.00 32.11 ATOM 1678 CE1 PHE 107 16.056 -29.439 21.314 1.00 62.41 ATOM 1679 HE1 PHE 107 15.754 -29.311 22.344 1.00 60.22 ATOM 1680 CE2 PHE 107 16.118 -28.643 19.062 1.00 5.55 ATOM 1681 HE2 PHE 107 15.863 -27.893 18.326 1.00 3.44 ATOM 1682 CZ PHE 107 15.730 -28.481 20.375 1.00 52.14 ATOM 1683 HZ PHE 107 15.169 -27.605 20.669 1.00 13.41 ATOM 1684 C PHE 107 15.884 -32.946 18.082 1.00 51.13 ATOM 1685 O PHE 107 14.856 -32.359 18.418 1.00 51.10 ATOM 1686 N ASN 108 16.082 -33.393 16.842 1.00 60.01 ATOM 1687 HN ASN 108 16.916 -33.862 16.634 1.00 37.53 ATOM 1688 CA ASN 108 15.079 -33.213 15.782 1.00 64.52 ATOM 1689 HA ASN 108 14.940 -32.149 15.646 1.00 22.43 ATOM 1690 CB ASN 108 15.577 -33.816 14.460 1.00 20.33 ATOM 1691 HB1 ASN 108 16.466 -33.286 14.144 1.00 37.53 ATOM 1692 HB2 ASN 108 14.811 -33.700 13.707 1.00 33.13 ATOM 1693 CG ASN 108 15.916 -35.293 14.577 1.00 75.42 ATOM 1694 OD1 ASN 108 16.327 -35.768 15.632 1.00 53.40 ATOM 1695 ND2 ASN 108 15.747 -36.033 13.501 1.00 42.41 ATOM 1696 HD21 ASN 108 15.418 -35.600 12.685 1.00 23.24 ATOM 1697 HD22 ASN 108 15.958 -36.986 13.560 1.00 74.14 ATOM 1698 C ASN 108 13.727 -33.834 16.178 1.00 25.13 ATOM 1699 O ASN 108 12.668 -33.253 15.929 1.00 14.24 ATOM 1700 N LYS 109 13.774 -35.013 16.802 1.00 22.44 ATOM 1701 HN LYS 109 14.643 -35.453 16.918 1.00 37.53 ATOM 1702 CA LYS 109 12.566 -35.670 17.318 1.00 50.34 ATOM 1703 HA LYS 109 11.896 -35.843 16.486 1.00 73.54 ATOM 1704 CB LYS 109 12.927 -37.015 17.964 1.00 40.12 ATOM 1705 HB1 LYS 109 12.026 -37.460 18.366 1.00 37.53 ATOM 1706 HB2 LYS 109 13.616 -36.833 18.777 1.00 75.04 ATOM 1707 CG LYS 109 13.569 -38.017 17.008 1.00 32.55 ATOM 1708 HG1 LYS 109 14.412 -37.545 16.521 1.00 37.53 ATOM 1709 HG2 LYS 109 12.841 -38.311 16.264 1.00 25.14 ATOM 1710 CD LYS 109 14.058 -39.266 17.742 1.00 41.42 ATOM 1711 HD1 LYS 109 14.755 -38.967 18.512 1.00 37.53 ATOM 1712 HD2 LYS 109 14.562 -39.910 17.036 1.00 70.53 ATOM 1713 CE LYS 109 12.919 -40.045 18.386 1.00 3.33 ATOM 1714 HE1 LYS 109 12.313 -40.479 17.605 1.00 37.53 ATOM 1715 HE2 LYS 109 12.320 -39.369 18.976 1.00 72.33 ATOM 1716 NZ LYS 109 13.425 -41.132 19.263 1.00 20.13 ATOM 1717 HZ1 LYS 109 14.004 -40.730 20.031 1.00 52.44 ATOM 1718 HZ2 LYS 109 14.009 -41.796 18.715 1.00 32.01 ATOM 1719 HZ3 LYS 109 12.631 -41.656 19.686 1.00 64.11 ATOM 1720 C LYS 109 11.864 -34.777 18.350 1.00 34.11 ATOM 1721 O LYS 109 10.653 -34.555 18.284 1.00 43.35 ATOM 1722 N VAL 110 12.648 -34.267 19.297 1.00 72.23 ATOM 1723 HN VAL 110 13.601 -34.499 19.297 1.00 37.53 ATOM 1724 CA VAL 110 12.137 -33.376 20.342 1.00 23.14 ATOM 1725 HA VAL 110 11.390 -33.918 20.906 1.00 54.14 ATOM 1726 CB VAL 110 13.269 -32.954 21.312 1.00 63.14 ATOM 1727 HB VAL 110 13.968 -32.335 20.762 1.00 52.43 ATOM 1728 CG1 VAL 110 12.718 -32.124 22.472 1.00 64.32 ATOM 1729 HG11 VAL 110 13.525 -31.859 23.139 1.00 11.01 ATOM 1730 HG12 VAL 110 11.981 -32.701 23.013 1.00 52.23 ATOM 1731 HG13 VAL 110 12.260 -31.224 22.089 1.00 34.03 ATOM 1732 CG2 VAL 110 14.027 -34.177 21.826 1.00 72.44 ATOM 1733 HG21 VAL 110 14.816 -33.858 22.492 1.00 63.40 ATOM 1734 HG22 VAL 110 14.457 -34.714 20.993 1.00 4.51 ATOM 1735 HG23 VAL 110 13.348 -34.825 22.359 1.00 15.31 ATOM 1736 C VAL 110 11.498 -32.112 19.744 1.00 5.23 ATOM 1737 O VAL 110 10.331 -31.811 19.996 1.00 12.00 ATOM 1738 N LEU 111 12.275 -31.391 18.941 1.00 62.22 ATOM 1739 HN LEU 111 13.179 -31.713 18.747 1.00 37.53 ATOM 1740 CA LEU 111 11.831 -30.132 18.338 1.00 44.03 ATOM 1741 HA LEU 111 11.620 -29.441 19.142 1.00 24.31 ATOM 1742 CB LEU 111 12.953 -29.546 17.467 1.00 2.42 ATOM 1743 HB1 LEU 111 13.141 -30.234 16.654 1.00 37.53 ATOM 1744 HB2 LEU 111 13.848 -29.479 18.071 1.00 34.31 ATOM 1745 CG LEU 111 12.672 -28.156 16.867 1.00 61.51 ATOM 1746 HG LEU 111 11.786 -28.212 16.251 1.00 54.34 ATOM 1747 CD1 LEU 111 12.407 -27.129 17.966 1.00 65.40 ATOM 1748 HD11 LEU 111 11.555 -27.444 18.555 1.00 71.22 ATOM 1749 HD12 LEU 111 12.196 -26.168 17.519 1.00 51.33 ATOM 1750 HD13 LEU 111 13.275 -27.046 18.605 1.00 53.32 ATOM 1751 CD2 LEU 111 13.833 -27.713 15.976 1.00 3.44 ATOM 1752 HD21 LEU 111 13.941 -28.407 15.156 1.00 42.33 ATOM 1753 HD22 LEU 111 14.748 -27.692 16.550 1.00 73.34 ATOM 1754 HD23 LEU 111 13.632 -26.725 15.585 1.00 44.34 ATOM 1755 C LEU 111 10.551 -30.318 17.505 1.00 43.43 ATOM 1756 O LEU 111 9.588 -29.569 17.664 1.00 30.42 ATOM 1757 N SER 112 10.541 -31.324 16.628 1.00 51.04 ATOM 1758 HN SER 112 11.339 -31.892 16.542 1.00 37.53 ATOM 1759 CA SER 112 9.366 -31.602 15.786 1.00 73.53 ATOM 1760 HA SER 112 9.163 -30.712 15.206 1.00 73.34 ATOM 1761 CB SER 112 9.644 -32.764 14.821 1.00 61.11 ATOM 1762 HB1 SER 112 9.878 -33.654 15.389 1.00 37.53 ATOM 1763 HB2 SER 112 10.481 -32.512 14.188 1.00 45.25 ATOM 1764 OG SER 112 8.517 -33.027 13.996 1.00 3.20 ATOM 1765 HG SER 112 8.720 -33.760 13.401 1.00 31.31 ATOM 1766 C SER 112 8.129 -31.923 16.635 1.00 53.24 ATOM 1767 O SER 112 7.012 -31.519 16.305 1.00 62.22 ATOM 1768 N SER 113 8.333 -32.647 17.736 1.00 51.41 ATOM 1769 HN SER 113 9.239 -32.975 17.930 1.00 37.53 ATOM 1770 CA SER 113 7.240 -32.970 18.664 1.00 3.21 ATOM 1771 HA SER 113 6.442 -33.421 18.088 1.00 53.43 ATOM 1772 CB SER 113 7.714 -33.972 19.727 1.00 63.12 ATOM 1773 HB1 SER 113 8.477 -33.514 20.341 1.00 37.53 ATOM 1774 HB2 SER 113 8.125 -34.843 19.238 1.00 12.31 ATOM 1775 OG SER 113 6.645 -34.387 20.564 1.00 53.30 ATOM 1776 HG SER 113 6.023 -34.916 20.050 1.00 73.20 ATOM 1777 C SER 113 6.704 -31.701 19.341 1.00 43.41 ATOM 1778 O SER 113 5.491 -31.523 19.481 1.00 62.32 ATOM 1779 N LEU 114 7.616 -30.814 19.742 1.00 45.55 ATOM 1780 HN LEU 114 8.567 -31.034 19.643 1.00 37.53 ATOM 1781 CA LEU 114 7.243 -29.522 20.333 1.00 11.10 ATOM 1782 HA LEU 114 6.612 -29.718 21.190 1.00 11.51 ATOM 1783 CB LEU 114 8.495 -28.768 20.798 1.00 53.10 ATOM 1784 HB1 LEU 114 8.189 -27.803 21.180 1.00 37.53 ATOM 1785 HB2 LEU 114 9.130 -28.608 19.937 1.00 51.05 ATOM 1786 CG LEU 114 9.324 -29.472 21.883 1.00 53.45 ATOM 1787 HG LEU 114 9.641 -30.436 21.510 1.00 25.35 ATOM 1788 CD1 LEU 114 10.577 -28.665 22.206 1.00 21.21 ATOM 1789 HD11 LEU 114 10.297 -27.680 22.552 1.00 61.12 ATOM 1790 HD12 LEU 114 11.187 -28.573 21.320 1.00 11.33 ATOM 1791 HD13 LEU 114 11.142 -29.169 22.978 1.00 24.23 ATOM 1792 CD2 LEU 114 8.488 -29.708 23.142 1.00 63.01 ATOM 1793 HD21 LEU 114 7.640 -30.334 22.901 1.00 65.32 ATOM 1794 HD22 LEU 114 8.138 -28.761 23.529 1.00 64.44 ATOM 1795 HD23 LEU 114 9.095 -30.199 23.890 1.00 41.32 ATOM 1796 C LEU 114 6.462 -28.660 19.331 1.00 64.13 ATOM 1797 O LEU 114 5.440 -28.065 19.673 1.00 22.55 ATOM 1798 N VAL 115 6.955 -28.595 18.095 1.00 11.11 ATOM 1799 HN VAL 115 7.803 -29.045 17.898 1.00 37.53 ATOM 1800 CA VAL 115 6.267 -27.868 17.023 1.00 73.22 ATOM 1801 HA VAL 115 6.197 -26.830 17.322 1.00 62.13 ATOM 1802 CB VAL 115 7.059 -27.939 15.690 1.00 15.44 ATOM 1803 HB VAL 115 7.192 -28.982 15.433 1.00 74.15 ATOM 1804 CG1 VAL 115 6.291 -27.266 14.552 1.00 63.21 ATOM 1805 HG11 VAL 115 6.863 -27.343 13.637 1.00 0.11 ATOM 1806 HG12 VAL 115 6.131 -26.223 14.789 1.00 0.21 ATOM 1807 HG13 VAL 115 5.337 -27.756 14.420 1.00 20.41 ATOM 1808 CG2 VAL 115 8.442 -27.309 15.848 1.00 2.42 ATOM 1809 HG21 VAL 115 8.996 -27.838 16.609 1.00 41.33 ATOM 1810 HG22 VAL 115 8.338 -26.272 16.137 1.00 4.15 ATOM 1811 HG23 VAL 115 8.974 -27.368 14.910 1.00 11.42 ATOM 1812 C VAL 115 4.849 -28.420 16.809 1.00 21.54 ATOM 1813 O VAL 115 3.885 -27.662 16.734 1.00 64.51 ATOM 1814 N THR 116 4.727 -29.746 16.725 1.00 3.24 ATOM 1815 HN THR 116 5.538 -30.300 16.732 1.00 37.53 ATOM 1816 CA THR 116 3.413 -30.398 16.610 1.00 14.23 ATOM 1817 HA THR 116 2.949 -30.046 15.697 1.00 14.15 ATOM 1818 CB THR 116 3.539 -31.941 16.522 1.00 41.13 ATOM 1819 HB THR 116 4.105 -32.288 17.377 1.00 50.02 ATOM 1820 OG1 THR 116 4.241 -32.308 15.321 1.00 24.40 ATOM 1821 HG1 THR 116 4.973 -32.896 15.546 1.00 31.44 ATOM 1822 CG2 THR 116 2.165 -32.615 16.539 1.00 71.11 ATOM 1823 HG21 THR 116 1.651 -32.372 17.461 1.00 31.34 ATOM 1824 HG22 THR 116 2.287 -33.685 16.470 1.00 42.11 ATOM 1825 HG23 THR 116 1.579 -32.265 15.700 1.00 53.03 ATOM 1826 C THR 116 2.508 -30.036 17.795 1.00 24.24 ATOM 1827 O THR 116 1.329 -29.729 17.617 1.00 61.51 ATOM 1828 N LEU 117 3.072 -30.069 19.002 1.00 3.31 ATOM 1829 HN LEU 117 4.003 -30.370 19.084 1.00 37.53 ATOM 1830 CA LEU 117 2.345 -29.673 20.215 1.00 61.32 ATOM 1831 HA LEU 117 1.492 -30.330 20.319 1.00 11.21 ATOM 1832 CB LEU 117 3.252 -29.833 21.442 1.00 21.35 ATOM 1833 HB1 LEU 117 4.133 -29.223 21.292 1.00 37.53 ATOM 1834 HB2 LEU 117 3.561 -30.869 21.499 1.00 33.22 ATOM 1835 CG LEU 117 2.620 -29.442 22.789 1.00 24.52 ATOM 1836 HG LEU 117 2.273 -28.420 22.729 1.00 64.55 ATOM 1837 CD1 LEU 117 1.414 -30.324 23.105 1.00 53.22 ATOM 1838 HD11 LEU 117 1.722 -31.359 23.152 1.00 32.32 ATOM 1839 HD12 LEU 117 0.666 -30.206 22.333 1.00 71.31 ATOM 1840 HD13 LEU 117 0.994 -30.031 24.057 1.00 12.24 ATOM 1841 CD2 LEU 117 3.656 -29.519 23.907 1.00 42.14 ATOM 1842 HD21 LEU 117 4.057 -30.522 23.962 1.00 51.01 ATOM 1843 HD22 LEU 117 3.190 -29.266 24.849 1.00 55.12 ATOM 1844 HD23 LEU 117 4.457 -28.822 23.706 1.00 20.01 ATOM 1845 C LEU 117 1.844 -28.221 20.110 1.00 72.25 ATOM 1846 O LEU 117 0.701 -27.916 20.456 1.00 62.13 ATOM 1847 N ASN 118 2.709 -27.334 19.622 1.00 24.25 ATOM 1848 HN ASN 118 3.619 -27.630 19.406 1.00 37.53 ATOM 1849 CA ASN 118 2.353 -25.927 19.406 1.00 21.51 ATOM 1850 HA ASN 118 1.985 -25.527 20.341 1.00 62.34 ATOM 1851 CB ASN 118 3.600 -25.135 18.977 1.00 2.32 ATOM 1852 HB1 ASN 118 3.906 -25.465 17.994 1.00 37.53 ATOM 1853 HB2 ASN 118 4.399 -25.330 19.678 1.00 34.45 ATOM 1854 CG ASN 118 3.374 -23.631 18.928 1.00 25.31 ATOM 1855 OD1 ASN 118 3.870 -22.949 18.037 1.00 21.45 ATOM 1856 ND2 ASN 118 2.675 -23.087 19.909 1.00 33.45 ATOM 1857 HD21 ASN 118 2.337 -23.663 20.622 1.00 61.05 ATOM 1858 HD22 ASN 118 2.530 -22.119 19.880 1.00 50.43 ATOM 1859 C ASN 118 1.248 -25.799 18.339 1.00 2.34 ATOM 1860 O ASN 118 0.315 -25.018 18.490 1.00 12.11 ATOM 1861 N LYS 119 1.360 -26.588 17.270 1.00 33.12 ATOM 1862 HN LYS 119 2.129 -27.192 17.211 1.00 37.53 ATOM 1863 CA LYS 119 0.378 -26.575 16.175 1.00 2.31 ATOM 1864 HA LYS 119 0.312 -25.560 15.807 1.00 23.12 ATOM 1865 CB LYS 119 0.846 -27.485 15.029 1.00 13.04 ATOM 1866 HB1 LYS 119 0.048 -27.567 14.304 1.00 37.53 ATOM 1867 HB2 LYS 119 1.054 -28.469 15.429 1.00 41.32 ATOM 1868 CG LYS 119 2.096 -26.990 14.308 1.00 13.11 ATOM 1869 HG1 LYS 119 2.863 -26.784 15.042 1.00 37.53 ATOM 1870 HG2 LYS 119 1.857 -26.082 13.774 1.00 34.43 ATOM 1871 CD LYS 119 2.625 -28.026 13.316 1.00 34.33 ATOM 1872 HD1 LYS 119 2.895 -28.922 13.859 1.00 37.53 ATOM 1873 HD2 LYS 119 3.501 -27.625 12.828 1.00 23.00 ATOM 1874 CE LYS 119 1.593 -28.389 12.250 1.00 74.54 ATOM 1875 HE1 LYS 119 1.347 -27.501 11.684 1.00 37.53 ATOM 1876 HE2 LYS 119 0.704 -28.761 12.739 1.00 40.04 ATOM 1877 NZ LYS 119 2.103 -29.433 11.319 1.00 21.31 ATOM 1878 HZ1 LYS 119 2.273 -30.319 11.837 1.00 73.25 ATOM 1879 HZ2 LYS 119 2.998 -29.120 10.888 1.00 31.12 ATOM 1880 HZ3 LYS 119 1.411 -29.612 10.563 1.00 54.22 ATOM 1881 C LYS 119 -1.017 -27.019 16.644 1.00 11.01 ATOM 1882 O LYS 119 -2.008 -26.322 16.416 1.00 51.21 ATOM 1883 N VAL 120 -1.094 -28.183 17.286 1.00 65.10 ATOM 1884 HN VAL 120 -0.270 -28.682 17.467 1.00 37.53 ATOM 1885 CA VAL 120 -2.379 -28.739 17.728 1.00 63.41 ATOM 1886 HA VAL 120 -3.020 -28.802 16.855 1.00 72.51 ATOM 1887 CB VAL 120 -2.215 -30.174 18.302 1.00 41.21 ATOM 1888 HB VAL 120 -3.188 -30.523 18.626 1.00 62.23 ATOM 1889 CG1 VAL 120 -1.710 -31.130 17.219 1.00 30.01 ATOM 1890 HG11 VAL 120 -0.752 -30.789 16.853 1.00 74.03 ATOM 1891 HG12 VAL 120 -2.417 -31.155 16.402 1.00 31.22 ATOM 1892 HG13 VAL 120 -1.605 -32.124 17.631 1.00 11.11 ATOM 1893 CG2 VAL 120 -1.277 -30.186 19.511 1.00 1.53 ATOM 1894 HG21 VAL 120 -1.688 -29.567 20.296 1.00 44.23 ATOM 1895 HG22 VAL 120 -0.309 -29.803 19.222 1.00 0.22 ATOM 1896 HG23 VAL 120 -1.167 -31.200 19.874 1.00 0.20 ATOM 1897 C VAL 120 -3.070 -27.834 18.763 1.00 40.33 ATOM 1898 O VAL 120 -4.296 -27.716 18.777 1.00 12.04 ATOM 1899 N THR 121 -2.281 -27.184 19.615 1.00 61.13 ATOM 1900 HN THR 121 -1.310 -27.329 19.577 1.00 37.53 ATOM 1901 CA THR 121 -2.829 -26.256 20.615 1.00 13.12 ATOM 1902 HA THR 121 -3.761 -26.677 20.971 1.00 74.12 ATOM 1903 CB THR 121 -1.886 -26.094 21.828 1.00 15.33 ATOM 1904 HB THR 121 -2.300 -25.346 22.490 1.00 45.21 ATOM 1905 OG1 THR 121 -0.585 -25.668 21.398 1.00 74.11 ATOM 1906 HG1 THR 121 0.019 -26.419 21.424 1.00 30.10 ATOM 1907 CG2 THR 121 -1.768 -27.405 22.596 1.00 61.45 ATOM 1908 HG21 THR 121 -1.122 -27.265 23.450 1.00 1.31 ATOM 1909 HG22 THR 121 -1.350 -28.164 21.952 1.00 20.45 ATOM 1910 HG23 THR 121 -2.747 -27.718 22.931 1.00 62.12 ATOM 1911 C THR 121 -3.126 -24.878 20.007 1.00 31.20 ATOM 1912 O THR 121 -4.053 -24.187 20.434 1.00 1.12 ATOM 1913 N ALA 122 -2.339 -24.482 19.006 1.00 4.50 ATOM 1914 HN ALA 122 -1.556 -25.023 18.775 1.00 37.53 ATOM 1915 CA ALA 122 -2.601 -23.249 18.253 1.00 22.13 ATOM 1916 HA ALA 122 -2.690 -22.437 18.963 1.00 4.53 ATOM 1917 CB ALA 122 -1.442 -22.932 17.312 1.00 22.32 ATOM 1918 HB1 ALA 122 -0.531 -22.830 17.882 1.00 41.15 ATOM 1919 HB2 ALA 122 -1.642 -22.009 16.786 1.00 12.41 ATOM 1920 HB3 ALA 122 -1.329 -23.735 16.596 1.00 25.22 ATOM 1921 C ALA 122 -3.910 -23.362 17.461 1.00 25.04 ATOM 1922 O ALA 122 -4.653 -22.388 17.328 1.00 10.13 ATOM 1923 N ASP 123 -4.180 -24.558 16.935 1.00 44.10 ATOM 1924 HN ASP 123 -3.513 -25.272 17.015 1.00 37.53 ATOM 1925 CA ASP 123 -5.439 -24.833 16.236 1.00 3.32 ATOM 1926 HA ASP 123 -5.530 -24.126 15.422 1.00 33.14 ATOM 1927 CB ASP 123 -5.430 -26.258 15.668 1.00 71.05 ATOM 1928 HB1 ASP 123 -5.484 -26.967 16.484 1.00 37.53 ATOM 1929 HB2 ASP 123 -4.507 -26.416 15.127 1.00 74.51 ATOM 1930 CG ASP 123 -6.594 -26.516 14.725 1.00 12.13 ATOM 1931 OD1 ASP 123 -7.707 -26.810 15.209 1.00 63.31 ATOM 1932 OD2 ASP 123 -6.401 -26.425 13.493 1.00 43.41 ATOM 1933 C ASP 123 -6.626 -24.646 17.194 1.00 53.34 ATOM 1934 O ASP 123 -7.597 -23.960 16.871 1.00 72.45 ATOM 1935 N ILE 124 -6.531 -25.262 18.378 1.00 13.14 ATOM 1936 HN ILE 124 -5.786 -25.885 18.532 1.00 37.53 ATOM 1937 CA ILE 124 -7.517 -25.051 19.449 1.00 10.05 ATOM 1938 HA ILE 124 -8.489 -25.342 19.073 1.00 10.42 ATOM 1939 CB ILE 124 -7.188 -25.919 20.696 1.00 25.53 ATOM 1940 HB ILE 124 -6.217 -25.617 21.066 1.00 52.31 ATOM 1941 CG1 ILE 124 -7.132 -27.409 20.316 1.00 41.13 ATOM 1942 HG11 ILE 124 -6.401 -27.546 19.531 1.00 37.53 ATOM 1943 HG12 ILE 124 -8.101 -27.720 19.955 1.00 11.22 ATOM 1944 CG2 ILE 124 -8.209 -25.684 21.813 1.00 21.45 ATOM 1945 HG21 ILE 124 -7.977 -26.321 22.655 1.00 70.23 ATOM 1946 HG22 ILE 124 -9.202 -25.912 21.454 1.00 1.03 ATOM 1947 HG23 ILE 124 -8.169 -24.651 22.126 1.00 51.31 ATOM 1948 CD1 ILE 124 -6.754 -28.325 21.465 1.00 22.55 ATOM 1949 HD11 ILE 124 -7.484 -28.234 22.257 1.00 5.22 ATOM 1950 HD12 ILE 124 -5.778 -28.050 21.841 1.00 61.24 ATOM 1951 HD13 ILE 124 -6.730 -29.346 21.115 1.00 33.40 ATOM 1952 C ILE 124 -7.560 -23.568 19.863 1.00 65.32 ATOM 1953 O ILE 124 -8.600 -23.044 20.271 1.00 63.12 ATOM 1954 N GLY 125 -6.416 -22.898 19.752 1.00 10.31 ATOM 1955 HN GLY 125 -5.612 -23.379 19.464 1.00 37.53 ATOM 1956 CA GLY 125 -6.338 -21.473 20.046 1.00 40.33 ATOM 1957 HA1 GLY 125 -7.315 -21.031 19.901 1.00 37.53 ATOM 1958 HA2 GLY 125 -5.647 -21.016 19.352 1.00 54.32 ATOM 1959 C GLY 125 -5.870 -21.173 21.465 1.00 62.00 ATOM 1960 O GLY 125 -6.533 -20.441 22.202 1.00 11.03 ATOM 1961 N LEU 126 -4.732 -21.742 21.853 1.00 64.00 ATOM 1962 HN LEU 126 -4.269 -22.350 21.238 1.00 37.53 ATOM 1963 HA LEU 126 -4.931 -21.089 23.812 1.00 62.35 ATOM 1964 CB LEU 126 -3.647 -22.804 23.799 1.00 72.55 ATOM 1965 HB1 LEU 126 -3.185 -22.575 24.749 1.00 37.53 ATOM 1966 HB2 LEU 126 -2.892 -23.219 23.143 1.00 1.31 ATOM 1967 CG LEU 126 -4.729 -23.876 24.033 1.00 24.32 ATOM 1968 HG LEU 126 -5.148 -24.164 23.079 1.00 31.31 ATOM 1969 CD1 LEU 126 -4.129 -25.126 24.670 1.00 54.15 ATOM 1970 HD11 LEU 126 -3.360 -25.525 24.027 1.00 1.43 ATOM 1971 HD12 LEU 126 -4.902 -25.867 24.807 1.00 31.31 ATOM 1972 HD13 LEU 126 -3.700 -24.873 25.631 1.00 4.44 ATOM 1973 CD2 LEU 126 -5.863 -23.325 24.896 1.00 11.31 ATOM 1974 HD21 LEU 126 -6.597 -24.099 25.065 1.00 35.34 ATOM 1975 HD22 LEU 126 -6.332 -22.493 24.390 1.00 21.00 ATOM 1976 HD23 LEU 126 -5.467 -22.991 25.845 1.00 22.32 ATOM 1977 CA LEU 126 -4.149 -21.491 23.179 1.00 12.23 ATOM 1978 C LEU 126 -3.004 -20.461 23.101 1.00 24.34 ATOM 1979 OT1 LEU 126 -3.233 -19.281 23.459 1.00 37.53 ATOM 1980 OT2 LEU 126 -1.890 -20.827 22.662 1.00 37.53 ATOM 1981 OH2 TIP3 1 -2.580 -42.309 10.379 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -2.575 -42.942 11.117 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -1.706 -42.427 9.951 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 0.021 -34.600 11.122 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 0.438 -35.491 11.225 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -0.936 -34.774 11.270 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -5.654 -40.277 12.169 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -5.957 -40.759 12.963 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.195 -40.654 11.442 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.978 -42.097 9.021 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -4.150 -42.158 9.543 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.685 -42.134 8.107 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -3.243 -43.526 13.317 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -3.291 -42.643 13.728 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.071 -43.966 13.597 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -3.000 -39.968 11.796 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -2.863 -40.707 11.165 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -3.982 -39.881 11.853 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.636 -46.444 25.440 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.606 -47.092 26.147 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -8.397 -46.957 24.636 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -8.608 -43.897 26.536 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -8.684 -44.767 26.079 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -8.514 -44.134 27.485 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -3.032 -43.738 26.719 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -3.130 -43.440 25.788 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -3.852 -43.419 27.162 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.958 -42.572 12.833 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.662 -43.105 13.588 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.613 -41.959 13.217 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -9.856 -44.637 18.318 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.623 -44.152 18.697 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.167 -43.953 18.225 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 0.723 -44.694 25.857 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 0.170 -45.223 26.466 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 0.321 -44.848 24.984 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -8.230 -42.490 24.231 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -8.472 -42.944 25.064 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.072 -41.566 24.498 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.461 -44.707 22.912 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -7.663 -43.858 23.378 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.296 -45.187 22.930 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.930 -46.399 16.663 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.509 -46.564 17.530 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -6.883 -46.558 16.824 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -2.898 -38.330 15.542 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -2.458 -38.347 16.403 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -2.383 -37.679 15.024 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.439 -41.482 27.496 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.889 -42.297 27.188 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -7.487 -40.875 26.718 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.612 -37.495 18.342 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.314 -36.914 18.701 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.809 -37.233 18.835 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -5.732 -38.295 15.771 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -4.801 -38.242 15.475 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -5.731 -37.839 16.645 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -1.435 -45.930 27.114 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -1.508 -46.324 28.014 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -2.154 -45.263 27.088 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -8.630 -44.378 15.308 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.712 -45.234 15.774 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.468 -43.907 15.518 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.238 -46.307 22.763 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -6.005 -45.784 23.072 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.621 -46.929 22.116 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -7.808 -50.865 23.332 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -6.968 -51.258 23.588 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -8.441 -51.587 23.398 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.001 -48.117 23.326 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -7.999 -49.098 23.354 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -7.488 -47.903 22.529 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -6.369 -40.601 17.128 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -6.209 -39.689 16.799 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -6.558 -40.482 18.083 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -2.714 -43.065 24.046 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -2.366 -42.193 23.771 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -3.078 -43.449 23.217 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.440 -47.760 20.790 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.879 -48.420 20.250 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -5.756 -47.377 20.193 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -7.914 -42.857 17.477 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -7.586 -41.996 17.155 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -8.012 -43.394 16.664 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -5.025 -42.627 28.172 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -5.893 -42.293 27.862 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -4.778 -42.017 28.896 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -0.645 -49.174 19.424 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -0.345 -50.061 19.638 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -0.040 -48.588 19.931 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.738 -43.412 21.216 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -4.877 -43.848 21.374 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -6.367 -43.912 21.778 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -11.593 -42.702 19.186 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -11.884 -42.266 20.003 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -11.344 -41.966 18.602 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -10.559 -42.480 15.782 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -10.878 -41.735 15.235 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -10.499 -42.104 16.677 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -7.458 -39.994 25.214 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -7.868 -39.164 24.893 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -6.516 -39.911 24.949 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -11.590 -40.124 20.424 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -10.665 -39.945 20.667 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -11.587 -40.105 19.458 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -8.168 -44.011 29.225 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -7.373 -44.298 29.724 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -8.355 -43.134 29.571 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -5.472 -44.713 14.623 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -6.319 -44.382 14.278 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -5.728 -45.473 15.198 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.322 -43.289 10.255 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.583 -43.062 11.174 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.855 -44.057 10.040 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -10.897 -40.266 14.206 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -10.895 -39.562 14.886 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -10.227 -39.969 13.556 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.949 -41.641 14.562 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.271 -41.150 15.336 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.996 -41.411 14.513 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -10.459 -40.457 17.858 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -10.424 -39.718 17.212 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -9.804 -40.201 18.549 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -8.661 -46.627 16.982 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -9.242 -47.392 16.936 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -9.117 -46.014 17.614 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.700 -39.985 12.539 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -8.841 -40.951 12.564 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -8.239 -39.838 11.696 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.321 -41.094 30.340 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.555 -41.148 31.295 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -3.390 -41.397 30.310 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.336 -40.858 14.381 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.147 -40.567 13.464 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.119 -40.074 14.926 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.300 -41.420 10.346 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.004 -42.086 10.184 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.554 -41.716 9.776 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.728 -44.059 30.442 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.337 -43.828 29.579 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.017 -43.879 31.083 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -1.109 -44.899 14.450 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.860 -44.500 13.965 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -0.412 -44.215 14.415 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -1.483 -45.540 24.316 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -1.969 -44.688 24.314 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -1.645 -45.905 25.209 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -10.254 -38.312 16.086 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -9.455 -38.128 15.544 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -10.586 -37.421 16.327 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 0.364 -42.833 17.331 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 0.639 -42.729 16.395 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 0.813 -42.101 17.797 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -1.928 -45.488 19.246 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -1.201 -45.678 18.615 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -1.608 -45.858 20.099 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.378 -44.615 21.870 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -2.566 -45.121 21.672 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.981 -45.284 22.283 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -0.410 -45.374 17.030 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -0.669 -45.435 16.083 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -0.191 -44.421 17.156 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -4.474 -46.882 19.037 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -3.871 -47.487 18.541 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.877 -46.200 19.395 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -1.663 -41.893 30.332 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -1.399 -42.479 29.586 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -1.344 -41.024 30.069 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -1.499 -45.500 32.877 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -0.543 -45.544 32.636 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -1.498 -45.460 33.862 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.552 -48.245 17.701 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -2.027 -48.244 16.896 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -1.943 -48.609 18.385 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -8.366 -39.163 31.705 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -7.759 -39.404 30.969 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -9.238 -39.153 31.296 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.763 -39.938 29.657 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -7.056 -40.463 28.879 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.876 -40.301 29.870 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -7.584 -37.633 21.224 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -6.785 -37.417 21.741 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -7.622 -36.932 20.539 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -6.966 -41.600 19.700 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -7.376 -42.251 19.094 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -6.497 -42.161 20.370 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -8.133 -37.864 14.414 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -7.238 -38.025 14.788 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -8.196 -38.493 13.666 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -2.691 -41.583 43.608 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -3.119 -42.453 43.537 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -2.463 -41.352 42.686 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -4.493 -38.227 38.205 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -4.684 -38.901 38.884 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -3.894 -38.671 37.595 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -3.697 -43.285 40.396 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -4.034 -43.697 41.217 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -3.098 -42.585 40.714 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.198 -41.065 40.968 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.942 -40.520 40.631 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -1.599 -41.162 40.193 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -1.815 -43.934 38.405 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -2.573 -43.828 39.017 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -1.353 -43.067 38.443 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -0.113 -47.655 39.967 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.312 -48.546 40.262 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 0.871 -47.630 39.921 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -4.737 -40.517 39.899 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -5.646 -40.473 40.266 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -4.627 -41.451 39.657 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -7.371 -40.809 40.724 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -7.887 -41.534 41.089 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -7.646 -40.774 39.774 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -8.165 -40.988 38.133 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -8.613 -40.247 37.720 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -7.986 -41.605 37.386 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -2.567 -40.462 34.727 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -2.265 -40.691 35.643 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.690 -39.482 34.755 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -2.762 -37.754 34.854 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -3.618 -37.283 34.857 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.130 -37.097 34.494 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -3.478 -47.050 31.916 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.604 -47.831 32.461 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.725 -46.579 32.336 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -5.943 -42.343 44.457 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.025 -42.142 45.393 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -6.191 -41.502 44.009 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -0.338 -43.083 35.648 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -0.695 -42.368 36.226 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -0.988 -43.799 35.727 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -1.869 -45.456 35.589 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -2.593 -45.171 36.162 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -1.230 -45.881 36.207 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -4.253 -43.897 43.038 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.371 -44.763 43.440 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.933 -43.333 43.482 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -0.344 -46.122 37.731 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -0.800 -45.313 38.061 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -0.317 -46.715 38.516 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.526 -41.479 33.017 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -3.905 -41.119 33.688 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.313 -42.437 32.983 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -3.842 -44.113 32.452 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -4.324 -44.956 32.416 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.904 -44.382 32.533 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -4.210 -36.585 44.544 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.048 -37.529 44.299 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -4.147 -36.097 43.687 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 1.957 -43.085 38.098 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 2.425 -42.368 37.617 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 1.081 -42.699 38.302 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 2.176 -45.484 36.734 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 1.341 -45.902 37.034 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 2.188 -44.620 37.202 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 1.821 -44.168 42.016 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 1.366 -43.310 41.852 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 1.116 -44.823 41.959 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -3.999 -39.218 44.080 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -4.876 -39.523 43.776 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -3.443 -40.025 44.049 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 1.742 -44.280 34.293 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 1.992 -44.834 35.062 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 1.067 -43.663 34.658 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.734 -46.600 29.747 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -1.105 -46.230 30.379 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -2.510 -46.833 30.292 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -6.532 -39.976 43.266 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -6.835 -40.109 42.345 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -6.789 -39.044 43.472 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -6.790 -37.309 43.729 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -6.929 -36.545 43.160 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.008 -37.070 44.262 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -7.897 -42.376 35.756 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -7.653 -41.794 34.996 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -8.011 -43.242 35.360 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 4.695 -33.484 9.355 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 3.746 -33.720 9.383 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 5.142 -34.321 9.172 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -0.411 -26.563 9.893 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -1.216 -26.460 10.462 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -0.351 -27.534 9.746 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -6.128 -29.351 9.813 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -6.879 -29.843 9.417 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.564 -28.654 10.351 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 0.028 -31.652 11.384 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -0.016 -32.615 11.241 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -0.674 -31.475 12.047 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -3.432 -28.417 9.226 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -3.724 -27.519 8.995 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -4.264 -28.900 9.388 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.532 -25.355 9.848 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.094 -24.687 10.282 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.552 -26.118 10.464 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.632 -23.822 11.924 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -12.063 -23.556 12.761 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -10.701 -23.566 12.045 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 2.039 -23.136 10.982 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 2.083 -22.156 10.875 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 1.079 -23.333 10.931 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -7.846 -25.491 9.522 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -7.647 -24.564 9.771 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -8.827 -25.498 9.399 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -2.623 -28.385 14.274 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -2.683 -27.637 14.885 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -3.215 -28.136 13.531 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.135 -29.453 15.732 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.929 -29.501 15.144 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.403 -29.223 15.125 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -8.690 -30.321 9.347 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -9.468 -29.875 9.004 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -8.893 -30.459 10.299 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.431 -20.054 12.430 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -2.816 -19.959 13.199 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -2.847 -20.234 11.684 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -5.105 -26.002 9.060 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -4.970 -25.786 10.001 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -6.070 -26.133 8.982 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -5.239 -24.782 11.624 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -5.634 -25.310 12.360 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -5.959 -24.178 11.351 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -7.512 -27.523 11.318 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -7.618 -26.779 10.687 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -7.183 -27.094 12.146 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -5.071 -23.275 8.472 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -5.937 -22.992 8.813 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -5.126 -24.254 8.461 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 2.152 -25.477 9.505 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 1.235 -25.813 9.586 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 2.139 -24.625 9.990 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -4.382 -27.858 12.320 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -5.210 -27.470 12.688 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -4.632 -28.772 12.072 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -3.224 -23.130 10.611 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -3.724 -23.044 9.777 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -3.875 -23.495 11.238 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -9.296 -30.552 12.010 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -9.118 -29.880 12.706 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.001 -31.395 12.413 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -12.586 -23.388 14.503 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -13.049 -22.572 14.806 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -11.775 -23.417 15.058 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -10.200 -27.198 11.820 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.147 -26.644 12.630 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -9.294 -27.558 11.718 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -2.575 -26.076 11.391 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -3.188 -25.328 11.465 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.125 -26.857 11.630 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -4.508 -30.543 11.665 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -4.930 -31.373 11.977 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -5.073 -30.255 10.914 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -2.097 -30.808 12.990 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -2.865 -30.677 12.389 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -2.090 -29.996 13.545 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -8.217 -32.659 13.458 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -8.552 -33.543 13.739 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -8.185 -32.141 14.292 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -3.762 -32.475 14.559 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -4.368 -32.748 13.841 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -3.072 -31.957 14.104 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -0.778 -25.413 7.367 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -1.570 -24.820 7.351 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -0.845 -25.879 8.222 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -2.689 -23.507 7.129 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -2.496 -22.773 6.529 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -3.568 -23.291 7.504 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 1.044 -32.023 7.825 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 1.502 -31.210 8.131 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 0.569 -31.744 7.037 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 2.911 -31.466 13.151 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 3.410 -31.672 13.969 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 2.658 -32.347 12.800 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 1.226 -36.929 11.659 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 0.606 -37.661 11.906 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 1.984 -37.035 12.277 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 2.418 -34.045 12.429 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 1.610 -34.115 11.883 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 2.754 -34.967 12.478 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -7.192 -23.050 10.564 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -7.931 -23.148 11.213 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -6.728 -22.226 10.857 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -5.891 -21.069 11.774 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -4.970 -20.737 11.776 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -6.239 -20.797 12.639 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -2.193 -35.943 11.974 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -1.835 -36.133 12.864 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -2.513 -36.798 11.662 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -5.650 -32.866 12.530 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -5.678 -33.646 11.964 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -6.585 -32.750 12.827 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -0.547 -23.723 10.301 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -1.459 -23.376 10.447 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -0.654 -24.690 10.330 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -11.368 -24.854 23.772 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.659 -25.760 23.528 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.385 -24.358 22.917 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.912 -30.583 21.771 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -9.936 -29.892 22.462 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -9.804 -31.419 22.277 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -8.833 -27.987 26.330 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -9.324 -27.133 26.261 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.951 -27.722 26.687 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -9.963 -25.564 26.000 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -10.024 -24.709 26.439 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -10.366 -25.411 25.121 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -8.110 -37.489 24.013 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -7.209 -37.210 23.769 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -8.532 -37.687 23.161 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -11.654 -28.444 20.714 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -11.997 -28.466 19.793 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -11.112 -29.249 20.788 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.498 -23.579 21.388 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.366 -24.291 20.715 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -11.790 -22.814 20.871 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -10.146 -29.197 24.203 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -9.577 -28.691 24.828 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -10.215 -30.072 24.606 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -8.899 -22.702 28.917 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -8.948 -22.362 28.001 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -9.837 -22.771 29.195 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -12.425 -28.344 18.050 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -13.204 -27.889 17.662 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -11.826 -28.475 17.289 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -6.817 -24.406 28.554 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -6.135 -23.735 28.428 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -7.615 -23.893 28.800 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -13.289 -19.584 22.514 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -13.990 -19.514 23.165 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -12.542 -20.003 23.007 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -6.377 -37.226 29.449 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -6.524 -38.191 29.426 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -7.278 -36.844 29.381 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.946 -35.087 14.558 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.649 -35.237 15.216 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.556 -35.971 14.421 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -7.926 -31.146 15.730 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -6.998 -31.352 15.978 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.391 -31.093 16.576 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -6.338 -31.086 31.017 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -6.094 -30.666 31.866 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -7.315 -31.127 31.044 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.848 -34.142 18.553 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.306 -33.447 19.045 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -8.962 -33.762 18.373 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -11.351 -30.945 17.990 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.053 -30.352 18.305 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -11.172 -30.631 17.076 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -13.181 -29.484 13.969 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -12.815 -29.525 13.059 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -14.004 -28.967 13.872 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -1.345 -18.464 25.200 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -2.135 -18.673 24.639 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -0.626 -18.987 24.794 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -9.801 -32.842 23.402 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -10.538 -33.455 23.469 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -9.044 -33.337 23.794 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.115 -34.677 24.507 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -8.287 -35.635 24.502 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -7.221 -34.596 24.903 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -5.432 -31.824 16.614 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -4.868 -32.123 15.858 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -4.823 -31.344 17.183 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -6.631 -26.895 27.468 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -6.789 -26.011 27.871 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -5.656 -26.983 27.467 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -8.823 -29.050 14.243 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.395 -29.745 14.785 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -8.399 -28.211 14.550 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -12.116 -27.443 23.224 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -12.061 -27.706 22.278 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.479 -28.039 23.671 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -10.328 -29.026 30.692 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.596 -28.112 30.577 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.073 -29.317 29.787 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -10.367 -21.972 18.571 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -9.723 -22.404 19.169 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.084 -21.671 19.170 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.142 -25.646 19.631 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -10.851 -25.705 18.696 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -11.250 -26.570 19.904 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -8.909 -21.803 26.311 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -8.461 -21.674 25.464 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -9.784 -22.186 26.064 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -12.246 -20.883 20.225 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -12.789 -20.802 21.029 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -12.165 -19.960 19.907 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -4.718 -19.489 27.199 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -3.808 -19.718 27.459 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -5.267 -20.213 27.575 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.352 -23.221 16.102 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.410 -22.799 16.989 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -9.643 -22.728 15.651 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -10.006 -25.810 17.053 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -9.187 -26.178 16.683 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -10.005 -24.876 16.760 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -14.200 -27.160 16.254 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -14.694 -27.603 15.541 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -13.741 -26.438 15.807 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -7.249 -33.177 18.297 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -6.571 -32.821 17.688 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -7.644 -32.377 18.715 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.970 -31.261 19.215 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -9.821 -31.106 18.747 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -9.148 -30.967 20.135 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -6.479 -33.630 28.320 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -7.415 -33.638 28.594 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -5.986 -33.698 29.160 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -7.569 -35.729 19.273 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.525 -35.631 19.117 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -7.200 -34.853 19.026 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -13.499 -21.077 15.591 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -14.225 -20.730 16.114 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.699 -20.647 15.972 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -15.315 -27.754 13.711 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -14.792 -26.929 13.563 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -16.123 -27.614 13.212 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -8.889 -23.436 12.677 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.165 -24.278 13.104 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -8.608 -22.869 13.428 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.571 -21.380 27.983 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -7.209 -21.380 27.249 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.102 -21.622 28.757 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -13.763 -25.571 13.421 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -13.498 -24.786 13.949 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -13.225 -25.503 12.618 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -12.628 -22.917 31.659 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -12.800 -21.982 31.925 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -12.787 -23.421 32.460 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.794 -29.402 11.608 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.387 -28.512 11.595 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.034 -30.006 11.701 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -9.793 -25.638 14.015 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -10.425 -25.590 14.747 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -8.996 -26.079 14.412 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.070 -33.451 29.310 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.702 -33.059 28.699 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.005 -32.793 30.042 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -9.404 -29.869 28.264 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -8.528 -30.239 28.430 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -9.258 -29.218 27.542 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.891 -36.205 29.891 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -9.011 -35.272 29.617 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.879 -36.166 30.864 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -8.456 -32.344 33.664 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -8.040 -33.161 33.996 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.082 -32.089 34.372 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -5.375 -33.612 30.865 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -5.760 -32.710 30.963 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -4.406 -33.447 30.766 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -8.262 -36.550 32.641 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.340 -36.343 32.377 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.337 -37.516 32.501 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -11.354 -20.011 16.887 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -10.889 -19.198 17.101 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -10.937 -20.685 17.462 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -1.264 -36.117 14.611 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -0.291 -35.994 14.678 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -1.631 -35.272 14.902 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -15.028 -25.072 26.479 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -15.438 -25.800 26.953 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -14.825 -25.449 25.588 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -11.617 -22.647 29.166 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -11.974 -22.800 30.077 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.344 -22.925 28.575 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -3.778 -17.428 28.991 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -4.570 -17.528 28.441 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -3.115 -18.012 28.558 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -14.444 -26.214 24.079 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -13.663 -26.771 23.868 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -14.663 -25.792 23.243 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -13.571 -22.920 27.164 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -14.263 -22.272 27.338 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -14.066 -23.742 26.921 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -11.296 -22.894 25.645 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -11.430 -23.619 24.987 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.109 -22.920 26.199 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.870 -39.724 20.013 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.439 -38.982 20.493 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.198 -40.443 20.034 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -10.891 -35.634 16.532 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.501 -35.156 17.302 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -11.742 -35.203 16.393 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -7.934 -22.167 14.969 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -7.177 -21.557 14.945 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -7.724 -22.783 15.704 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -7.243 -40.980 33.536 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.299 -41.036 33.285 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -7.605 -40.280 32.959 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -6.877 -29.095 35.435 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -6.139 -28.752 35.986 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -6.434 -29.509 34.670 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.047 -23.785 37.271 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.718 -23.113 37.433 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -1.504 -23.411 36.544 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -0.873 -33.393 40.962 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -1.389 -33.332 40.138 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -1.517 -33.162 41.668 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -5.097 -36.213 34.574 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -4.728 -35.296 34.592 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -5.302 -36.369 33.622 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -2.066 -33.494 45.613 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -2.481 -33.197 46.426 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.922 -34.452 45.751 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -4.869 -27.908 36.925 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -4.671 -27.013 36.574 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -4.326 -27.969 37.735 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -2.059 -33.166 38.429 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -1.413 -33.571 37.822 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -2.023 -32.211 38.220 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.997 -35.116 42.281 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -4.167 -34.935 41.335 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.520 -34.317 42.593 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -4.220 -25.364 36.166 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -3.437 -25.091 36.678 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -4.253 -24.725 35.424 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -9.410 -29.107 36.180 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -9.826 -29.953 35.916 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -8.520 -29.131 35.745 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -5.931 -17.954 33.041 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -6.525 -17.406 33.558 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.758 -18.735 33.620 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -5.434 -20.065 34.654 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.527 -20.379 34.828 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -5.973 -20.884 34.638 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -7.607 -34.834 34.730 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -6.794 -35.362 34.827 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -8.138 -35.336 34.076 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -7.721 -29.553 38.351 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -7.348 -28.699 38.600 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -8.339 -29.339 37.620 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -5.419 -31.150 38.045 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -5.824 -31.925 37.602 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -6.146 -30.497 38.093 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -10.242 -31.718 35.682 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -9.863 -31.899 36.578 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -11.104 -32.143 35.700 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -2.610 -32.841 43.020 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -2.356 -32.981 43.960 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -2.933 -31.914 42.995 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -7.148 -24.824 35.619 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -6.389 -25.333 35.938 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -7.927 -25.373 35.866 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -6.799 -22.465 34.391 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -6.991 -23.272 34.933 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -7.510 -22.445 33.742 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.702 -24.148 33.516 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -1.634 -25.005 33.040 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.667 -23.997 33.599 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -11.607 -18.873 30.743 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -10.918 -18.208 30.820 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -11.422 -19.312 29.881 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -13.103 -20.366 32.455 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -12.541 -19.826 31.848 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -13.752 -19.743 32.789 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -9.015 -32.022 38.053 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -8.622 -31.200 38.405 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -8.245 -32.595 37.870 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -6.803 -33.384 37.008 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -6.274 -34.149 37.322 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -7.192 -33.697 36.167 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.740 -31.676 40.640 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -4.984 -31.359 39.748 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -4.625 -32.638 40.524 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -10.954 -20.091 28.395 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -11.167 -21.011 28.657 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -10.599 -20.174 27.503 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -9.299 -26.367 36.356 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -10.148 -26.138 36.741 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -9.343 -27.342 36.238 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -9.058 -31.426 31.195 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -9.582 -30.597 31.264 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -8.936 -31.717 32.131 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 0.420 -24.590 38.483 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 0.227 -25.478 38.851 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -0.444 -24.286 38.141 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.646 -30.279 42.648 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.750 -29.372 42.356 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -4.098 -30.810 41.947 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -4.181 -23.310 34.280 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -3.726 -22.451 34.410 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -5.126 -23.067 34.190 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -1.891 -36.231 45.885 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.752 -36.275 45.401 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -1.867 -37.050 46.392 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -4.298 -34.221 39.636 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -4.730 -34.728 38.921 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.485 -33.862 39.217 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -5.293 -35.703 37.415 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -5.110 -36.568 37.848 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -5.173 -35.886 36.466 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -5.695 -36.116 31.852 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -5.579 -35.173 31.584 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -5.757 -36.599 30.995 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -0.549 -22.549 35.335 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 0.413 -22.509 35.256 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -0.831 -23.138 34.591 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -6.380 -17.552 16.880 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -6.508 -18.249 16.223 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -6.728 -17.940 17.718 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -1.895 -19.972 14.638 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -2.414 -19.893 15.461 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -0.978 -20.118 14.944 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.390 -20.197 14.445 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -4.858 -20.033 15.248 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -4.759 -20.050 13.711 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -0.849 -13.445 20.313 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -0.015 -13.078 20.676 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -1.530 -13.176 20.961 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -4.983 -13.059 23.994 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -5.124 -13.881 24.519 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -5.703 -13.082 23.323 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -3.282 -15.460 20.672 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -3.074 -14.650 21.189 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -2.443 -15.680 20.224 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -0.885 -13.651 26.827 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -0.752 -14.517 26.384 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -1.613 -13.227 26.312 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 0.417 -20.130 23.822 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 0.480 -20.855 24.450 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.393 -20.347 23.286 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -9.006 -21.408 22.450 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.970 -22.157 21.819 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -8.089 -21.059 22.463 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -0.934 -12.050 29.042 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -0.924 -12.706 28.302 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -0.121 -11.543 28.915 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.817 -19.984 16.761 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -3.751 -19.532 17.627 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -4.163 -20.876 16.982 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -9.381 -19.290 20.747 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -10.311 -19.025 20.600 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -9.438 -20.011 21.403 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -5.617 -18.588 24.797 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -4.836 -18.814 24.256 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -5.386 -18.912 25.693 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -2.786 -12.248 25.510 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -3.058 -11.649 26.239 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -3.620 -12.441 25.034 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.734 -13.729 22.021 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.440 -14.365 22.263 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.465 -14.007 21.131 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.466 -15.899 22.048 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.042 -16.008 21.266 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -8.412 -16.783 22.429 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -6.059 -17.830 21.647 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -5.487 -17.348 22.286 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -6.298 -18.654 22.121 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -11.810 -18.153 20.188 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -11.346 -17.313 19.989 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -12.365 -17.946 20.956 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.956 -16.532 17.647 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -4.772 -16.897 17.240 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -4.091 -15.579 17.629 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -5.180 -15.596 25.027 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.650 -15.905 24.259 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -5.606 -16.399 25.352 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -5.975 -15.492 19.978 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -5.008 -15.504 20.152 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -6.341 -16.108 20.639 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -7.339 -18.394 19.287 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -8.067 -18.893 19.725 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -6.784 -18.083 20.033 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -0.238 -15.948 25.351 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 0.156 -15.917 24.465 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -0.799 -16.758 25.337 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -11.314 -20.885 23.778 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -10.494 -21.090 23.279 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -11.353 -21.577 24.467 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.860 -16.138 30.523 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.527 -16.304 29.824 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.165 -16.684 31.272 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.191 -13.609 31.295 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -1.441 -14.523 31.024 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -1.170 -13.108 30.452 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -2.758 -13.260 22.357 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -3.662 -13.204 22.737 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -2.186 -12.954 23.075 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -3.190 -10.839 27.830 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -2.483 -11.229 28.379 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -3.669 -10.265 28.434 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -1.321 -19.726 20.228 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -1.507 -20.201 21.077 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -2.195 -19.380 19.953 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 0.149 -17.846 29.210 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -0.300 -17.098 29.646 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 0.816 -17.418 28.627 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 0.653 -19.668 18.300 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 0.334 -19.746 17.388 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.162 -19.679 18.846 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -3.915 -16.736 22.959 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -3.534 -17.640 23.078 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -3.526 -16.416 22.122 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -9.679 -16.441 19.602 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -9.127 -17.232 19.500 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -9.291 -15.800 18.967 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -3.732 -18.694 19.283 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -3.673 -17.866 18.749 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -4.292 -18.451 20.033 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -7.810 -15.389 17.897 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -7.169 -15.245 18.623 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -7.359 -16.018 17.306 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -1.938 -19.041 27.814 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.100 -18.817 28.267 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -1.760 -18.841 26.868 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -0.101 -11.633 34.328 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 0.216 -11.500 35.228 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 0.370 -12.439 34.022 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.145 -13.533 33.881 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -1.955 -13.572 32.924 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -1.739 -12.700 34.168 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -1.888 -18.592 33.818 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -1.810 -17.711 34.256 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -2.489 -18.428 33.060 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.771 -20.978 34.825 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -1.930 -21.437 35.026 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.484 -20.100 34.473 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 0.352 -20.189 37.820 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -0.607 -20.217 37.901 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 0.548 -19.248 37.622 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -3.568 -18.083 31.691 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -4.426 -18.008 32.173 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -3.812 -17.953 30.751 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 1.019 -40.890 10.995 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 1.891 -40.838 10.550 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 0.478 -41.436 10.393 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 3.578 -40.985 9.984 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 4.036 -40.119 10.036 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 4.282 -41.636 10.154 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 15.804 -44.894 8.360 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 14.950 -44.943 8.839 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 15.682 -45.465 7.598 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 11.292 -46.002 11.030 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 10.694 -46.623 10.602 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 10.704 -45.462 11.611 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -0.144 -42.419 8.950 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -0.082 -43.202 8.391 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 0.430 -41.754 8.494 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 10.358 -42.149 13.197 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 10.227 -41.655 12.373 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 10.099 -43.070 12.973 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 13.571 -44.916 9.965 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 14.143 -45.150 10.731 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 12.681 -45.236 10.227 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 5.879 -42.564 11.158 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 6.375 -41.920 10.602 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 5.557 -42.025 11.909 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 14.931 -39.555 14.174 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 14.153 -40.152 14.139 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 14.881 -39.050 13.331 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.772 -40.811 7.920 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 2.500 -40.994 8.545 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 2.034 -39.964 7.495 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 4.748 -38.472 10.339 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 4.851 -38.279 11.308 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 4.008 -37.885 10.057 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 12.893 -41.313 13.641 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 12.903 -40.956 12.726 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 11.977 -41.655 13.751 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 10.790 -46.420 14.626 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 10.812 -46.848 15.494 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 11.603 -46.746 14.175 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 14.876 -38.145 11.758 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 15.740 -38.053 11.296 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 14.434 -37.286 11.596 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 14.893 -43.250 13.814 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 14.108 -42.663 13.759 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 15.649 -42.631 13.875 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -0.496 -38.935 12.172 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -1.428 -39.240 12.114 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 0.024 -39.692 11.823 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 3.063 -38.460 7.337 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 4.029 -38.490 7.198 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 2.941 -37.779 8.028 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 8.064 -40.366 13.369 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 8.610 -41.052 13.787 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 8.638 -40.003 12.671 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 10.365 -39.590 11.754 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 10.414 -38.690 12.156 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 11.291 -39.775 11.471 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 2.811 -36.739 9.471 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 2.606 -35.816 9.201 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 2.165 -36.924 10.187 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 6.188 -36.747 8.669 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 5.750 -37.311 9.334 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 6.069 -37.236 7.831 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 14.263 -42.192 10.127 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 13.919 -43.093 9.980 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 15.230 -42.284 10.019 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 12.973 -40.075 11.199 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 13.643 -39.360 11.251 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 13.428 -40.794 10.692 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 16.903 -41.417 14.262 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 16.247 -40.684 14.264 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 17.564 -41.143 13.579 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 9.319 -46.083 28.971 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 9.868 -46.805 28.601 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 8.917 -46.474 29.776 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 3.988 -47.770 21.595 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 4.710 -47.544 20.975 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 4.447 -48.221 22.334 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 3.300 -44.315 24.792 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 3.146 -44.680 23.883 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 2.418 -44.358 25.217 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 1.586 -45.628 19.107 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 1.023 -45.493 18.323 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 1.896 -44.730 19.341 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 1.190 -47.680 20.820 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 2.073 -47.869 21.194 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 1.355 -46.943 20.183 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 11.374 -50.179 26.439 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 11.095 -50.987 26.919 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 11.101 -50.336 25.532 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 6.021 -48.698 23.309 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 6.454 -49.439 23.775 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 6.767 -48.173 22.960 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 1.107 -43.232 14.715 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 1.798 -43.897 14.640 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 1.462 -42.459 14.210 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.304 -46.237 17.840 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 11.072 -45.670 18.609 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 11.277 -47.147 18.201 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 20.600 -46.413 25.650 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 20.464 -46.873 24.796 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 21.545 -46.566 25.855 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.823 -44.828 20.191 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 10.645 -45.367 20.974 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 11.315 -44.049 20.546 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 11.506 -44.332 29.850 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 11.209 -45.174 29.481 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 12.433 -44.247 29.545 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 7.596 -44.631 24.020 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 8.514 -44.936 24.150 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 7.409 -44.830 23.091 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 5.657 -42.909 24.901 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 6.286 -43.557 24.505 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 4.785 -43.363 24.858 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 11.078 -48.683 19.085 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 10.939 -49.616 18.898 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 10.275 -48.417 19.593 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 4.926 -45.479 26.629 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 4.296 -45.939 27.231 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 4.348 -45.069 25.947 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 6.249 -46.877 20.196 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 6.243 -45.991 20.636 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 6.089 -46.679 19.269 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 16.349 -48.012 27.703 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 16.330 -47.700 26.771 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 17.210 -48.485 27.778 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 12.985 -46.905 13.042 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 12.468 -46.674 12.247 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 13.885 -46.584 12.842 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 6.208 -47.833 26.004 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 5.940 -47.979 25.078 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.816 -46.964 26.232 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 8.802 -48.090 20.495 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 7.908 -47.760 20.278 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 8.837 -48.048 21.475 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 11.149 -50.699 29.998 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 10.365 -50.310 30.444 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 11.769 -49.963 29.927 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 10.311 -45.615 23.942 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.130 -45.893 24.408 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 10.569 -44.771 23.490 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 5.044 -51.464 27.232 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 4.693 -52.257 26.819 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 6.016 -51.602 27.229 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 11.157 -48.057 28.139 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 11.315 -48.748 27.454 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 12.052 -47.878 28.505 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 8.669 -47.723 23.198 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 9.257 -46.995 23.504 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 8.678 -48.359 23.933 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 7.775 -49.944 25.068 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 7.410 -49.267 25.674 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 7.788 -50.761 25.604 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 6.130 -44.347 21.132 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 5.486 -43.643 21.338 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 6.998 -43.886 21.137 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 2.877 -45.305 22.334 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 2.663 -44.794 21.532 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 3.235 -46.148 21.995 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -0.721 -42.998 27.966 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -1.557 -43.247 27.514 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.028 -43.267 27.344 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 4.540 -42.110 21.940 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 5.015 -41.253 21.839 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 4.527 -42.261 22.897 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 14.342 -43.000 17.365 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 15.140 -43.507 17.140 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 13.618 -43.483 16.903 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 8.659 -43.320 21.273 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 9.341 -43.139 21.955 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.147 -43.785 20.574 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.898 -44.581 12.741 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 6.640 -43.894 12.087 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 6.064 -44.975 13.007 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.538 -43.225 20.304 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 3.252 -42.826 20.846 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 2.086 -42.460 19.906 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 10.645 -52.387 27.923 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 10.738 -51.790 28.705 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 11.185 -53.152 28.147 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 14.052 -48.521 20.717 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 13.170 -48.518 20.317 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 14.620 -48.131 20.043 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 1.298 -40.772 18.913 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 1.859 -40.053 19.258 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 0.477 -40.318 18.639 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 12.592 -44.674 16.075 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.154 -45.216 16.775 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 12.045 -44.823 15.288 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 5.282 -40.718 13.078 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 6.238 -40.777 13.290 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 5.110 -39.748 13.042 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 9.618 -44.755 12.773 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 8.632 -44.739 12.815 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 9.883 -45.346 13.517 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 3.084 -46.822 28.137 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 3.248 -46.708 29.103 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 2.142 -46.650 28.035 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.182 -49.423 28.836 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 3.736 -48.811 28.225 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 4.434 -50.190 28.269 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 12.887 -46.365 24.981 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 13.167 -46.857 25.760 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 13.528 -46.625 24.289 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 15.182 -45.349 12.115 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 16.149 -45.292 12.009 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 14.967 -44.604 12.720 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.317 -47.641 28.861 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.642 -47.842 27.964 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 5.547 -48.231 28.969 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 7.803 -51.885 27.086 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 8.115 -51.049 27.509 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 8.531 -52.507 27.235 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 13.779 -47.836 28.909 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 14.196 -47.218 29.531 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 14.527 -48.179 28.382 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 14.121 -43.940 29.036 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 14.610 -44.736 29.333 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 14.822 -43.319 28.781 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 4.535 -48.967 31.518 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 4.283 -49.258 30.612 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 5.296 -49.541 31.746 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 6.663 -50.602 32.234 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 6.604 -51.509 32.550 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 6.822 -50.070 33.055 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 8.790 -49.595 28.132 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 9.578 -49.048 27.963 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 8.703 -49.588 29.108 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 2.433 -41.352 13.337 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 3.366 -41.119 13.179 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 1.973 -41.084 12.516 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.343 -45.190 15.751 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 15.340 -44.579 14.988 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 14.402 -45.382 15.901 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 15.203 -42.262 21.099 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 14.276 -42.545 21.236 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 15.208 -41.322 21.385 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 17.827 -44.218 12.195 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 17.892 -44.253 13.168 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 18.708 -43.894 11.913 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 14.433 -44.987 21.322 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 15.105 -44.327 21.087 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 13.590 -44.556 21.104 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 -1.172 -46.331 21.697 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.368 -46.878 21.583 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -1.225 -46.181 22.668 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 18.229 -44.428 29.730 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 18.968 -44.791 29.184 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 17.738 -43.854 29.116 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 18.645 -48.106 30.590 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 18.439 -48.726 29.873 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 18.380 -48.582 31.405 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 14.747 -47.126 23.017 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 14.547 -47.859 22.395 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 14.683 -46.318 22.455 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 16.488 -47.054 25.130 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 15.880 -47.155 24.362 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 17.365 -47.219 24.759 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 1.068 -45.605 32.001 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 1.833 -46.016 31.552 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 1.462 -45.151 32.781 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.433 -45.465 38.180 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 10.511 -45.402 38.486 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.353 -45.711 37.241 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 8.996 -44.056 43.070 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 8.110 -44.219 43.461 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 9.053 -44.686 42.342 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 13.864 -45.579 42.840 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 14.764 -45.876 43.076 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 13.313 -46.372 42.962 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 5.380 -42.403 40.727 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 6.253 -42.116 41.090 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 4.849 -42.607 41.522 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 2.583 -47.567 39.672 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 2.869 -46.627 39.665 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 3.307 -48.035 39.247 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 8.492 -45.341 38.509 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 8.096 -44.868 37.752 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 7.833 -45.231 39.229 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 13.320 -42.945 43.566 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 13.522 -43.834 43.198 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 14.020 -42.365 43.196 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 6.420 -44.379 43.897 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 5.633 -43.885 43.561 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 6.153 -45.302 43.848 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 4.143 -43.175 43.091 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 3.292 -43.572 42.803 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 3.880 -42.368 43.569 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 3.114 -40.890 36.826 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 3.408 -40.964 35.893 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 2.915 -39.947 36.930 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.806 -42.630 45.866 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.295 -41.784 45.870 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 14.184 -42.545 45.109 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 8.504 -46.751 34.676 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 8.111 -46.931 35.559 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 9.460 -46.630 34.864 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 8.799 -49.493 30.871 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 8.609 -48.550 31.065 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 8.065 -49.977 31.308 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 18.438 -49.004 41.377 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 17.504 -48.898 41.106 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 18.933 -48.953 40.540 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 13.938 -45.909 39.433 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 13.607 -46.723 39.861 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 13.160 -45.572 38.939 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 4.748 -46.480 36.518 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 3.839 -46.153 36.701 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 4.654 -46.983 35.675 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 7.735 -41.902 41.875 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 8.448 -41.409 41.404 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 8.217 -42.515 42.458 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 7.108 -41.911 45.098 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 6.213 -41.521 44.964 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 7.005 -42.841 44.822 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 11.107 -46.169 35.410 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.015 -46.518 35.576 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 11.216 -45.589 34.648 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 4.708 -40.668 44.812 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 3.927 -40.512 44.239 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 4.533 -40.117 45.609 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 0.666 -41.769 41.443 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 -0.145 -41.393 41.818 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 0.509 -41.751 40.468 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 14.012 -45.066 47.010 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 14.179 -44.159 46.679 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 13.079 -45.070 47.228 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 9.145 -40.076 44.742 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 9.889 -40.580 44.330 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 8.414 -40.731 44.784 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 2.608 -40.571 43.033 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 2.361 -39.658 42.778 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 1.997 -41.131 42.515 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 15.884 -45.978 29.511 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 16.148 -46.761 28.980 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 16.734 -45.616 29.839 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 13.759 -46.594 35.720 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 14.548 -46.242 36.154 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 13.984 -46.576 34.762 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 7.132 -49.120 34.400 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 7.708 -48.341 34.253 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 6.684 -48.925 35.235 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 17.493 -35.646 49.156 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 16.687 -35.981 49.567 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 17.170 -35.153 48.365 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 7.296 -47.369 37.042 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 7.757 -46.797 37.690 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 6.376 -47.031 37.035 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 16.457 -46.201 43.394 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 16.435 -45.694 44.238 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 16.998 -46.993 43.606 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 14.511 -46.238 33.111 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 15.410 -46.569 33.350 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 14.643 -45.779 32.277 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 6.250 -44.970 40.086 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 6.079 -44.026 40.266 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 5.384 -45.314 39.814 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 10.741 -41.974 43.688 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 11.668 -42.297 43.668 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 10.207 -42.771 43.509 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 16.966 -47.021 33.882 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 17.430 -47.841 33.614 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 17.665 -46.474 34.288 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 17.897 -48.489 43.980 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 18.241 -48.711 43.079 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 18.560 -48.846 44.580 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 5.057 -42.522 37.986 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 5.079 -42.382 38.956 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 4.426 -41.852 37.661 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 3.426 -46.576 30.817 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 3.793 -45.949 31.480 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 3.796 -47.447 31.083 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.518 -44.357 36.689 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 5.990 -43.651 37.141 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 5.873 -45.079 36.545 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 12.743 -48.122 43.316 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 13.642 -48.531 43.387 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 12.326 -48.321 44.160 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 8.881 -37.372 45.057 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 9.198 -37.127 45.948 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 9.168 -38.305 44.950 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 3.711 -37.609 43.931 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 3.012 -37.725 43.257 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 3.221 -37.418 44.753 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 7.875 -42.854 34.829 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 8.159 -42.046 35.297 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 7.417 -43.380 35.518 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 13.076 -48.239 40.600 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 12.345 -48.750 40.231 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 12.856 -48.161 41.556 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 4.428 -47.641 34.073 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 4.435 -48.287 33.344 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 4.311 -46.782 33.626 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 7.766 -46.922 31.060 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 7.329 -46.309 31.679 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 7.076 -47.116 30.381 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 6.947 -44.989 33.251 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 7.256 -44.141 33.637 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 7.478 -45.670 33.723 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 4.213 -45.119 32.949 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 3.728 -44.497 33.522 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 5.163 -44.902 33.104 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 15.139 -38.252 45.148 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 15.406 -37.330 45.242 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 14.812 -38.312 44.220 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 16.390 -45.593 40.739 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 15.478 -45.446 40.407 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 16.278 -45.702 41.709 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 15.280 -41.013 43.260 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 14.929 -40.131 43.010 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 15.921 -40.822 43.968 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 18.317 -51.894 33.857 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 19.061 -52.502 33.909 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.559 -52.419 34.128 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 15.255 -49.091 43.221 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 15.532 -49.005 42.288 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 16.083 -48.985 43.725 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 3.337 -44.913 39.769 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 3.053 -44.238 39.116 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 2.930 -44.616 40.607 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 15.892 -48.351 40.613 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 14.933 -48.382 40.416 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 16.130 -47.408 40.499 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 4.314 -38.746 46.735 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 3.442 -38.306 46.685 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 4.951 -38.038 46.512 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 5.932 -36.637 46.077 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 6.116 -36.449 47.019 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 6.229 -35.825 45.611 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 9.643 -36.864 47.781 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 10.400 -36.690 48.383 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 9.049 -37.436 48.306 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 1.617 -38.108 42.211 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 1.424 -37.712 41.339 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 1.059 -37.597 42.834 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 13.310 -36.003 43.431 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 14.235 -35.773 43.623 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.369 -36.905 43.054 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 16.681 -40.382 45.638 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 16.016 -39.654 45.553 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 17.454 -39.943 46.057 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 2.296 -29.649 8.476 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 1.916 -29.209 7.678 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 2.961 -29.006 8.803 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 0.562 -23.043 7.814 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 0.195 -23.036 8.722 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 0.339 -23.934 7.478 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 10.697 -21.565 5.747 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 10.911 -22.518 5.872 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 11.570 -21.152 5.545 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 14.277 -32.851 10.383 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 14.540 -31.984 9.992 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 13.440 -32.652 10.850 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 8.229 -39.675 7.189 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 8.548 -39.224 8.003 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 8.791 -40.451 7.116 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 7.648 -28.876 9.230 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 7.110 -28.191 9.683 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 7.017 -29.601 9.062 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 3.707 -27.714 9.724 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 3.277 -26.847 9.557 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 4.636 -27.482 9.945 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 11.600 -24.078 6.295 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 12.519 -24.162 5.956 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 11.670 -24.328 7.227 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 16.711 -33.632 9.132 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 16.948 -32.741 8.855 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.847 -33.521 9.576 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 13.130 -20.459 5.396 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 13.211 -19.929 6.219 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 13.958 -20.967 5.361 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 11.546 -28.086 9.984 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 11.016 -27.644 9.290 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 11.033 -28.895 10.194 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.135 -25.871 6.945 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 3.389 -25.021 6.530 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 2.808 -25.617 7.829 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 1.664 -28.103 6.354 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 1.070 -27.684 5.707 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 2.337 -27.410 6.538 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 8.495 -21.382 7.384 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 7.984 -22.224 7.309 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 9.293 -21.537 6.831 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 6.193 -27.058 10.711 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 6.026 -27.613 11.493 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 6.536 -26.217 11.077 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 7.119 -23.691 6.855 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 7.763 -24.295 6.407 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 6.257 -23.966 6.512 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 5.210 -23.993 13.457 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 5.418 -24.026 12.509 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 4.309 -23.650 13.489 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 -0.650 -29.284 9.947 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 -1.579 -29.168 9.654 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 -0.615 -30.204 10.274 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 7.067 -24.420 11.234 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 6.323 -23.879 10.876 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 7.591 -23.792 11.752 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 10.542 -19.359 2.109 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 11.180 -18.706 1.734 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 10.928 -20.216 1.888 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 7.021 -19.747 5.810 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 7.775 -19.538 5.220 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 7.396 -20.397 6.447 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.744 -38.710 6.730 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 5.545 -39.053 5.852 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 6.633 -39.088 6.939 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 10.172 -36.991 12.591 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 10.344 -36.073 12.319 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 9.245 -36.981 12.896 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 12.034 -31.888 11.777 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 12.630 -31.417 12.409 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 11.466 -31.185 11.417 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 8.647 -35.959 9.719 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 8.303 -35.540 10.532 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 7.852 -36.070 9.155 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 6.510 -31.423 13.266 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 5.793 -31.662 13.871 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 7.284 -31.929 13.604 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 7.388 -34.998 12.012 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.546 -34.641 12.379 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 7.506 -35.851 12.483 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 9.795 -30.194 10.496 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 9.113 -29.656 10.043 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 9.346 -31.043 10.674 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 11.700 -35.744 9.985 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 10.983 -36.033 9.407 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 11.263 -35.141 10.618 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 17.045 -28.931 10.194 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 17.134 -28.025 9.869 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 17.574 -28.941 11.022 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 9.610 -27.154 8.108 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 9.293 -26.317 8.522 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 8.916 -27.808 8.329 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 1.305 -23.998 4.235 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 0.873 -24.812 4.575 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 1.669 -24.264 3.383 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 5.473 -30.839 9.204 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 5.343 -31.808 9.338 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 4.941 -30.638 8.425 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 3.578 -23.407 5.794 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 2.773 -23.451 5.242 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 3.894 -22.487 5.685 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 8.578 -24.846 9.013 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 7.995 -24.402 8.372 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 8.103 -24.765 9.864 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 8.064 -18.357 1.255 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 8.865 -18.776 1.619 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 8.082 -18.593 0.306 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 9.117 -25.303 6.010 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 9.280 -26.097 6.555 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 9.989 -24.866 5.961 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 5.081 -34.376 13.238 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 4.394 -33.801 12.870 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 4.665 -35.266 13.251 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 -0.491 -21.866 5.578 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 -0.200 -22.242 6.436 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 -0.004 -22.383 4.917 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 10.392 -34.094 11.753 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 11.074 -33.397 11.895 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 9.628 -33.605 11.391 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 8.152 -32.453 11.139 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 7.724 -33.329 11.179 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 7.600 -31.894 11.718 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 14.189 -35.528 11.008 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 14.282 -34.575 10.799 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 13.316 -35.770 10.616 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 14.262 -24.133 5.603 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 14.691 -24.462 4.807 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 14.697 -23.266 5.770 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 0.713 -20.420 15.544 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 1.335 -20.170 14.847 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 1.163 -21.132 16.019 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 16.289 -26.554 12.112 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 15.800 -25.736 12.323 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 16.929 -26.652 12.855 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 8.954 -38.663 9.595 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 8.944 -37.682 9.681 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 9.524 -38.961 10.335 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 5.067 -29.592 11.616 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 5.256 -30.014 10.751 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 5.496 -30.181 12.266 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 13.478 -28.021 11.996 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 12.941 -28.013 11.175 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 14.331 -27.643 11.730 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 6.790 -40.310 9.970 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 7.606 -39.801 9.793 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 6.097 -39.626 10.050 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 7.548 -37.373 13.373 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.856 -38.160 13.851 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.594 -37.570 13.182 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 15.552 -21.754 6.114 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 16.210 -21.102 5.820 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 15.697 -21.816 7.081 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 16.360 -22.113 8.771 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 17.017 -22.454 9.410 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 15.691 -22.836 8.711 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 16.881 -25.809 9.577 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 17.332 -24.970 9.783 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 16.630 -26.168 10.458 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 14.873 -24.356 8.368 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 14.643 -24.571 7.448 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 15.462 -25.087 8.648 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 -0.013 -26.347 4.967 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 -0.828 -26.733 4.629 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 -0.252 -26.034 5.875 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 16.390 -30.123 14.173 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 16.740 -29.894 13.298 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 16.788 -29.446 14.770 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 13.757 -30.426 13.314 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 13.658 -29.532 12.920 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 14.647 -30.408 13.723 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 14.865 -30.386 9.443 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 14.231 -29.678 9.292 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 15.686 -29.919 9.726 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 1.431 -35.444 14.781 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 2.118 -36.000 14.353 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 1.562 -34.568 14.388 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 12.451 -17.703 1.059 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 13.288 -17.867 0.578 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 12.249 -16.778 0.871 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 1.989 -34.153 9.205 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 1.737 -33.435 8.577 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.203 -34.251 9.776 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.834 -22.988 10.753 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 3.873 -23.165 10.817 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 4.888 -22.023 10.624 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 18.701 -35.486 8.738 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 18.005 -34.794 8.809 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 18.995 -35.437 7.804 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 2.218 -20.870 7.609 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 1.774 -21.748 7.630 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 3.040 -21.030 7.105 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.277 -19.092 10.446 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.390 -18.921 11.413 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 8.132 -19.489 10.175 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 0.525 -19.280 6.137 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 0.000 -20.012 5.753 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 1.094 -19.723 6.805 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 4.335 -20.711 5.778 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 5.281 -20.485 5.723 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 3.877 -19.851 5.671 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.118 -18.197 8.069 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 6.348 -18.811 7.353 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.547 -18.579 8.864 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 4.703 -21.174 13.335 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 4.755 -20.547 14.098 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 5.313 -21.887 13.575 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 1.805 -30.031 41.581 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 0.901 -29.862 41.270 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 2.224 -30.502 40.840 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 14.595 -25.830 41.029 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 14.325 -26.168 40.160 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 15.556 -26.050 41.085 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 4.430 -28.992 39.186 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 3.850 -29.753 39.406 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 4.449 -28.984 38.226 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 -2.393 -30.370 37.926 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 -3.340 -30.493 37.715 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 -1.957 -30.252 37.042 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 10.725 -22.812 40.732 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 11.532 -23.008 41.268 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 10.327 -23.692 40.583 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 10.400 -25.608 40.650 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 11.199 -25.862 40.136 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 10.623 -25.858 41.576 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 0.610 -31.535 37.658 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 0.451 -32.465 37.418 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 0.144 -31.020 36.947 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 5.459 -35.188 42.634 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 4.619 -34.951 43.047 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 6.119 -34.638 43.101 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 4.649 -26.420 40.326 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 4.424 -27.202 39.785 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 5.104 -26.798 41.102 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 2.777 -31.229 39.253 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 2.956 -32.147 39.494 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 2.041 -31.292 38.600 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 16.290 -25.055 44.453 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 16.461 -25.033 43.504 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 16.974 -25.653 44.805 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 13.612 -23.833 38.017 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.151 -23.061 38.415 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 14.539 -23.519 37.902 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 12.435 -26.120 38.899 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.860 -25.265 38.667 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 13.112 -26.792 38.665 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 18.175 -26.993 45.070 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 17.514 -27.651 45.335 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 18.511 -27.326 44.205 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 19.107 -28.050 42.730 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 19.478 -27.918 41.830 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 19.728 -28.672 43.159 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 8.844 -25.772 38.404 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 8.027 -25.347 38.744 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 9.400 -25.886 39.205 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 7.241 -22.744 41.704 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 7.815 -23.025 42.423 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 7.334 -23.447 41.035 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 5.858 -28.647 41.668 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 5.596 -28.920 40.772 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 5.322 -29.219 42.257 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.567 -24.681 44.500 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 13.182 -25.348 45.103 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 14.538 -24.771 44.628 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 12.808 -22.089 33.966 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 12.666 -21.539 34.768 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 13.721 -22.426 34.068 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 4.052 -22.484 35.371 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 4.761 -22.248 35.988 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 3.261 -22.578 35.944 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 6.353 -31.930 43.837 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 6.837 -31.109 44.062 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 5.499 -31.612 43.489 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 11.346 -34.356 44.418 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 12.110 -34.895 44.108 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.606 -34.974 44.416 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 4.149 -30.315 43.063 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 4.095 -30.066 44.011 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 3.230 -30.205 42.732 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 14.267 -28.111 42.614 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 14.312 -27.191 42.291 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 14.142 -28.637 41.810 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 12.435 -26.927 45.740 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 13.249 -27.464 45.635 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 11.963 -27.351 46.487 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 -0.223 -29.669 39.614 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 -1.142 -29.970 39.503 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 0.278 -30.218 38.982 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 8.401 -27.988 48.183 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 8.439 -28.086 47.222 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 7.936 -28.793 48.485 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 11.408 -26.195 43.143 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 12.066 -25.482 43.131 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 11.544 -26.625 44.008 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 18.313 -30.447 46.364 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 18.154 -30.395 47.323 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 17.516 -30.912 46.017 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 6.666 -24.614 39.634 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.007 -25.302 39.871 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 6.129 -23.809 39.498 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 4.981 -22.433 40.056 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 4.177 -22.935 40.322 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 5.494 -22.338 40.883 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 4.901 -18.325 38.215 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 4.909 -19.293 38.042 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 4.183 -18.211 38.880 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 12.931 -23.811 42.010 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 13.168 -23.892 42.961 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 13.553 -24.421 41.558 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 0.477 -36.456 44.234 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 -0.406 -36.256 44.606 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 0.609 -35.766 43.540 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 13.769 -24.897 35.447 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 13.966 -24.437 36.279 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 14.594 -25.378 35.243 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 9.143 -32.016 46.921 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 8.848 -32.944 47.044 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 10.093 -32.098 46.664 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 1.952 -22.398 37.220 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 1.352 -21.648 37.436 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 1.549 -23.165 37.679 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 14.683 -28.453 45.273 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 14.547 -29.422 45.376 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 14.580 -28.299 44.304 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 7.257 -29.364 44.296 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 8.130 -29.269 44.745 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 7.328 -28.797 43.511 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 11.137 -28.331 47.839 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 11.472 -28.964 48.510 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 10.278 -28.029 48.204 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 4.883 -29.577 45.649 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 5.733 -29.462 45.172 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 5.145 -29.711 46.565 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 6.894 -34.350 44.897 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 7.491 -34.265 45.669 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 6.767 -33.421 44.587 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 9.453 -29.404 45.893 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 9.405 -30.347 46.155 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 10.224 -29.059 46.387 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 13.055 -32.878 50.200 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 12.669 -33.015 51.082 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 13.904 -32.415 50.381 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 12.213 -30.242 49.550 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 12.241 -31.217 49.566 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 13.024 -29.988 49.054 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 7.431 -30.550 48.491 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 8.005 -31.000 47.832 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 7.557 -31.056 49.296 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 11.711 -32.097 46.012 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 11.693 -32.886 45.428 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.633 -31.767 45.943 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 11.509 -36.349 49.775 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 12.282 -36.776 50.156 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 11.180 -35.764 50.495 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 7.951 -40.328 47.237 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.643 -40.109 46.587 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 7.446 -41.045 46.809 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 6.346 -36.180 48.748 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 5.577 -36.271 49.323 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 6.885 -36.985 48.937 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 3.210 -17.902 36.023 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 3.909 -18.049 36.695 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 3.409 -17.005 35.663 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 2.474 -18.346 39.513 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 1.836 -17.891 38.932 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 2.011 -19.142 39.795 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 14.610 -27.703 38.634 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 14.427 -28.488 39.183 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 15.417 -27.945 38.130 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 16.955 -28.387 37.271 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 17.086 -29.142 36.640 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 17.854 -28.194 37.594 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 17.148 -26.678 41.300 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 17.509 -27.230 42.016 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 17.845 -26.693 40.621 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 -0.369 -26.923 39.872 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 -0.168 -27.882 39.779 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 -0.266 -26.751 40.815 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 14.341 -29.605 47.975 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 14.241 -30.232 47.213 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 14.454 -28.740 47.552 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 18.920 -33.027 45.563 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 17.946 -33.053 45.487 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 19.107 -32.116 45.844 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 21.099 -34.973 51.178 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 21.966 -34.536 51.129 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 21.191 -35.741 50.605 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 -2.958 -27.855 38.964 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 -2.610 -28.717 38.670 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 -2.165 -27.346 39.206 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.173 -34.590 47.045 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 16.113 -33.722 46.582 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 15.280 -34.711 47.445 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 15.535 -22.532 34.398 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.626 -21.618 34.753 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.246 -22.609 33.750 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 0.999 -35.040 41.965 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 1.057 -35.574 41.154 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 0.393 -34.301 41.719 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 16.088 -35.956 43.465 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 16.044 -35.155 42.900 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 16.020 -36.708 42.821 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 2.837 -24.181 40.145 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 2.039 -24.377 39.621 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 3.296 -25.039 40.216 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 4.332 -20.991 37.833 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 3.438 -21.362 37.712 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 4.674 -21.448 38.637 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.154 -37.133 46.238 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.883 -36.548 46.950 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 1.488 -36.971 45.528 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.767 -38.463 49.148 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 7.914 -38.982 49.946 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 7.710 -39.143 48.426 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 13.836 -34.891 48.472 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 13.589 -34.115 49.020 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 13.010 -35.385 48.381 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 8.209 -34.580 47.303 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 7.491 -34.891 47.887 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 8.885 -35.290 47.359 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.632 -33.086 53.015 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 13.508 -33.277 53.372 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 12.617 -32.102 52.933 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 10.863 -34.944 52.073 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 11.508 -34.285 52.418 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 10.167 -34.960 52.736 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 13.056 -30.544 52.211 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 12.581 -30.188 51.435 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 13.970 -30.675 51.890 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 15.317 -31.595 50.961 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 15.796 -32.130 51.635 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 15.978 -31.452 50.253 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 16.479 -33.202 52.833 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 17.161 -33.692 52.311 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 16.857 -33.145 53.714 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 18.436 -34.447 51.451 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 18.202 -34.824 50.579 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 19.416 -34.534 51.492 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.524 -6.390 -17.113 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.196 -7.117 -17.680 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 14.480 -6.589 -16.993 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 2.318 -7.995 -12.013 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 2.809 -8.593 -12.612 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 2.173 -8.535 -11.206 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 13.910 -4.776 -14.812 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.709 -5.434 -15.508 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 14.734 -5.106 -14.399 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 5.926 -4.639 -14.121 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 6.191 -5.566 -13.957 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 5.153 -4.502 -13.527 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 11.507 -0.258 -9.816 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 12.201 -0.730 -10.322 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 11.803 0.675 -9.821 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 11.299 -9.156 -11.167 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 10.732 -8.768 -11.849 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 10.714 -9.802 -10.707 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 2.808 -14.049 -12.350 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 2.020 -14.562 -12.549 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 2.461 -13.154 -12.118 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.877 -8.641 -13.331 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.150 -8.118 -13.728 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.664 -8.432 -13.893 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 18.180 -12.579 -9.562 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 17.933 -11.955 -10.273 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 17.903 -13.454 -9.906 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 11.355 -9.939 -16.639 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 11.911 -9.455 -17.280 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 10.541 -10.164 -17.154 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 5.457 -14.048 -11.856 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 4.482 -14.060 -12.042 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 5.790 -14.835 -12.306 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 6.168 -6.498 -8.782 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 5.314 -6.540 -9.261 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 6.325 -7.421 -8.492 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 13.655 -1.617 -10.880 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 13.397 -2.090 -11.710 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 14.437 -1.090 -11.145 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 13.330 -2.555 -13.358 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 13.372 -3.396 -13.860 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 13.862 -1.933 -13.892 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 13.409 -3.609 -17.396 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 13.499 -3.539 -16.434 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 13.353 -4.570 -17.556 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 15.241 -6.047 -9.262 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 14.652 -6.779 -9.532 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 14.712 -5.547 -8.607 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 8.502 -9.605 -21.483 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 8.999 -8.866 -21.072 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.841 -9.171 -22.028 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 15.228 -10.013 -10.799 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 14.663 -10.225 -11.579 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 16.138 -10.246 -11.092 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 12.381 -8.390 -18.789 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 12.813 -8.889 -19.493 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 11.524 -8.126 -19.175 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 12.017 -7.803 -7.517 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 12.570 -7.631 -8.302 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 11.111 -7.896 -7.875 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 6.338 -7.439 -13.677 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 5.702 -7.852 -14.271 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 6.050 -7.727 -12.780 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 6.107 -3.127 -11.329 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 5.340 -3.389 -11.871 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 5.887 -2.218 -11.028 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 3.963 -11.618 -5.109 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 4.818 -12.088 -5.188 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 3.350 -12.157 -5.620 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 13.911 -1.300 -18.796 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 13.669 -2.122 -18.309 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 14.040 -1.593 -19.701 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 6.191 -9.008 -7.755 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 6.490 -9.024 -6.820 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 5.221 -8.866 -7.695 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 17.102 -3.385 -5.726 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 17.370 -2.538 -6.137 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 16.137 -3.296 -5.600 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 2.541 -9.568 -9.774 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 2.662 -9.053 -8.952 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 3.373 -10.081 -9.855 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 13.249 -10.142 -6.983 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 12.504 -10.780 -7.020 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 12.810 -9.263 -7.069 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.491 -8.315 -11.230 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 4.839 -7.673 -10.878 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 5.255 -9.158 -10.791 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 6.097 -11.449 -12.596 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 5.935 -12.401 -12.423 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 7.063 -11.397 -12.744 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 9.280 -12.022 -20.499 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 9.173 -12.720 -21.148 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 9.015 -11.203 -20.976 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 8.873 -11.420 -6.176 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 9.779 -11.560 -6.534 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 8.302 -11.437 -6.979 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 9.004 -11.351 -12.863 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.770 -11.671 -13.380 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 8.928 -10.406 -13.112 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 2.038 -11.522 -11.756 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 2.554 -10.936 -12.340 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 1.871 -10.981 -10.964 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 9.238 -10.450 -18.289 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 9.349 -11.158 -18.966 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 8.453 -9.974 -18.576 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 11.423 -11.671 -14.465 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 11.631 -12.522 -14.867 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.381 -11.050 -15.228 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 17.260 -0.549 -3.916 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 17.617 -0.777 -4.795 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 16.450 -0.022 -4.118 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 3.562 -8.224 -7.508 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 3.591 -8.453 -6.559 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 3.378 -7.273 -7.515 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 3.734 -10.034 -13.367 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.557 -10.321 -14.270 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.601 -10.440 -13.150 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 9.778 -7.395 -20.353 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 10.015 -6.643 -20.905 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.146 -7.020 -19.695 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 13.491 -8.086 -9.884 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 12.681 -8.426 -10.323 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 14.196 -8.709 -10.172 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 1.593 -5.584 -13.140 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 0.676 -5.625 -13.423 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 1.776 -6.481 -12.784 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 9.518 -8.323 -8.512 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 9.038 -8.220 -9.369 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 9.455 -9.268 -8.321 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 5.565 -4.992 -18.892 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 4.963 -4.591 -19.525 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.219 -4.704 -18.015 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 8.069 -6.077 -18.661 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 7.173 -5.727 -18.879 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 8.229 -5.769 -17.766 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 3.792 -4.133 -12.517 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 2.976 -4.566 -12.864 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 3.576 -3.942 -11.580 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 11.042 -11.626 -7.831 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.508 -12.477 -8.010 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 10.679 -11.371 -8.702 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 8.178 -7.945 -10.805 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 7.199 -7.978 -10.838 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 8.455 -8.234 -11.697 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 15.411 -14.306 -8.235 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 15.198 -13.353 -8.341 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 15.646 -14.393 -7.303 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 11.299 -8.328 -14.426 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 11.308 -8.830 -15.271 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 12.223 -8.319 -14.148 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 15.727 -0.233 -12.119 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 15.359 -0.444 -13.007 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 16.659 -0.058 -12.288 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 2.806 -2.422 -6.553 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 1.954 -2.100 -6.245 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.957 -1.937 -7.394 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 4.935 -10.826 -10.169 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 5.055 -11.657 -9.667 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.339 -11.015 -11.041 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 7.482 -11.287 -8.484 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.852 -12.007 -8.705 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 6.916 -10.481 -8.429 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 5.721 -13.282 -9.192 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 5.648 -13.608 -10.118 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 5.645 -14.080 -8.655 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 10.229 -11.170 -3.540 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 9.914 -11.418 -4.424 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 9.578 -10.507 -3.235 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.591 -11.027 -10.164 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 9.351 -11.348 -11.061 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 8.796 -11.224 -9.619 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 12.573 -13.666 -8.701 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 13.022 -14.501 -8.519 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 13.298 -13.046 -8.906 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 16.196 -15.832 -2.288 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 16.364 -15.471 -3.183 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 17.081 -16.100 -1.973 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 13.143 -2.205 -8.301 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 13.429 -2.064 -9.233 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.325 -1.687 -8.226 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 16.259 -5.745 -13.553 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 16.552 -5.130 -12.849 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 16.325 -6.616 -13.143 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 13.398 -4.833 -7.566 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 12.599 -5.057 -7.040 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 13.226 -3.918 -7.887 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 16.156 -6.486 -16.348 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 16.275 -6.173 -15.431 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 17.038 -6.442 -16.730 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 13.246 -10.472 -12.653 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 12.711 -10.989 -13.287 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 12.582 -10.043 -12.077 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 14.591 -11.744 -8.760 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.139 -11.167 -8.107 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 14.792 -11.145 -9.511 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 16.955 -14.969 -10.367 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 16.397 -14.837 -9.562 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 16.319 -15.143 -11.068 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 3.766 -6.465 -10.138 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 3.549 -5.513 -10.021 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 3.073 -6.794 -10.745 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 3.609 -3.715 -9.808 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 4.525 -3.711 -9.446 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 3.230 -2.876 -9.489 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 8.956 -1.177 -9.865 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 9.865 -0.792 -9.811 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 8.590 -0.810 -10.701 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 15.137 1.027 -9.671 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 14.306 1.543 -9.755 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 15.333 0.740 -10.581 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 4.614 -4.076 -16.487 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 5.140 -4.234 -15.676 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 3.826 -3.623 -16.172 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 7.382 -2.253 -14.178 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 6.893 -3.085 -14.006 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 7.622 -2.311 -15.107 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 3.261 -13.130 7.811 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 3.085 -13.671 8.609 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 2.904 -13.667 7.084 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 6.654 -6.953 4.325 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 6.106 -7.605 3.842 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 6.446 -7.120 5.268 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 19.622 -18.132 10.555 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 20.129 -17.794 11.322 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 18.696 -17.924 10.771 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 9.978 -12.284 1.568 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 9.339 -13.036 1.595 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 10.732 -12.593 2.126 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 16.832 -10.872 0.443 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 16.873 -11.053 1.414 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 17.714 -10.498 0.234 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 -0.223 -16.678 6.641 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 -1.161 -16.699 6.844 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 -0.003 -17.611 6.421 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 10.340 -9.808 2.658 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 10.509 -10.254 3.514 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 10.056 -10.535 2.071 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 5.484 -17.894 4.266 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 5.918 -18.647 4.701 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 4.559 -17.926 4.597 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 12.066 -13.263 3.064 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 12.141 -14.225 3.222 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 12.669 -12.865 3.729 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 2.546 -15.295 9.450 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 3.168 -16.048 9.617 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 1.864 -15.403 10.120 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 5.311 -10.171 5.117 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 5.832 -10.955 4.899 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 5.218 -9.699 4.262 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 3.597 -7.709 8.044 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 2.652 -7.511 8.055 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 3.633 -8.695 7.972 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 2.073 -1.824 9.073 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 2.276 -1.866 10.014 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 1.217 -2.260 8.993 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 9.692 -5.058 1.479 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 8.781 -5.433 1.491 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 9.676 -4.369 2.177 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 6.993 -3.405 6.793 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 6.218 -3.985 6.949 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 6.643 -2.690 6.225 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 6.525 -13.267 -0.903 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 6.640 -13.860 -1.688 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 5.855 -13.734 -0.346 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 4.089 -2.356 7.231 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 4.203 -3.313 7.393 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 3.392 -2.089 7.865 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 16.481 -5.093 5.656 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.323 -5.834 6.278 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 17.348 -4.729 5.935 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 5.746 -1.355 5.356 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 5.171 -1.015 4.662 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 5.122 -1.611 6.080 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 6.747 -14.622 -3.224 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 6.666 -14.028 -3.999 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 6.309 -15.454 -3.513 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 3.841 -10.386 7.504 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 4.274 -10.488 6.636 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 3.573 -11.296 7.746 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 6.001 -10.627 1.043 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 6.845 -10.580 0.550 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 5.774 -11.566 1.031 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 4.077 -17.467 9.814 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 4.107 -18.296 10.320 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 4.726 -17.606 9.093 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.431 -8.929 -4.984 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 4.113 -9.860 -4.960 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.404 -9.010 -4.923 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 4.955 -14.559 0.890 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 5.516 -15.187 1.397 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 4.054 -14.832 1.094 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 5.792 -16.955 -4.251 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 5.838 -17.744 -3.655 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.211 -17.235 -4.964 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 5.929 -11.263 -2.688 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 4.972 -11.124 -2.728 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 6.044 -11.951 -1.996 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 4.904 -5.029 7.743 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 5.355 -5.242 8.588 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 4.406 -5.838 7.533 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 8.102 -14.223 1.365 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 7.664 -14.988 1.792 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 7.621 -14.110 0.533 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 8.329 -11.196 -0.332 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 7.832 -11.996 -0.601 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 8.976 -11.527 0.329 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 5.204 -8.708 2.727 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 5.532 -9.396 2.095 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 4.436 -8.329 2.285 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 5.975 -13.235 7.182 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 5.034 -13.112 7.420 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 6.467 -12.866 7.953 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 11.292 -8.115 9.961 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 11.787 -7.278 9.919 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 11.941 -8.796 9.660 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 18.140 -12.940 -1.332 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 17.341 -13.190 -0.811 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 17.806 -12.263 -1.967 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 16.016 -7.148 7.428 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 15.912 -6.537 8.185 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 15.146 -7.599 7.364 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 11.929 -1.467 3.334 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 11.145 -1.974 3.605 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 12.273 -1.086 4.167 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 10.695 -7.141 2.989 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 10.270 -6.532 2.350 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 10.414 -8.038 2.694 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 7.191 -4.889 -0.960 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 6.701 -5.252 -0.210 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.501 -4.471 -1.523 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 12.980 -4.422 7.957 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 12.430 -4.702 8.721 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 12.662 -3.521 7.749 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 15.501 -4.012 -2.968 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 15.167 -3.683 -3.833 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 15.075 -3.425 -2.307 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 2.048 -20.531 10.337 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 2.015 -20.481 9.360 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 2.953 -20.235 10.561 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 8.410 -0.977 4.578 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 7.470 -1.122 4.826 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 8.535 -0.013 4.678 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 3.711 -6.294 -5.111 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 4.038 -7.201 -4.927 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 2.980 -6.178 -4.496 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 15.934 -14.033 -0.201 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 15.894 -14.712 -0.909 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 15.497 -14.461 0.568 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 8.490 -16.948 -3.058 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 7.890 -17.096 -3.804 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.336 -16.024 -2.812 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 8.451 -19.062 -1.406 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 8.522 -18.238 -1.950 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 9.238 -19.563 -1.636 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 9.594 -1.971 -4.488 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 8.742 -2.296 -4.844 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 9.600 -1.024 -4.719 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 4.938 -3.890 -5.672 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.567 -4.791 -5.517 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 4.152 -3.352 -5.938 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 3.054 -18.171 5.520 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 2.961 -17.271 5.904 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 2.145 -18.532 5.542 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 7.559 -3.259 9.516 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 6.904 -3.935 9.772 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 7.367 -3.085 8.571 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 14.418 -6.345 11.370 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 14.087 -6.626 12.237 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 15.021 -7.073 11.099 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 7.192 -9.358 -5.204 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.521 -9.174 -4.299 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 7.862 -9.964 -5.579 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 9.367 -13.869 10.554 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 10.109 -13.483 10.050 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 9.455 -13.476 11.453 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 8.108 -9.656 -2.612 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 8.440 -9.850 -1.713 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 7.267 -10.159 -2.663 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 6.019 -8.044 6.746 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 5.264 -7.871 7.343 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 5.796 -8.899 6.323 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.583 -12.561 -5.024 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 7.448 -12.319 -5.409 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 6.507 -11.990 -4.229 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 11.467 -12.973 16.540 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 11.834 -12.110 16.849 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 11.827 -13.618 17.168 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 7.320 -12.442 9.425 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 7.967 -13.016 9.887 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 7.074 -11.785 10.085 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.045 -10.067 9.230 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.980 -10.135 8.948 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 12.950 -10.771 9.910 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 6.952 -11.426 14.761 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 7.593 -11.442 15.498 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 6.889 -12.351 14.485 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 9.714 -20.061 9.524 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 10.559 -20.483 9.748 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 9.342 -20.626 8.812 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 5.647 -3.479 -2.857 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 5.572 -2.504 -2.834 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 5.564 -3.700 -3.800 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 14.491 -1.715 9.399 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 14.344 -2.021 10.303 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 15.198 -2.294 9.063 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 15.915 -8.612 10.689 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 16.686 -9.013 11.149 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 15.805 -9.164 9.889 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 0.106 -7.794 6.158 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 0.289 -8.663 5.794 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 -0.770 -7.578 5.833 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 13.270 -11.953 11.172 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 12.846 -12.379 11.952 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 14.077 -12.483 11.017 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 16.059 -15.734 9.758 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 15.187 -15.986 9.387 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 16.367 -16.545 10.215 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 18.823 -15.820 -1.346 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 18.652 -14.985 -0.881 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 19.374 -15.556 -2.110 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 14.789 -15.619 1.734 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 15.526 -15.838 2.355 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 14.792 -16.360 1.091 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 2.363 -15.702 6.699 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 1.406 -15.886 6.573 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 2.470 -15.663 7.669 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 17.628 -18.085 -0.347 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 18.199 -17.349 -0.656 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.202 -18.856 -0.367 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 2.118 1.549 7.170 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 2.406 0.723 7.581 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 1.282 1.750 7.598 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 10.120 -2.718 6.197 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 9.555 -1.950 5.989 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 10.819 -2.353 6.779 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 11.879 -5.257 10.285 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 12.593 -5.387 10.933 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 11.234 -4.681 10.746 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 8.555 1.720 5.450 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 8.508 1.477 6.381 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 7.827 2.379 5.340 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 3.845 2.800 5.413 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 3.213 3.097 4.753 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 3.291 2.349 6.089 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 11.309 2.016 4.763 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 11.407 2.991 4.825 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 10.356 1.861 4.940 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 12.439 -1.773 7.459 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 12.678 -1.126 6.756 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 13.076 -1.585 8.181 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 15.852 0.781 5.703 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 16.794 0.775 5.969 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 15.531 1.657 6.009 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 7.363 -6.370 1.796 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 7.119 -6.323 2.749 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 7.155 -7.277 1.546 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 9.719 -3.212 3.563 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 9.100 -2.452 3.578 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 9.910 -3.376 4.509 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 18.353 -17.723 5.470 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 18.728 -17.074 6.110 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 18.097 -18.486 6.025 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 16.864 -16.399 3.271 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 16.862 -16.772 4.168 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 17.746 -16.623 2.926 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 6.577 -16.356 2.293 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 6.079 -16.830 2.998 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 7.096 -17.073 1.848 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 9.535 -19.352 4.664 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 9.834 -19.356 3.726 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 9.917 -20.181 5.039 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 12.674 -15.930 3.522 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 13.473 -15.670 3.016 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 12.510 -16.843 3.248 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 14.932 -17.435 -0.293 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 15.027 -16.991 -1.157 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 15.809 -17.860 -0.150 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 6.046 -19.221 -2.826 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 6.814 -19.237 -2.219 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 5.637 -20.082 -2.711 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 4.678 -20.059 10.884 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 4.669 -20.362 11.826 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.596 -19.741 10.745 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 7.568 -19.049 13.159 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 7.198 -18.501 13.882 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 7.567 -19.961 13.525 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 15.373 -5.010 9.100 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 14.520 -4.853 8.629 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.101 -5.375 9.969 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 8.491 -12.337 22.865 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 7.839 -12.946 22.449 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 7.949 -11.635 23.237 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.357 -13.215 25.239 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 12.021 -13.215 26.155 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 12.889 -12.393 25.184 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 3.927 -12.789 25.390 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 3.348 -13.000 26.157 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 3.408 -13.086 24.613 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 0.717 -10.450 23.033 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 0.067 -9.718 23.092 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 0.684 -10.873 23.919 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 11.703 -14.424 19.203 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 12.522 -14.629 18.694 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 11.723 -15.057 19.955 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 -0.805 -15.973 19.386 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 -0.948 -15.992 18.432 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 -0.706 -15.013 19.598 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 6.416 -13.881 21.797 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 5.601 -14.148 22.233 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 6.472 -14.471 21.015 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 8.980 -12.781 25.845 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 9.865 -12.856 26.239 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 9.142 -12.805 24.888 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 13.903 -10.949 25.391 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 13.809 -10.076 24.999 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 14.843 -11.196 25.204 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 8.944 -11.979 16.650 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 9.848 -12.367 16.563 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 9.035 -11.334 17.359 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 18.086 -13.331 28.407 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 17.139 -13.522 28.593 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 18.569 -13.895 29.040 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 12.138 -10.268 20.311 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 11.811 -11.136 20.636 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 12.246 -9.745 21.107 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 2.202 -13.961 23.624 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 1.960 -13.563 22.760 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 2.101 -14.924 23.482 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 12.325 -10.665 17.594 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 12.283 -10.490 18.561 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 12.687 -9.840 17.217 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 4.960 -10.914 27.041 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 4.385 -10.150 26.919 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 4.679 -11.542 26.332 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 18.054 -6.533 28.011 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 18.662 -7.135 27.547 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 17.909 -6.965 28.879 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 12.339 -12.815 13.604 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 12.823 -12.122 14.104 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 12.326 -13.578 14.213 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 6.101 -15.959 19.938 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 5.240 -16.080 20.392 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 6.341 -16.865 19.639 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 13.547 -15.037 17.311 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 13.166 -15.267 16.443 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 14.511 -14.978 17.140 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 14.254 -11.231 28.179 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 13.441 -11.342 28.704 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 13.935 -11.114 27.261 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 7.727 -15.896 17.063 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 7.143 -15.761 17.827 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 8.592 -16.150 17.465 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 1.678 -16.720 23.242 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 1.222 -17.097 22.448 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 1.770 -17.475 23.840 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 11.223 -12.515 27.738 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 11.739 -12.674 28.553 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 10.508 -11.914 28.030 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 3.695 -16.302 21.282 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 3.065 -16.635 20.631 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 3.233 -16.405 22.131 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 10.150 -16.503 18.224 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 10.530 -15.654 18.523 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 10.809 -17.163 18.487 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 8.148 -14.026 15.032 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 7.932 -14.787 15.607 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 8.410 -13.322 15.663 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 4.874 -20.467 18.143 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 4.728 -21.424 17.981 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 4.184 -20.233 18.801 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 10.184 -7.969 12.483 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 9.616 -8.748 12.707 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 10.549 -8.186 11.600 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 16.520 -11.337 24.809 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 16.951 -12.207 24.718 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 17.233 -10.704 24.653 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 0.821 -12.137 25.201 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 0.280 -12.627 25.847 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 1.329 -12.831 24.740 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 2.823 -12.316 31.727 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 2.101 -11.653 31.651 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 3.313 -12.234 30.879 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 8.877 -12.558 31.427 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 8.507 -12.361 32.296 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 9.693 -13.078 31.627 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 16.282 -12.551 15.180 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 16.073 -13.351 15.712 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 15.432 -12.058 15.140 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 16.758 -10.240 29.006 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 17.353 -10.431 28.257 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 15.866 -10.479 28.672 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 12.959 -14.182 22.751 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 12.763 -13.959 23.691 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 12.411 -13.552 22.241 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 8.567 -6.068 11.326 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 9.063 -6.705 11.887 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 9.025 -5.219 11.466 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 6.685 -18.502 19.025 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 7.457 -19.037 19.280 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 6.044 -19.158 18.679 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 11.043 -12.568 21.333 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 10.153 -12.545 21.740 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 10.941 -13.155 20.558 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 9.780 -3.537 11.081 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 9.776 -2.772 11.667 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 9.018 -3.377 10.471 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 6.176 -5.670 10.111 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 5.574 -6.335 10.468 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 7.024 -5.833 10.591 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 12.653 -7.659 13.750 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 11.717 -7.668 13.454 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 13.062 -8.413 13.274 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 11.261 -9.148 30.010 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 11.121 -8.407 29.414 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 10.611 -9.822 29.712 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 0.445 -10.941 31.681 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 0.214 -10.913 32.631 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 -0.370 -11.222 31.250 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 8.661 -10.176 12.923 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 7.897 -10.331 13.513 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 9.088 -11.051 12.857 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 4.295 -12.325 29.422 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 4.586 -11.756 28.681 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 5.122 -12.747 29.740 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 9.631 -12.795 13.037 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 9.143 -13.283 13.736 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 10.551 -12.743 13.376 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 9.386 -11.005 29.189 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 8.586 -11.242 28.675 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 9.277 -11.494 30.035 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 13.980 -9.580 12.371 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 13.629 -10.355 11.882 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 14.655 -9.204 11.768 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 7.282 -12.090 27.813 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 7.800 -12.379 27.024 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 6.508 -11.618 27.434 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 12.373 -12.223 30.255 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 11.956 -12.903 30.821 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 12.660 -11.534 30.886 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 17.049 -11.271 31.507 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 17.043 -10.993 30.566 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 17.467 -12.153 31.496 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 5.075 -15.565 30.891 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 4.689 -16.083 30.156 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 5.689 -14.939 30.447 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 13.544 -8.609 16.218 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 14.235 -7.995 16.483 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 13.115 -8.174 15.449 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 18.844 -11.766 16.095 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 17.909 -12.001 15.950 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 19.206 -11.668 15.194 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 19.590 -11.205 24.230 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 19.124 -12.059 24.126 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 20.247 -11.202 23.494 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 14.053 -10.974 14.740 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 14.133 -10.426 13.930 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 13.847 -10.327 15.443 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 16.187 -14.976 16.461 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 16.993 -15.018 16.996 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 16.261 -15.757 15.862 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 15.816 -14.670 22.943 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 15.878 -15.117 22.094 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 14.869 -14.429 23.016 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 -1.278 -8.533 23.200 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 -1.603 -7.713 22.819 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 -1.982 -8.820 23.790 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 17.878 -13.883 32.191 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 18.316 -14.370 31.466 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 17.524 -14.587 32.770 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 18.668 -15.289 20.240 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 18.069 -14.654 19.833 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 18.968 -15.840 19.500 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 2.793 -13.784 27.626 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 2.390 -14.612 27.943 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 3.188 -13.386 28.427 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 1.480 -12.437 21.417 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 2.151 -12.042 20.849 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 1.177 -11.685 21.990 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 0.550 -17.749 21.009 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 0.022 -18.563 20.871 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 0.126 -17.091 20.416 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 1.660 -16.431 27.286 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 0.988 -16.192 26.616 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 2.511 -16.347 26.812 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 2.760 -20.076 19.877 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 2.019 -19.903 19.245 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 2.491 -19.623 20.682 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 5.023 -19.619 15.485 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 5.567 -18.806 15.472 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 4.987 -19.869 16.431 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 6.514 -17.361 15.094 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 6.991 -16.957 15.852 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 6.136 -16.609 14.625 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 14.887 -16.563 37.288 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 14.001 -16.984 37.416 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.518 -17.303 37.418 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 9.414 -20.338 40.528 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 8.522 -20.473 40.863 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 9.839 -21.213 40.617 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 10.019 -16.006 33.507 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 9.539 -16.440 34.230 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 9.727 -16.492 32.702 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 17.223 -12.405 34.515 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 16.376 -11.978 34.275 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 17.577 -12.725 33.660 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 15.021 -11.239 33.232 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 15.764 -11.207 32.581 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 14.309 -10.721 32.804 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 9.328 -17.345 31.265 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 9.992 -17.969 30.904 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 8.697 -17.217 30.534 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 -1.631 -16.087 34.814 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 -0.742 -15.819 35.119 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 -2.061 -15.242 34.563 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 -0.653 -19.827 31.066 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 -0.294 -19.211 30.398 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 -1.596 -19.621 31.097 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 3.640 -15.294 35.420 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 3.934 -14.786 34.630 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 4.420 -15.279 36.022 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 10.392 -18.353 39.013 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 9.570 -18.007 38.619 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 10.087 -19.082 39.600 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 4.470 -14.048 33.111 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 4.590 -14.605 32.312 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 3.955 -13.280 32.788 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 5.619 -15.797 37.225 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 5.320 -16.568 37.743 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 6.583 -15.814 37.317 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 11.084 -13.891 32.210 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 10.723 -14.667 32.707 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 11.928 -13.679 32.680 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 13.448 -13.442 33.308 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 13.848 -14.013 34.007 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 13.991 -12.627 33.331 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 16.792 -16.147 33.562 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 16.832 -17.038 33.982 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 16.799 -16.340 32.597 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 12.715 -18.120 37.645 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 12.504 -18.801 36.987 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 11.908 -18.076 38.210 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 12.942 -20.656 36.306 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 13.883 -20.388 36.227 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 12.860 -20.985 37.222 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 6.282 -16.209 33.338 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 5.863 -15.404 33.679 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 6.016 -16.233 32.399 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 0.945 -13.813 33.042 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 0.222 -13.838 32.380 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 1.709 -13.446 32.547 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 6.708 -13.542 30.002 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 6.988 -13.126 29.155 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 7.457 -13.370 30.608 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 12.838 -10.045 32.027 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 12.358 -9.663 31.253 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 12.480 -9.568 32.783 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 18.092 -8.026 30.319 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 18.100 -8.013 31.293 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 17.548 -8.807 30.092 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 19.285 -20.734 30.778 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 19.771 -21.460 31.224 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 18.649 -20.440 31.431 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 14.801 -14.988 35.020 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 14.750 -15.536 35.829 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 15.532 -15.390 34.504 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 15.864 -22.624 37.100 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 16.060 -21.674 37.063 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 15.815 -22.892 36.162 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 0.925 -15.271 35.367 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 0.837 -14.809 34.504 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 1.892 -15.270 35.536 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 16.827 -18.461 37.659 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 16.441 -19.121 37.039 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 17.558 -18.062 37.153 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 16.456 -14.834 38.672 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 15.950 -14.383 39.355 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 15.792 -15.404 38.215 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 0.875 -17.500 37.374 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 0.485 -16.683 37.015 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 1.699 -17.619 36.851 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 7.912 -17.610 37.607 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 8.070 -17.646 36.638 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 7.077 -18.083 37.728 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 12.503 -21.521 38.995 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 12.697 -20.697 39.464 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 11.750 -21.907 39.493 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 7.971 -17.739 34.830 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 7.901 -18.607 34.410 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 7.370 -17.164 34.298 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 12.694 2.311 -9.828 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 12.391 2.570 -8.927 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 12.724 3.162 -10.320 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 7.875 -0.384 -12.251 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 7.667 -1.113 -12.887 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 8.354 0.262 -12.782 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 5.675 -0.507 -10.553 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 5.752 0.161 -9.842 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 6.404 -0.286 -11.170 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 7.936 -0.537 -7.367 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 7.707 -1.362 -6.883 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 8.347 -0.854 -8.200 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 12.747 4.961 -10.650 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 12.640 5.593 -11.368 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 13.028 5.496 -9.901 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 5.837 1.003 -8.232 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 5.888 1.827 -7.716 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 6.578 0.459 -7.886 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 10.426 3.460 -4.030 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 9.858 3.773 -3.297 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 9.862 3.539 -4.820 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 5.926 -3.882 -8.354 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 5.728 -3.666 -7.426 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 6.022 -4.861 -8.356 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 9.092 3.144 -6.476 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 9.326 3.750 -7.191 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 8.110 3.116 -6.497 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 11.810 3.059 -7.374 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 10.973 2.749 -7.001 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 12.437 3.010 -6.623 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 12.309 -1.968 -4.726 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 11.361 -2.205 -4.787 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 12.304 -1.076 -4.323 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 7.015 -2.164 -5.348 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 6.357 -2.868 -5.524 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 6.566 -1.573 -4.709 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 5.724 -0.674 -3.353 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 4.935 -0.129 -3.445 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 6.433 -0.032 -3.112 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 17.764 -0.902 -6.701 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.315 -0.354 -7.268 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 16.842 -0.676 -6.969 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 15.177 -0.440 -7.401 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 15.165 0.134 -8.204 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 14.512 -1.131 -7.593 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 14.387 -3.543 -5.362 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 13.656 -2.889 -5.213 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 14.178 -3.938 -6.233 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 15.147 -0.958 -14.732 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 15.788 -1.421 -15.282 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 14.705 -0.331 -15.358 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 14.220 0.512 -16.802 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 14.118 -0.106 -17.565 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 13.845 1.338 -17.117 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 3.339 -1.052 -8.859 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 4.185 -0.635 -8.615 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 3.131 -0.670 -9.721 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 18.128 1.560 7.136 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 19.069 1.648 7.328 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 17.786 0.987 7.857 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 12.850 1.873 2.457 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 13.771 1.697 2.753 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 12.320 1.833 3.286 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 14.508 3.909 4.337 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 15.042 3.866 5.158 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 14.949 3.283 3.735 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 15.949 3.341 6.609 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 15.846 4.119 7.205 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 16.820 2.970 6.850 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 8.945 3.163 0.695 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 9.766 3.481 1.133 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 8.247 3.372 1.326 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 15.870 5.526 8.269 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 16.498 6.253 8.210 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 15.266 5.788 8.973 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 9.191 0.664 -5.264 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 8.715 0.209 -6.000 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 9.338 1.569 -5.607 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 11.450 4.981 -0.753 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 11.971 5.790 -0.816 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 11.452 4.765 0.206 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 6.310 3.316 -6.486 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 6.501 3.385 -5.521 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 5.724 4.060 -6.664 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 11.921 4.706 4.477 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 12.885 4.479 4.433 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 11.904 5.580 4.884 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 13.067 -0.014 5.459 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 13.969 0.354 5.439 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 12.482 0.770 5.339 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 11.685 0.516 -3.550 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 10.851 0.799 -3.955 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 11.868 1.201 -2.871 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 14.413 2.395 0.028 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 15.373 2.228 0.122 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 14.085 2.412 0.942 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 9.004 4.323 -1.837 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 9.846 4.754 -1.577 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 8.712 3.871 -1.024 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 11.607 -0.099 1.036 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 11.645 -0.700 1.814 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 11.900 0.763 1.393 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 7.175 3.583 -3.896 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 7.605 4.158 -3.235 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 7.251 2.685 -3.512 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 6.471 3.486 5.732 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 5.562 3.145 5.560 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 6.327 4.272 6.268 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 15.166 0.829 -4.955 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 15.075 0.359 -5.810 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 14.611 1.620 -5.059 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 12.917 2.593 -4.920 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 12.194 3.115 -4.512 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 12.799 1.699 -4.550 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 12.193 2.446 -1.572 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 13.052 2.454 -1.095 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 11.906 3.383 -1.556 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 13.740 -0.274 -0.599 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 14.069 0.633 -0.719 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 12.951 -0.168 -0.028 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 18.185 0.037 -1.452 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.065 0.329 -1.712 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 17.741 -0.177 -2.314 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 16.982 -0.214 8.900 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 16.070 -0.048 9.188 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 16.970 -1.148 8.598 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 11.291 4.042 1.842 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 11.914 3.287 1.896 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 11.329 4.443 2.735 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 16.121 -1.990 5.649 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 15.860 -1.055 5.754 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 16.330 -2.286 6.558 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 9.763 1.305 -1.117 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 10.660 1.678 -1.270 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 9.404 1.848 -0.380 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 7.774 1.064 -2.958 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 8.299 0.882 -3.769 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 8.449 1.125 -2.245 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.212 -42.958 11.675 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.953 -42.646 12.245 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 20.540 -42.840 10.774 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 20.886 -39.008 9.747 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 21.510 -39.280 9.068 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 20.112 -39.603 9.615 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.808 -38.224 14.114 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 25.466 -37.724 14.647 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.105 -39.141 14.168 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 16.969 -42.933 9.825 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 17.174 -43.427 10.643 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 16.686 -43.629 9.188 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 18.943 -40.952 9.688 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 18.653 -40.648 10.567 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 18.285 -41.636 9.448 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.103 -48.699 24.364 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.022 -48.148 25.166 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.039 -48.586 24.095 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 20.404 -49.636 25.651 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 21.338 -49.865 25.561 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 20.212 -49.111 24.849 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 28.677 -38.333 25.559 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 28.519 -38.643 26.477 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 28.197 -38.983 25.004 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 27.503 -45.976 24.507 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 27.376 -45.515 23.646 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 28.175 -45.440 24.962 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 22.909 -43.645 18.016 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 22.059 -43.599 18.467 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 23.558 -43.344 18.697 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 26.072 -42.001 22.215 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 26.026 -41.647 23.119 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 26.549 -41.305 21.714 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 23.223 -47.191 31.861 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 23.442 -46.384 32.367 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 22.245 -47.154 31.772 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 21.095 -41.084 18.095 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 20.935 -41.591 17.276 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 20.338 -40.463 18.142 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.842 -39.845 24.081 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 27.028 -39.712 23.127 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.143 -39.189 24.283 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 19.668 -47.416 18.055 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 18.948 -46.925 17.602 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 20.349 -47.500 17.384 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 25.789 -48.047 24.157 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 26.373 -48.592 23.623 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 26.330 -47.252 24.369 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 30.003 -43.383 22.986 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 29.764 -43.529 23.929 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 30.552 -44.142 22.762 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.966 -46.199 29.128 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.113 -46.858 29.830 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.071 -45.337 29.590 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 24.834 -38.042 24.491 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 24.379 -37.231 24.802 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 24.549 -38.128 23.554 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 17.997 -45.995 16.255 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 18.307 -45.207 15.767 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 17.022 -45.946 16.187 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 25.543 -38.676 27.059 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.358 -38.484 26.118 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.666 -38.864 27.441 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.816 -37.610 18.834 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.442 -36.731 18.603 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 26.301 -37.449 19.669 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.212 -36.896 21.147 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.713 -36.263 20.576 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 27.492 -36.663 22.068 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.177 -46.918 26.469 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.069 -46.644 26.221 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.124 -46.724 27.433 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 21.318 -42.303 31.369 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 21.931 -42.954 30.971 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 21.910 -41.630 31.757 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.453 -40.327 16.916 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 22.722 -40.722 17.438 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 23.281 -39.360 16.963 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 27.974 -39.019 28.116 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 27.969 -39.896 28.537 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 27.050 -38.911 27.774 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.365 -48.353 20.635 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.102 -47.825 19.851 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.298 -49.262 20.335 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 25.575 -40.416 18.705 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 25.858 -39.482 18.716 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.950 -40.467 17.955 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 20.277 -45.500 28.255 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.274 -45.783 27.315 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 21.184 -45.689 28.557 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 29.421 -44.218 25.568 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 28.798 -43.782 26.199 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 30.080 -44.630 26.138 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 24.600 -42.657 19.905 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 25.094 -41.935 19.455 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.007 -42.706 20.791 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 27.486 -44.365 22.348 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 28.343 -43.907 22.381 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 26.835 -43.644 22.235 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 24.307 -41.372 14.551 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 24.473 -42.293 14.849 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 24.068 -40.896 15.376 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 20.961 -39.146 12.541 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 21.385 -38.375 12.984 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 20.994 -38.920 11.588 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 18.451 -43.594 14.937 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 17.878 -42.819 14.770 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 19.298 -43.204 15.245 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.334 -39.686 21.419 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 27.404 -38.736 21.194 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 28.266 -40.011 21.396 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 23.205 -37.744 17.665 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 23.369 -36.800 17.491 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.926 -37.998 18.266 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 21.926 -41.581 13.266 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 21.675 -40.653 13.049 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 22.857 -41.507 13.588 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 27.831 -43.368 27.624 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.802 -42.589 28.222 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 27.100 -43.918 27.921 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.468 -44.170 32.225 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.080 -43.429 32.004 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.911 -44.265 31.420 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 24.379 -43.850 15.744 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 23.827 -43.779 16.555 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 25.046 -44.502 15.971 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 26.254 -41.316 33.106 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 25.648 -40.977 33.792 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 26.997 -40.685 33.115 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.543 -46.714 31.926 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 20.178 -45.812 32.055 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 19.891 -47.151 31.326 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 20.875 -42.439 15.666 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 21.223 -42.049 14.834 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 21.557 -43.073 15.934 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 24.538 -35.352 17.920 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.917 -34.717 18.336 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.043 -34.807 17.277 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 18.731 -40.744 12.438 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 19.437 -40.079 12.599 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 19.220 -41.566 12.225 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 20.611 -48.041 23.387 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 21.555 -48.294 23.497 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 20.472 -48.054 22.412 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 18.892 -49.006 27.853 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 19.485 -48.288 28.110 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 19.339 -49.420 27.078 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 27.537 -37.228 31.489 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 26.610 -37.082 31.207 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 28.067 -36.936 30.722 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 28.797 -36.568 29.043 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 29.437 -36.370 28.325 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 28.439 -37.450 28.800 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 25.835 -34.009 24.394 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 25.077 -33.391 24.452 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 25.668 -34.511 23.570 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 30.366 -36.475 26.750 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 31.230 -36.631 26.365 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 29.770 -37.078 26.256 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 29.745 -40.916 21.745 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 30.679 -40.760 21.589 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 29.723 -41.763 22.239 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 20.147 -46.074 39.388 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 19.741 -46.953 39.221 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 20.965 -46.093 38.879 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 19.818 -47.373 36.273 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 20.210 -47.922 35.562 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 19.520 -46.563 35.810 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 18.848 -43.597 37.875 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 19.714 -43.226 38.156 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 18.805 -44.457 38.319 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 21.061 -43.339 42.702 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 20.612 -44.044 42.194 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 20.408 -43.087 43.375 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 23.812 -43.287 35.301 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 23.184 -42.661 35.734 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.675 -42.879 35.424 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 24.187 -40.049 40.179 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.937 -39.714 39.283 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 23.348 -40.405 40.542 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 26.357 -38.041 35.527 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 25.539 -37.623 35.209 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 26.090 -38.950 35.737 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.179 -42.634 44.565 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 22.764 -41.748 44.515 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 22.630 -43.185 43.975 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 23.562 -48.956 33.976 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 23.620 -48.445 33.143 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 24.474 -49.053 34.259 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 16.427 -44.820 45.698 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 15.831 -45.304 46.304 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 16.048 -43.914 45.675 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 26.807 -35.704 37.081 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 27.208 -35.952 37.923 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 26.838 -36.522 36.549 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 18.785 -44.190 44.330 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 18.797 -44.767 43.539 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.062 -44.552 44.882 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.385 -49.258 33.121 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.276 -49.081 33.492 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.221 -50.202 33.339 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.495 -40.211 34.876 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.173 -39.293 34.801 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 23.836 -40.645 35.459 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 19.037 -45.082 41.653 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 19.539 -45.492 40.913 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 18.103 -45.169 41.378 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 29.114 -40.933 31.581 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 28.799 -40.279 32.241 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 30.032 -41.084 31.820 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.473 -37.540 35.068 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 23.372 -36.937 35.827 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 22.724 -38.183 35.177 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 18.923 -45.235 34.782 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 18.588 -44.528 35.352 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 19.072 -44.798 33.915 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 23.224 -39.107 37.842 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 22.915 -38.183 37.766 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 22.684 -39.594 37.183 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 25.977 -41.999 44.409 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 25.950 -41.464 43.591 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 25.064 -42.330 44.506 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 21.550 -40.467 43.933 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 21.758 -40.458 42.983 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 20.630 -40.815 43.975 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 21.133 -42.256 38.557 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 21.663 -41.970 39.321 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 21.667 -41.974 37.774 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 25.252 -39.762 30.119 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 24.634 -39.695 29.363 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 25.356 -38.838 30.420 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 20.863 -48.525 34.016 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 21.813 -48.771 34.106 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 20.852 -47.875 33.281 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 18.852 -38.807 46.254 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 18.468 -37.953 45.941 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 19.817 -38.708 46.100 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 23.855 -42.097 47.239 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.567 -42.819 47.801 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 23.676 -42.414 46.330 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 27.385 -41.431 29.555 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 26.615 -40.867 29.801 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.038 -41.277 30.283 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 23.330 -44.079 30.840 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 23.155 -44.356 31.766 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.268 -43.769 30.857 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 25.864 -43.180 31.122 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 25.971 -42.659 31.948 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 26.447 -42.732 30.487 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 22.833 -44.935 33.396 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 23.262 -44.371 34.086 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 21.970 -45.151 33.774 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 18.959 -48.439 38.624 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 18.043 -48.657 38.416 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 19.338 -48.144 37.759 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 19.014 -41.509 44.165 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 18.375 -41.050 44.740 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 18.851 -42.465 44.340 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.194 -39.536 46.350 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 24.958 -39.097 46.780 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.141 -40.413 46.792 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 28.139 -36.390 51.111 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 27.537 -35.661 50.833 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 28.803 -35.955 51.647 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 27.557 -38.501 49.515 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 27.790 -37.715 50.062 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 27.765 -39.249 50.079 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 28.297 -38.593 45.408 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 29.218 -38.397 45.604 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 28.229 -39.573 45.523 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 21.881 -41.204 41.155 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 20.940 -40.907 41.136 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 21.845 -42.072 41.614 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 28.035 -39.125 33.369 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 27.933 -38.429 32.673 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 27.734 -38.688 34.184 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 19.729 -36.915 48.133 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 19.357 -37.697 47.685 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 18.949 -36.472 48.531 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.355 -25.752 8.585 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 22.401 -25.528 8.482 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.622 -26.045 7.712 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.842 -23.527 11.210 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 26.713 -23.242 10.925 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 25.729 -23.113 12.091 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 23.478 -27.683 12.754 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.518 -27.617 12.815 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 23.735 -26.913 12.194 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 22.240 -23.107 11.239 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 22.824 -23.871 11.045 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 21.937 -23.267 12.138 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 18.516 -28.931 12.586 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 18.405 -28.181 13.209 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 19.033 -29.578 13.091 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 18.166 -23.418 10.436 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 18.961 -23.054 9.976 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 18.509 -23.743 11.278 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 20.773 -24.986 8.267 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 19.882 -25.332 8.168 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 20.642 -24.045 8.498 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.340 -30.472 14.954 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 18.984 -29.586 15.228 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 18.553 -31.022 14.874 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 25.216 -27.669 14.907 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 24.710 -27.663 14.068 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.872 -28.433 15.383 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.983 -36.222 10.065 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 20.149 -35.905 9.657 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.935 -37.193 9.979 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 20.379 -22.399 9.283 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 21.162 -22.490 9.871 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 20.410 -21.464 8.983 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.664 -20.899 12.303 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.333 -21.391 12.827 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 23.268 -21.579 11.728 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 25.579 -24.932 14.752 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 25.894 -24.679 15.648 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 25.447 -25.902 14.810 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.747 -31.668 14.730 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 26.113 -31.939 13.881 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.891 -31.240 14.495 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 23.543 -30.414 13.693 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.088 -31.004 13.041 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 23.558 -29.542 13.255 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 22.287 -32.043 11.949 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.336 -33.016 12.116 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.650 -31.961 11.235 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.423 -36.806 15.830 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.432 -35.830 15.853 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 26.378 -37.066 16.761 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 16.889 -36.829 10.412 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 16.187 -36.179 10.259 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 17.644 -36.492 9.891 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 20.014 -35.545 6.255 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 20.934 -35.595 6.536 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 20.030 -35.819 5.334 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 23.870 -25.406 11.194 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 23.742 -25.611 10.237 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 24.685 -24.852 11.213 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 20.273 -19.747 8.482 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 20.041 -19.166 9.249 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 21.049 -19.324 8.095 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.151 -34.788 12.098 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 21.776 -35.241 11.310 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 22.289 -35.508 12.740 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 22.366 -37.134 13.825 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 22.182 -37.049 14.767 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.290 -37.487 13.792 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 29.210 -26.964 19.084 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 29.663 -26.124 19.217 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 28.905 -27.215 19.978 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 27.552 -31.802 24.420 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 27.772 -31.483 25.318 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 27.095 -32.652 24.571 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 27.106 -21.673 21.490 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 27.404 -22.051 22.343 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 26.126 -21.790 21.509 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 27.250 -29.448 23.054 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 27.579 -30.241 23.526 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 26.278 -29.553 23.065 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 23.897 -31.990 24.312 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 23.007 -31.689 24.590 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.207 -31.281 23.701 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 27.552 -22.949 23.901 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 27.158 -23.830 23.725 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 28.268 -23.134 24.537 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.544 -25.532 23.728 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.565 -25.504 23.683 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 26.806 -26.050 22.946 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 31.129 -24.298 18.506 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 30.547 -24.321 17.712 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 31.810 -24.950 18.319 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 29.524 -24.213 16.326 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 29.195 -24.437 15.450 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 29.315 -23.252 16.423 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 30.834 -22.035 21.997 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 31.650 -22.529 22.212 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 30.140 -22.513 22.470 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 28.895 -28.197 25.615 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 28.667 -29.086 25.946 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 28.193 -27.623 25.970 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 19.399 -25.061 32.818 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 19.151 -25.696 33.516 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 19.681 -25.618 32.086 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 30.290 -19.636 17.695 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 30.643 -18.791 18.029 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 30.680 -20.311 18.292 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 31.200 -21.663 19.328 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 31.088 -22.593 19.025 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 30.946 -21.690 20.280 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 28.432 -33.948 29.917 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 29.354 -33.807 30.144 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 28.410 -34.865 29.568 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 24.532 -29.797 22.871 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 24.031 -29.031 23.231 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.386 -29.749 21.901 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 26.233 -33.957 16.305 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 26.551 -33.557 17.145 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 26.038 -33.186 15.734 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 28.159 -30.603 26.899 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 28.846 -30.987 27.453 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 27.438 -30.381 27.529 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 25.234 -35.064 21.935 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 25.733 -35.849 21.639 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 24.298 -35.305 21.790 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 22.652 -31.342 18.513 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 22.559 -32.308 18.638 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 22.362 -31.189 17.583 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 21.917 -31.013 15.924 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 21.014 -30.810 15.605 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 22.489 -30.818 15.160 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 24.432 -31.246 26.898 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 24.440 -31.455 25.943 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 23.898 -31.967 27.291 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.070 -33.644 27.464 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 23.110 -34.170 28.287 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 23.399 -34.247 26.782 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 27.522 -28.232 17.297 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 28.206 -27.764 17.834 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 27.216 -27.565 16.668 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 29.969 -26.887 23.420 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 29.304 -27.015 22.714 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 29.649 -27.451 24.158 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 26.667 -24.100 17.112 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 27.583 -24.347 17.297 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 26.498 -23.340 17.709 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.713 -28.431 26.471 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 24.150 -28.286 25.678 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 24.660 -29.396 26.626 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 27.930 -27.314 21.615 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 27.266 -27.456 20.897 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 27.801 -28.094 22.211 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 29.259 -23.706 25.920 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 29.058 -24.588 26.262 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 29.995 -23.859 25.281 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 25.471 -22.424 13.707 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 25.458 -23.332 14.098 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 25.958 -21.887 14.364 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.401 -32.235 30.654 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.937 -32.711 31.372 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 27.108 -32.860 30.371 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 26.876 -21.875 18.767 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 27.148 -21.914 19.712 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 27.713 -21.773 18.280 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 24.489 -30.228 20.153 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 24.890 -31.061 20.481 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 23.790 -30.531 19.522 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.138 -30.269 28.788 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 25.472 -30.642 28.170 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 26.244 -30.965 29.475 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.823 -32.939 18.792 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 26.967 -32.097 18.293 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 26.428 -32.649 19.640 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.490 -34.030 19.158 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 21.806 -34.682 18.897 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 22.631 -34.202 20.110 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.147 -20.504 26.291 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 24.741 -19.923 25.803 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 23.911 -21.203 25.645 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 26.975 -20.437 14.989 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 27.335 -20.110 14.158 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 26.590 -19.638 15.413 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.778 -26.461 26.319 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 26.712 -26.110 25.403 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 26.089 -27.156 26.360 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 26.221 -28.131 19.720 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 25.570 -28.851 19.864 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 26.588 -28.314 18.835 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 27.073 -30.917 17.055 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 27.263 -29.954 17.085 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.608 -31.044 16.204 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.875 -35.345 29.706 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 21.989 -35.573 29.342 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 22.733 -35.290 30.662 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 23.251 -27.819 24.271 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 22.275 -27.812 24.260 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 23.496 -26.861 24.259 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.567 -30.517 32.106 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 24.464 -31.360 32.577 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.312 -30.675 31.504 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 24.886 -36.994 30.777 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 24.479 -36.564 31.556 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 24.436 -36.579 30.018 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 23.369 -40.549 32.015 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 23.767 -40.679 32.888 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 24.138 -40.417 31.421 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 33.090 -23.654 22.204 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 33.867 -24.152 22.472 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 33.402 -23.113 21.441 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 20.633 -22.687 32.161 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 21.276 -22.573 32.894 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.123 -23.491 32.413 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.565 -22.330 28.655 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 26.162 -22.162 27.900 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.571 -23.304 28.749 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 23.794 -17.596 24.397 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 23.728 -16.826 23.796 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 24.071 -18.335 23.809 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 24.509 -19.480 22.467 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 25.210 -19.258 21.827 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 24.389 -20.451 22.354 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 30.907 -24.404 23.846 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 30.621 -25.336 23.671 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 31.711 -24.296 23.304 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 25.735 -32.444 21.292 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 25.518 -33.378 21.509 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 26.209 -32.124 22.074 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 27.776 -36.314 23.766 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 27.341 -35.626 24.295 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 28.120 -36.944 24.430 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 28.295 -35.165 19.346 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 29.138 -34.881 18.985 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.687 -34.415 19.155 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 28.782 -21.628 16.676 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 29.340 -20.862 16.952 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.091 -21.227 16.105 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 19.757 -27.848 37.315 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 20.735 -27.730 37.298 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 19.516 -27.965 36.380 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 22.338 -31.229 34.962 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.431 -30.279 35.116 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 21.425 -31.435 35.274 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 30.174 -29.557 46.891 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 29.904 -30.296 47.482 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 31.134 -29.602 46.885 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 19.765 -31.906 35.559 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 18.983 -31.292 35.552 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 19.450 -32.684 36.034 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.996 -30.991 36.382 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 24.911 -31.948 36.609 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.513 -30.905 35.547 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 16.337 -26.094 35.795 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 16.372 -26.885 36.370 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 17.027 -25.503 36.160 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.982 -40.382 42.158 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.844 -40.345 41.730 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.342 -40.399 41.406 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 24.544 -28.842 38.098 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.729 -29.416 37.328 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 24.858 -29.360 38.856 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.002 -28.112 45.644 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.522 -28.777 45.126 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 22.311 -27.480 45.916 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.506 -27.603 34.575 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.743 -26.726 34.191 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.529 -27.453 35.541 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 20.609 -26.769 46.319 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 20.699 -26.022 46.919 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.714 -26.655 45.924 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 24.344 -18.421 34.408 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 24.498 -17.862 35.203 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.440 -18.157 34.104 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.247 -24.730 39.113 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 20.058 -23.817 38.819 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.223 -24.807 39.043 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 26.301 -34.717 45.926 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 25.434 -34.420 45.605 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.577 -35.398 45.277 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 25.022 -33.284 32.834 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 25.502 -33.395 33.664 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 24.495 -34.102 32.751 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 23.589 -35.728 40.005 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 23.221 -35.810 39.107 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 23.998 -34.836 40.016 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 27.303 -30.685 49.831 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 26.491 -31.207 50.032 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 27.243 -29.922 50.417 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.942 -34.762 46.085 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 20.407 -35.534 46.329 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.273 -34.078 45.840 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 23.427 -35.679 32.809 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 22.799 -35.035 33.225 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 23.495 -36.399 33.467 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 28.095 -28.244 45.675 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 28.593 -27.487 45.358 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 28.768 -28.798 46.137 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.102 -31.083 38.965 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.839 -31.082 38.021 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.051 -31.245 38.946 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 22.210 -36.555 37.695 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 21.609 -35.970 37.187 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.657 -36.880 38.437 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 22.262 -28.945 32.202 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 23.144 -29.366 32.089 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 22.348 -28.435 33.040 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 26.791 -31.938 44.408 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 27.030 -31.012 44.285 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 26.757 -32.047 45.380 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 24.834 -33.296 40.034 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 24.863 -33.287 41.023 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 25.214 -32.430 39.779 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 20.275 -35.249 36.179 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 20.051 -35.979 35.551 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 19.547 -35.254 36.825 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 20.386 -29.240 45.003 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 19.679 -29.774 45.425 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 20.421 -28.427 45.540 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 24.031 -30.094 48.477 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 24.635 -29.684 47.820 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 23.164 -29.756 48.239 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.508 -22.502 37.447 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 21.526 -22.515 37.418 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 22.749 -21.720 36.913 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 22.845 -22.484 30.521 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.997 -22.527 31.008 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 23.198 -23.393 30.579 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 23.121 -25.135 33.494 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 23.423 -25.083 32.567 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 23.010 -24.203 33.762 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.605 -34.349 44.916 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 23.751 -35.246 45.292 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 22.704 -34.119 45.204 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 28.122 -34.002 43.044 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 27.879 -34.780 43.583 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 27.729 -33.247 43.524 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 29.624 -31.608 48.611 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 28.912 -31.281 49.195 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 29.316 -32.490 48.332 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.342 -35.054 40.554 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 29.168 -34.704 40.216 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 28.224 -34.594 41.422 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 22.960 -24.877 38.629 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 22.912 -24.023 38.129 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 23.753 -24.789 39.167 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 21.920 -33.938 34.183 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.291 -34.244 34.867 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 22.176 -33.041 34.479 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.459 -27.272 37.335 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 22.618 -26.402 37.761 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 23.201 -27.835 37.661 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.778 -25.077 36.727 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 19.100 -25.224 37.636 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 19.293 -25.699 36.190 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 25.806 -25.083 28.561 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 25.465 -25.959 28.846 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 26.326 -25.286 27.758 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 16.561 -31.119 48.476 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 15.801 -30.501 48.433 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 16.430 -31.708 47.708 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.910 -25.138 30.758 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 24.662 -24.865 30.205 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 23.803 -26.083 30.558 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 25.525 -28.897 46.495 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 24.779 -28.464 46.024 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 26.329 -28.461 46.133 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 24.906 -27.588 29.098 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.655 -27.792 28.173 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 25.431 -28.360 29.371 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 24.944 -33.217 42.759 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 25.626 -32.735 43.268 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 24.384 -33.631 43.447 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 26.849 -31.176 47.140 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 27.055 -30.934 48.066 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 26.366 -30.397 46.795 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 26.632 -34.293 50.245 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 26.147 -33.456 50.378 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 27.117 -34.153 49.400 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 27.788 -33.612 47.872 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 27.368 -34.237 47.237 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 27.497 -32.730 47.558 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 22.222 -35.880 48.287 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.417 -36.448 48.357 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.977 -35.213 47.615 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 28.184 -41.263 45.823 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 27.360 -41.537 45.355 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 28.457 -42.053 46.296 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 23.969 -36.642 46.275 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 23.446 -36.540 47.095 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 24.845 -36.962 46.588 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 26.069 -19.443 30.613 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 25.899 -20.114 31.299 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 26.179 -18.607 31.120 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 18.527 -27.261 34.490 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 17.677 -26.871 34.778 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 18.271 -28.135 34.112 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 19.039 -20.262 35.895 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 19.622 -19.553 36.216 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.338 -19.793 35.401 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 19.760 -22.521 37.322 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 19.452 -21.719 36.839 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 19.238 -23.250 36.931 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 19.613 -27.216 40.077 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 19.873 -26.285 39.897 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 19.694 -27.655 39.209 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 17.733 -36.403 45.638 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 17.284 -36.268 44.777 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 17.299 -35.758 46.233 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 27.199 -36.457 44.052 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 27.564 -37.276 44.453 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.916 -36.733 43.155 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 26.502 -36.908 41.392 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 25.682 -36.438 41.170 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 27.213 -36.330 41.034 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 25.088 -33.551 37.240 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 25.694 -34.310 37.098 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 24.879 -33.589 38.193 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 24.975 -20.647 32.947 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 24.752 -19.840 33.464 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 25.550 -21.152 33.533 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 21.605 -38.613 45.906 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 22.458 -38.757 46.360 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.596 -39.295 45.198 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.245 -37.985 47.185 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 26.989 -38.080 46.556 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.661 -38.127 48.069 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 22.811 -22.308 33.823 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.456 -21.813 33.281 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 22.664 -21.734 34.602 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 24.984 -32.064 50.118 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 24.577 -31.393 49.520 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.315 -32.780 50.162 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 23.698 -34.507 50.181 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 23.270 -35.041 49.476 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 24.585 -34.897 50.271 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 20.055 -9.691 -12.159 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 20.550 -9.846 -11.322 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 20.722 -9.862 -12.862 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 22.386 -9.968 -13.570 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 22.926 -9.447 -12.937 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 23.032 -10.477 -14.069 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 23.653 -8.396 -11.723 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 23.503 -7.806 -10.951 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 24.073 -7.809 -12.390 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 26.022 -7.550 -6.167 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 25.492 -6.983 -6.776 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 26.838 -7.718 -6.653 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 20.749 -7.032 -11.845 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 20.304 -7.902 -11.910 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 21.338 -7.011 -12.608 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 24.384 -6.031 -7.771 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.108 -5.134 -8.023 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.968 -6.603 -8.451 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 24.502 -6.591 -13.603 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 24.736 -6.667 -14.534 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 24.735 -5.686 -13.370 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 22.724 -6.545 -9.949 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.958 -6.746 -10.524 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 22.404 -5.813 -9.377 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 20.059 -10.972 -8.179 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 20.640 -10.572 -8.860 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 19.545 -11.642 -8.671 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 22.700 -9.071 -7.654 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 22.040 -8.587 -7.109 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 23.405 -9.303 -7.019 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 18.217 -13.297 -6.895 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 18.115 -12.998 -7.823 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 18.939 -13.977 -6.943 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.756 -5.053 -10.173 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 20.065 -5.744 -10.792 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 18.834 -4.892 -10.440 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 21.262 -3.794 -5.695 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 21.922 -4.511 -5.542 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 21.763 -2.980 -5.577 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 21.188 -7.891 -5.733 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 21.364 -8.339 -4.881 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 21.602 -7.015 -5.630 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 24.268 -9.691 -5.482 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 24.964 -9.023 -5.631 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 24.369 -9.934 -4.536 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 21.783 -9.857 -10.049 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 22.128 -9.537 -9.177 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 22.506 -9.662 -10.670 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 21.718 -11.251 -5.812 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 21.368 -11.214 -6.725 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 22.568 -10.775 -5.863 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 19.077 -11.474 -5.004 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 18.797 -12.184 -5.622 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.042 -11.400 -5.149 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 20.074 -15.162 -7.219 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 20.906 -15.564 -6.960 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.868 -15.570 -8.093 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 16.976 -4.707 -10.944 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 16.784 -3.821 -10.614 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 16.437 -5.299 -10.366 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 17.446 -14.507 -4.499 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 17.620 -14.210 -5.413 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 18.320 -14.444 -4.061 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 17.645 -10.896 -11.761 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 18.456 -10.343 -11.870 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 17.593 -11.399 -12.582 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 18.952 -5.308 -5.600 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 18.221 -4.656 -5.715 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 19.762 -4.786 -5.757 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 21.778 -4.508 -8.377 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 20.984 -4.574 -8.956 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 21.425 -4.202 -7.524 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 20.571 -10.664 6.065 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 19.911 -10.420 6.738 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 20.039 -11.081 5.350 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 18.347 -8.020 6.327 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 17.450 -7.717 6.599 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 18.253 -8.230 5.366 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 18.951 -14.152 2.410 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 19.324 -15.025 2.659 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 17.992 -14.281 2.461 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 21.077 -13.437 6.377 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.091 -12.459 6.380 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 21.907 -13.687 6.802 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 24.294 -9.275 3.700 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 24.838 -10.031 3.945 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 23.930 -9.516 2.813 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 19.359 -9.750 0.198 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 19.727 -10.651 0.304 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 19.886 -9.204 0.817 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 25.168 -6.905 2.546 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 24.877 -7.686 3.062 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 25.992 -6.640 2.963 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 21.781 -8.562 4.648 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 22.722 -8.795 4.508 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 21.428 -9.300 5.193 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 18.414 -10.099 8.076 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 18.342 -9.326 7.466 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 18.694 -9.713 8.914 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 15.733 -10.778 8.931 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 16.615 -10.713 8.514 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 15.768 -11.615 9.443 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 21.031 -4.678 3.091 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 20.681 -5.299 3.759 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 21.841 -4.338 3.486 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 23.368 -9.799 1.218 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 23.043 -10.578 0.705 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 23.988 -9.354 0.603 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 22.932 -12.866 10.618 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 22.383 -12.095 10.459 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 22.291 -13.602 10.714 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 19.631 -16.717 3.258 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 19.252 -17.120 4.076 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 20.471 -17.173 3.140 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 19.876 -14.003 -3.176 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.646 -13.422 -3.316 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 19.316 -13.505 -2.546 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 20.019 -12.423 0.558 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 19.744 -13.008 1.299 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 19.364 -12.611 -0.149 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 22.440 -11.738 -0.422 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 21.642 -12.076 0.044 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 22.246 -11.898 -1.365 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 17.112 -11.212 -3.175 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 17.848 -11.183 -3.834 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 16.853 -10.272 -3.058 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 27.038 -7.168 -1.766 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 27.787 -7.703 -2.051 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 27.433 -6.527 -1.121 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 19.145 -12.405 4.526 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 19.617 -13.016 5.118 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 19.064 -12.905 3.686 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 15.723 -13.110 10.499 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 16.237 -13.073 11.338 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 15.794 -14.049 10.219 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 28.423 -5.605 -0.053 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 28.698 -4.724 -0.395 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 28.854 -5.669 0.803 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 24.902 -8.456 -0.629 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 25.743 -8.064 -0.950 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 24.410 -7.693 -0.260 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 23.469 -6.383 0.508 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 24.169 -6.423 1.205 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 22.657 -6.215 1.004 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 20.930 -14.748 11.006 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 20.152 -14.780 10.414 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 20.943 -15.633 11.432 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 16.837 -2.877 8.220 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 16.422 -3.736 8.477 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 17.802 -3.054 8.276 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 25.105 -6.605 -3.716 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 25.533 -6.971 -4.521 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 25.790 -6.695 -3.019 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 22.835 -6.390 -2.169 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 23.679 -6.402 -2.675 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.118 -6.312 -1.231 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 29.299 -3.164 -0.905 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 30.089 -2.902 -1.387 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 28.707 -2.408 -0.986 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 21.047 -8.480 1.989 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 21.838 -8.922 1.615 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 21.270 -8.362 2.936 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 15.301 -12.648 -4.623 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 15.865 -12.063 -4.083 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 15.804 -13.474 -4.676 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 21.915 -8.819 -3.219 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 22.151 -7.972 -2.797 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 22.735 -9.351 -3.157 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 17.795 -10.356 11.729 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 17.380 -11.217 11.900 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 18.579 -10.355 12.311 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 21.647 -11.735 -3.090 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 21.813 -11.744 -4.055 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 21.359 -10.822 -2.911 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 24.307 -10.129 -2.741 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 24.165 -10.993 -2.327 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 24.603 -9.554 -2.001 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 20.957 -15.862 15.484 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 20.164 -15.695 16.027 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 21.135 -16.823 15.609 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 28.295 -16.830 18.065 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 27.511 -16.267 17.902 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 28.542 -17.152 17.176 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 16.898 -17.987 11.143 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 16.848 -18.856 10.723 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 16.586 -18.151 12.076 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 23.075 -18.493 13.393 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 23.205 -19.364 12.941 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 23.973 -18.185 13.571 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 26.343 -17.878 15.712 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 26.069 -17.104 16.237 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 27.274 -17.685 15.473 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 17.343 -2.335 -0.327 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 18.046 -2.669 0.271 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 17.708 -1.495 -0.680 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 18.448 -8.337 3.632 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 19.211 -8.460 3.047 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 18.042 -7.500 3.323 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 16.910 -11.098 3.144 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 16.553 -10.269 3.512 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 17.639 -11.332 3.744 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 13.325 -19.277 7.844 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 13.861 -18.571 8.226 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 13.096 -19.841 8.603 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 19.533 -15.768 7.011 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 19.256 -15.502 7.910 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 20.077 -15.021 6.701 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 18.611 -14.658 9.366 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 18.357 -13.730 9.292 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 17.766 -15.124 9.539 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 17.778 -20.035 7.220 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 17.316 -20.651 7.814 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 18.677 -19.966 7.601 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.567 -3.215 8.697 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 19.584 -2.372 9.211 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 20.161 -3.798 9.186 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 17.429 -5.807 3.146 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 17.918 -4.982 3.016 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 16.927 -5.658 3.970 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 20.354 -6.345 5.351 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 19.614 -6.836 5.766 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.985 -7.052 5.087 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 19.345 -16.135 -9.645 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 19.612 -16.700 -10.375 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 18.489 -15.756 -9.934 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 20.946 -16.937 12.668 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 21.747 -17.478 12.860 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 20.593 -16.720 13.547 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 21.357 -18.573 15.566 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 21.914 -18.654 14.764 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 21.817 -19.126 16.231 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 23.035 -5.801 -5.381 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 23.483 -5.947 -6.243 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 23.716 -6.034 -4.716 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 27.508 -8.403 25.043 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 26.819 -9.084 24.915 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 27.896 -8.619 25.914 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 20.620 -6.831 20.376 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 19.789 -6.476 20.044 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 20.517 -6.803 21.364 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 25.012 -5.018 25.203 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 25.939 -5.228 24.951 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 24.559 -4.885 24.340 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 25.128 -12.642 23.551 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 25.031 -13.604 23.595 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 25.504 -12.481 22.655 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 25.727 -16.007 21.284 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 26.497 -16.597 21.159 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 25.745 -15.794 22.244 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 24.613 -7.519 26.466 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 24.770 -6.593 26.197 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 24.122 -7.904 25.711 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 21.653 -9.389 19.984 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 21.298 -9.830 19.173 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 21.175 -8.537 20.021 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 23.414 -22.277 24.224 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 22.585 -21.869 23.960 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 23.795 -22.609 23.378 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 24.631 -11.115 15.188 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 24.448 -11.777 14.480 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 25.076 -10.398 14.729 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 25.530 -10.350 25.108 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 25.471 -11.174 24.576 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 24.736 -9.836 24.840 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 23.425 -8.469 21.874 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 22.895 -8.942 21.201 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 23.595 -7.599 21.473 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 21.275 -3.702 27.895 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 21.468 -2.740 27.922 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 20.290 -3.749 27.900 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 18.893 -11.053 27.184 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 19.048 -11.297 26.257 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 18.646 -11.903 27.621 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 20.372 -6.618 23.042 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 20.410 -7.385 23.654 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 20.677 -5.877 23.575 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 24.631 -4.291 29.760 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 23.763 -4.721 29.896 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 24.555 -3.876 28.876 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 19.974 -8.533 27.471 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 19.582 -9.432 27.542 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 20.387 -8.381 28.347 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 27.310 -21.789 26.600 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 28.098 -22.373 26.575 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 26.943 -21.853 25.701 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 25.933 -15.548 17.273 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 25.905 -14.961 18.052 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 25.078 -15.373 16.821 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 24.785 -14.213 19.413 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 24.948 -14.906 20.097 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 24.032 -14.554 18.902 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 26.384 -15.073 28.815 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 25.849 -15.545 28.141 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 27.170 -14.754 28.319 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 23.306 -14.822 16.857 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 23.162 -13.853 16.936 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 22.540 -15.135 16.340 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 18.641 -16.471 17.117 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 19.145 -17.261 17.348 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 18.049 -16.767 16.383 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 23.306 -8.908 24.514 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 22.340 -8.788 24.638 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 23.440 -8.773 23.542 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 23.168 -12.063 17.272 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 23.757 -11.847 18.005 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 23.620 -11.684 16.480 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 21.418 -13.816 13.631 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 21.261 -14.527 14.289 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 21.279 -14.252 12.769 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 26.256 -12.604 21.046 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 27.155 -12.837 20.797 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 25.698 -13.029 20.361 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 23.961 -12.835 13.194 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 23.895 -12.845 12.219 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 23.092 -13.169 13.493 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 30.960 -17.133 18.699 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 30.018 -16.889 18.595 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 31.066 -17.260 19.669 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 26.630 -7.913 30.098 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 26.720 -6.938 30.232 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 27.500 -8.270 30.375 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 26.859 -5.319 30.833 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 26.040 -4.952 30.417 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 27.224 -4.579 31.323 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 23.309 -6.186 20.272 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 22.339 -6.341 20.301 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 23.551 -6.375 19.360 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 17.255 -13.121 12.711 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 17.446 -14.093 12.779 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 16.899 -12.887 13.604 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 24.418 -5.043 22.548 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 23.975 -5.338 21.726 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 25.326 -5.355 22.453 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 24.004 -3.454 27.208 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 24.459 -3.937 26.480 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 23.096 -3.815 27.204 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 27.385 -5.851 24.089 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 28.319 -5.684 23.944 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 27.353 -6.791 24.390 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 20.576 -8.680 24.847 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 20.362 -8.518 25.797 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 20.113 -9.517 24.638 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 20.732 -10.714 17.794 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 21.512 -11.233 17.516 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 20.001 -11.067 17.239 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 27.217 -17.811 25.704 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 27.894 -18.257 25.183 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 27.194 -18.315 26.553 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 30.479 -17.792 21.302 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 29.500 -17.791 21.253 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 30.693 -18.623 21.739 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 27.794 -17.809 20.637 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 27.211 -18.586 20.529 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 28.000 -17.535 19.717 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 28.290 -9.357 27.526 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 29.099 -9.112 28.003 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 28.105 -10.267 27.829 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 17.563 -15.783 12.952 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 17.474 -16.468 12.275 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 17.356 -16.255 13.798 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 19.563 -11.782 13.420 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 20.350 -12.364 13.513 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 18.859 -12.381 13.108 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 21.506 -5.224 32.496 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 21.737 -4.320 32.734 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 21.724 -5.281 31.536 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 17.842 -14.376 36.323 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 17.392 -13.778 35.679 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 17.237 -14.391 37.098 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 30.400 -10.128 29.201 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 30.707 -10.878 29.748 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 29.987 -9.519 29.845 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 28.913 -17.105 15.304 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 29.869 -17.209 15.531 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 28.894 -16.321 14.741 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 31.485 -16.772 16.050 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 31.398 -16.829 17.029 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 32.431 -16.828 15.895 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 31.102 -12.408 30.642 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 30.756 -13.304 30.417 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 32.059 -12.519 30.638 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 30.367 -14.974 30.094 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 30.905 -15.771 30.032 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 29.522 -15.286 30.508 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 30.215 -11.873 27.076 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 30.340 -11.204 27.783 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 30.378 -11.388 26.261 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 23.826 -25.186 24.132 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 23.678 -24.812 23.219 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 23.728 -24.418 24.716 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 24.731 -14.964 32.573 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 24.062 -14.254 32.570 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 25.099 -14.945 33.486 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 27.991 -15.927 30.939 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 27.472 -16.476 31.557 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 27.348 -15.678 30.246 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 26.859 -19.321 27.960 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 26.772 -19.397 28.934 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 27.048 -20.233 27.664 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 21.850 -17.387 26.309 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 22.578 -17.671 25.714 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 21.329 -16.769 25.766 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 18.090 -13.600 24.165 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 18.545 -14.360 24.554 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 17.326 -13.997 23.681 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 18.560 -3.871 28.081 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 18.378 -4.839 28.027 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 17.700 -3.478 28.242 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 22.464 -1.230 27.732 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 22.769 -0.418 27.324 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 23.204 -1.859 27.601 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 25.063 -16.442 26.751 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 25.875 -16.944 26.538 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 24.469 -16.633 26.006 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 26.252 -15.597 23.968 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 26.446 -16.389 24.505 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 26.840 -14.921 24.324 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 33.816 -22.078 20.052 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 34.392 -21.436 19.633 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 32.925 -21.876 19.691 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 20.202 -14.968 37.588 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 19.363 -14.823 37.104 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 19.960 -15.608 38.290 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 22.000 -15.156 35.464 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 22.005 -14.274 35.026 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 21.391 -15.042 36.224 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 28.765 -13.935 28.042 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 29.367 -14.335 28.702 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 29.345 -13.324 27.530 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 19.678 -12.247 36.032 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 19.052 -11.653 35.589 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 19.152 -13.045 36.217 1.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1259 26.032 -17.350 32.370 1.00 0.00 WAT1 ATOM 5756 H1 TIP3 1259 25.580 -16.476 32.296 1.00 0.00 WAT1 ATOM 5757 H2 TIP3 1259 25.645 -17.744 33.172 1.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1260 21.749 -12.678 34.292 1.00 0.00 WAT1 ATOM 5759 H1 TIP3 1260 20.957 -12.544 34.856 1.00 0.00 WAT1 ATOM 5760 H2 TIP3 1260 22.212 -11.807 34.325 1.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1261 18.557 -16.604 39.152 1.00 0.00 WAT1 ATOM 5762 H1 TIP3 1261 17.854 -15.931 39.053 1.00 0.00 WAT1 ATOM 5763 H2 TIP3 1261 18.089 -17.449 39.052 1.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1262 23.254 -14.468 39.445 1.00 0.00 WAT1 ATOM 5765 H1 TIP3 1262 22.845 -13.799 38.847 1.00 0.00 WAT1 ATOM 5766 H2 TIP3 1262 23.726 -13.942 40.096 1.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1263 21.813 -12.789 37.866 1.00 0.00 WAT1 ATOM 5768 H1 TIP3 1263 21.409 -12.118 37.295 1.00 0.00 WAT1 ATOM 5769 H2 TIP3 1263 21.176 -13.534 37.842 1.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1264 23.105 -12.834 31.886 1.00 0.00 WAT1 ATOM 5771 H1 TIP3 1264 22.461 -12.783 32.630 1.00 0.00 WAT1 ATOM 5772 H2 TIP3 1264 22.542 -12.922 31.087 1.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1265 21.784 -17.616 34.266 1.00 0.00 WAT1 ATOM 5774 H1 TIP3 1265 21.273 -17.987 35.010 1.00 0.00 WAT1 ATOM 5775 H2 TIP3 1265 21.794 -16.651 34.445 1.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1266 24.894 -10.729 32.184 1.00 0.00 WAT1 ATOM 5777 H1 TIP3 1266 25.669 -11.172 31.806 1.00 0.00 WAT1 ATOM 5778 H2 TIP3 1266 24.188 -11.409 32.141 1.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1267 20.852 -7.968 30.030 1.00 0.00 WAT1 ATOM 5780 H1 TIP3 1267 19.886 -7.902 30.213 1.00 0.00 WAT1 ATOM 5781 H2 TIP3 1267 21.248 -8.090 30.904 1.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1268 22.084 -5.427 29.841 1.00 0.00 WAT1 ATOM 5783 H1 TIP3 1268 21.712 -6.308 29.643 1.00 0.00 WAT1 ATOM 5784 H2 TIP3 1268 21.743 -4.853 29.114 1.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1269 24.554 -8.009 32.015 1.00 0.00 WAT1 ATOM 5786 H1 TIP3 1269 24.747 -8.967 32.080 1.00 0.00 WAT1 ATOM 5787 H2 TIP3 1269 25.219 -7.677 31.388 1.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1270 22.924 -10.240 34.173 1.00 0.00 WAT1 ATOM 5789 H1 TIP3 1270 23.745 -10.212 33.654 1.00 0.00 WAT1 ATOM 5790 H2 TIP3 1270 22.647 -9.303 34.233 1.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1271 23.974 -16.721 36.558 1.00 0.00 WAT1 ATOM 5792 H1 TIP3 1271 23.294 -16.141 36.144 1.00 0.00 WAT1 ATOM 5793 H2 TIP3 1271 23.616 -16.904 37.449 1.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1272 22.295 -16.954 38.843 1.00 0.00 WAT1 ATOM 5795 H1 TIP3 1272 22.625 -16.043 39.038 1.00 0.00 WAT1 ATOM 5796 H2 TIP3 1272 21.845 -17.218 39.654 1.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1273 22.439 -7.537 33.673 1.00 0.00 WAT1 ATOM 5798 H1 TIP3 1273 23.256 -7.645 33.137 1.00 0.00 WAT1 ATOM 5799 H2 TIP3 1273 22.117 -6.646 33.436 1.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1274 27.309 -11.666 28.666 1.00 0.00 WAT1 ATOM 5801 H1 TIP3 1274 26.859 -12.022 29.466 1.00 0.00 WAT1 ATOM 5802 H2 TIP3 1274 27.855 -12.417 28.350 1.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1275 29.053 -8.661 31.138 1.00 0.00 WAT1 ATOM 5804 H1 TIP3 1275 29.218 -7.939 31.755 1.00 0.00 WAT1 ATOM 5805 H2 TIP3 1275 29.138 -9.475 31.690 1.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1276 25.839 -12.984 30.529 1.00 0.00 WAT1 ATOM 5807 H1 TIP3 1276 25.152 -13.298 31.137 1.00 0.00 WAT1 ATOM 5808 H2 TIP3 1276 26.035 -13.770 29.970 1.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1277 29.498 -10.989 32.394 1.00 0.00 WAT1 ATOM 5810 H1 TIP3 1277 29.217 -11.609 33.073 1.00 0.00 WAT1 ATOM 5811 H2 TIP3 1277 30.075 -11.522 31.806 1.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1278 19.585 -7.292 32.774 1.00 0.00 WAT1 ATOM 5813 H1 TIP3 1278 20.060 -6.452 32.636 1.00 0.00 WAT1 ATOM 5814 H2 TIP3 1278 20.078 -7.729 33.480 1.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1279 18.633 -17.050 36.035 1.00 0.00 WAT1 ATOM 5816 H1 TIP3 1279 18.353 -16.119 35.913 1.00 0.00 WAT1 ATOM 5817 H2 TIP3 1279 18.059 -17.558 35.410 1.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1280 20.913 -18.277 36.835 1.00 0.00 WAT1 ATOM 5819 H1 TIP3 1280 20.106 -17.722 36.716 1.00 0.00 WAT1 ATOM 5820 H2 TIP3 1280 21.412 -17.821 37.549 1.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1281 22.729 -20.283 35.842 1.00 0.00 WAT1 ATOM 5822 H1 TIP3 1281 23.378 -19.665 35.469 1.00 0.00 WAT1 ATOM 5823 H2 TIP3 1281 22.047 -19.702 36.240 1.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1282 25.768 -15.265 35.103 1.00 0.00 WAT1 ATOM 5825 H1 TIP3 1282 25.212 -15.774 35.730 1.00 0.00 WAT1 ATOM 5826 H2 TIP3 1282 26.462 -14.890 35.652 1.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1283 19.021 -4.137 6.154 1.00 0.00 WAT1 ATOM 5828 H1 TIP3 1283 19.335 -3.796 7.017 1.00 0.00 WAT1 ATOM 5829 H2 TIP3 1283 19.642 -4.873 5.945 1.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1284 18.027 -2.942 3.895 1.00 0.00 WAT1 ATOM 5831 H1 TIP3 1284 17.333 -2.457 4.383 1.00 0.00 WAT1 ATOM 5832 H2 TIP3 1284 18.593 -3.316 4.604 1.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1285 15.500 1.629 3.016 1.00 0.00 WAT1 ATOM 5834 H1 TIP3 1285 15.866 1.112 3.758 1.00 0.00 WAT1 ATOM 5835 H2 TIP3 1285 16.114 1.450 2.269 1.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1286 16.993 1.469 0.662 1.00 0.00 WAT1 ATOM 5837 H1 TIP3 1286 17.765 2.038 0.751 1.00 0.00 WAT1 ATOM 5838 H2 TIP3 1286 17.230 0.859 -0.072 1.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1287 19.265 -0.972 10.240 1.00 0.00 WAT1 ATOM 5840 H1 TIP3 1287 18.455 -0.545 9.896 1.00 0.00 WAT1 ATOM 5841 H2 TIP3 1287 19.469 -0.480 11.043 1.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1288 19.182 -3.367 1.457 1.00 0.00 WAT1 ATOM 5843 H1 TIP3 1288 19.970 -3.832 1.807 1.00 0.00 WAT1 ATOM 5844 H2 TIP3 1288 18.732 -3.032 2.263 1.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1289 14.723 -2.715 -0.758 1.00 0.00 WAT1 ATOM 5846 H1 TIP3 1289 14.382 -1.786 -0.829 1.00 0.00 WAT1 ATOM 5847 H2 TIP3 1289 15.696 -2.601 -0.617 1.00 0.00 WAT1 END