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: -951.452, 80.7666, 104.777, 45.2677, 562.958, -620.371, -1127.01, 1.98513, 0.169952 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.356374E-03,0.435929,1.1108,42.364,3.318065E-03,0.136372 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 39, 6 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:13 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 26.974 -20.594 7.117 1.00 42.22 ATOM 2 CB MET 1 26.224 -19.215 8.578 1.00 21.45 ATOM 3 HB1 MET 1 26.377 -19.915 9.390 1.00 37.80 ATOM 4 HB2 MET 1 25.205 -19.309 8.229 1.00 52.23 ATOM 5 CG MET 1 26.411 -17.806 9.126 1.00 24.35 ATOM 6 HG1 MET 1 26.250 -17.097 8.327 1.00 37.80 ATOM 7 HG2 MET 1 27.423 -17.708 9.493 1.00 64.03 ATOM 8 SD MET 1 25.272 -17.424 10.475 1.00 53.22 ATOM 9 CE MET 1 25.786 -15.757 10.892 1.00 33.42 ATOM 10 HE1 MET 1 25.182 -15.389 11.709 1.00 55.24 ATOM 11 HE2 MET 1 25.659 -15.114 10.034 1.00 11.15 ATOM 12 HE3 MET 1 26.825 -15.763 11.187 1.00 72.05 ATOM 13 C MET 1 26.945 -18.655 6.221 1.00 63.41 ATOM 14 O MET 1 25.825 -18.547 5.726 1.00 60.31 ATOM 15 N MET 1 28.598 -19.537 7.896 1.00 63.12 ATOM 16 HT1 MET 1 28.856 -18.572 8.189 1.00 37.80 ATOM 17 HT2 MET 1 29.241 -19.837 7.135 1.00 37.80 ATOM 18 HT3 MET 1 28.726 -20.177 8.705 1.00 37.80 ATOM 19 CA MET 1 27.182 -19.581 7.428 1.00 21.23 ATOM 20 N GLY 2 28.000 -17.998 5.742 1.00 62.32 ATOM 21 HN GLY 2 28.868 -18.099 6.181 1.00 37.80 ATOM 22 CA GLY 2 27.883 -17.127 4.574 1.00 42.50 ATOM 23 HA1 GLY 2 26.849 -17.097 4.258 1.00 37.80 ATOM 24 HA2 GLY 2 28.476 -17.544 3.774 1.00 13.42 ATOM 25 C GLY 2 28.354 -15.702 4.844 1.00 32.45 ATOM 26 O GLY 2 27.844 -15.032 5.743 1.00 51.13 ATOM 27 N HIS 3 29.330 -15.234 4.061 1.00 4.21 ATOM 28 HN HIS 3 29.691 -15.811 3.354 1.00 37.80 ATOM 29 CA HIS 3 29.879 -13.882 4.231 1.00 25.24 ATOM 30 HA HIS 3 30.135 -13.762 5.275 1.00 22.24 ATOM 31 CB HIS 3 31.152 -13.717 3.387 1.00 54.55 ATOM 32 HB1 HIS 3 30.886 -13.740 2.338 1.00 37.80 ATOM 33 HB2 HIS 3 31.824 -14.536 3.598 1.00 63.35 ATOM 34 CG HIS 3 31.896 -12.439 3.646 1.00 64.41 ATOM 35 ND1 HIS 3 32.475 -11.682 2.650 1.00 32.15 ATOM 36 HD1 HIS 3 32.468 -11.890 1.687 1.00 2.14 ATOM 37 CD2 HIS 3 32.163 -11.789 4.805 1.00 64.01 ATOM 38 HD2 HIS 3 31.860 -12.094 5.796 1.00 13.10 ATOM 39 CE1 HIS 3 33.064 -10.631 3.185 1.00 44.32 ATOM 40 HE1 HIS 3 33.598 -9.863 2.645 1.00 12.22 ATOM 41 NE2 HIS 3 32.888 -10.671 4.486 1.00 31.45 ATOM 42 HE2 HIS 3 33.088 -9.933 5.098 1.00 37.80 ATOM 43 C HIS 3 28.838 -12.810 3.855 1.00 45.41 ATOM 44 O HIS 3 28.756 -11.759 4.491 1.00 1.20 ATOM 45 N HIS 4 28.072 -13.076 2.797 1.00 41.44 ATOM 46 HN HIS 4 28.287 -13.858 2.247 1.00 37.80 ATOM 47 CA HIS 4 26.934 -12.225 2.409 1.00 34.11 ATOM 48 HA HIS 4 26.815 -11.459 3.163 1.00 32.11 ATOM 49 CB HIS 4 27.190 -11.555 1.053 1.00 25.24 ATOM 50 HB1 HIS 4 26.315 -10.986 0.771 1.00 37.80 ATOM 51 HB2 HIS 4 27.365 -12.320 0.309 1.00 54.15 ATOM 52 CG HIS 4 28.366 -10.626 1.041 1.00 22.12 ATOM 53 ND1 HIS 4 28.298 -9.327 1.490 1.00 15.34 ATOM 54 HD1 HIS 4 27.507 -8.893 1.875 1.00 53.21 ATOM 55 CD2 HIS 4 29.641 -10.805 0.618 1.00 31.43 ATOM 56 HD2 HIS 4 30.061 -11.714 0.208 1.00 13.34 ATOM 57 CE1 HIS 4 29.470 -8.747 1.340 1.00 42.12 ATOM 58 HE1 HIS 4 29.709 -7.729 1.608 1.00 23.53 ATOM 59 NE2 HIS 4 30.303 -9.620 0.815 1.00 31.22 ATOM 60 HE2 HIS 4 31.177 -9.391 0.428 1.00 37.80 ATOM 61 C HIS 4 25.631 -13.040 2.328 1.00 70.33 ATOM 62 O HIS 4 24.537 -12.500 2.496 1.00 40.32 ATOM 63 N HIS 5 25.760 -14.338 2.051 1.00 60.01 ATOM 64 HN HIS 5 26.656 -14.710 1.938 1.00 37.80 ATOM 65 CA HIS 5 24.600 -15.224 1.891 1.00 24.42 ATOM 66 HA HIS 5 23.967 -14.793 1.127 1.00 15.10 ATOM 67 CB HIS 5 25.067 -16.610 1.418 1.00 42.34 ATOM 68 HB1 HIS 5 25.604 -17.094 2.222 1.00 37.80 ATOM 69 HB2 HIS 5 25.731 -16.490 0.574 1.00 72.01 ATOM 70 CG HIS 5 23.954 -17.519 0.994 1.00 43.42 ATOM 71 ND1 HIS 5 23.968 -18.879 1.210 1.00 65.31 ATOM 72 HD1 HIS 5 24.684 -19.382 1.656 1.00 25.50 ATOM 73 CD2 HIS 5 22.796 -17.260 0.341 1.00 43.30 ATOM 74 HD2 HIS 5 22.453 -16.292 0.004 1.00 44.13 ATOM 75 CE1 HIS 5 22.874 -19.414 0.712 1.00 32.43 ATOM 76 HE1 HIS 5 22.619 -20.463 0.733 1.00 74.44 ATOM 77 NE2 HIS 5 22.146 -18.457 0.181 1.00 13.24 ATOM 78 HE2 HIS 5 21.356 -18.601 -0.384 1.00 37.80 ATOM 79 C HIS 5 23.786 -15.334 3.197 1.00 13.23 ATOM 80 O HIS 5 24.168 -16.043 4.128 1.00 11.45 ATOM 81 N HIS 6 22.659 -14.628 3.243 1.00 14.03 ATOM 82 HN HIS 6 22.375 -14.142 2.438 1.00 37.80 ATOM 83 CA HIS 6 21.829 -14.545 4.451 1.00 72.11 ATOM 84 HA HIS 6 22.492 -14.494 5.305 1.00 44.44 ATOM 85 CB HIS 6 20.990 -13.261 4.405 1.00 73.53 ATOM 86 HB1 HIS 6 20.353 -13.287 3.532 1.00 37.80 ATOM 87 HB2 HIS 6 21.652 -12.410 4.331 1.00 4.03 ATOM 88 CG HIS 6 20.119 -13.054 5.607 1.00 25.34 ATOM 89 ND1 HIS 6 20.619 -12.690 6.836 1.00 32.42 ATOM 90 HD1 HIS 6 21.568 -12.555 7.051 1.00 5.44 ATOM 91 CD2 HIS 6 18.776 -13.151 5.766 1.00 1.15 ATOM 92 HD2 HIS 6 18.056 -13.422 5.005 1.00 52.41 ATOM 93 CE1 HIS 6 19.629 -12.571 7.696 1.00 21.44 ATOM 94 HE1 HIS 6 19.727 -12.296 8.735 1.00 63.54 ATOM 95 NE2 HIS 6 18.502 -12.845 7.075 1.00 62.25 ATOM 96 HE2 HIS 6 17.607 -12.687 7.445 1.00 37.80 ATOM 97 C HIS 6 20.911 -15.773 4.608 1.00 24.31 ATOM 98 O HIS 6 20.209 -16.161 3.675 1.00 62.03 ATOM 99 N HIS 7 20.910 -16.366 5.802 1.00 63.34 ATOM 100 HN HIS 7 21.498 -16.012 6.507 1.00 37.80 ATOM 101 CA HIS 7 20.066 -17.535 6.102 1.00 53.21 ATOM 102 HA HIS 7 19.528 -17.800 5.199 1.00 13.30 ATOM 103 CB HIS 7 20.932 -18.730 6.524 1.00 22.30 ATOM 104 HB1 HIS 7 20.301 -19.482 6.978 1.00 37.80 ATOM 105 HB2 HIS 7 21.657 -18.396 7.252 1.00 24.00 ATOM 106 CG HIS 7 21.682 -19.376 5.401 1.00 43.44 ATOM 107 ND1 HIS 7 21.178 -20.429 4.667 1.00 61.33 ATOM 108 HD1 HIS 7 20.297 -20.843 4.788 1.00 74.03 ATOM 109 CD2 HIS 7 22.915 -19.135 4.903 1.00 2.22 ATOM 110 HD2 HIS 7 23.602 -18.370 5.237 1.00 44.24 ATOM 111 CE1 HIS 7 22.067 -20.806 3.775 1.00 5.43 ATOM 112 HE1 HIS 7 21.946 -21.610 3.063 1.00 34.33 ATOM 113 NE2 HIS 7 23.133 -20.041 3.893 1.00 64.53 ATOM 114 HE2 HIS 7 24.022 -20.290 3.556 1.00 37.80 ATOM 115 C HIS 7 19.046 -17.240 7.212 1.00 72.04 ATOM 116 O HIS 7 19.413 -17.054 8.371 1.00 12.32 ATOM 117 N HIS 8 17.764 -17.204 6.851 1.00 34.14 ATOM 118 HN HIS 8 17.536 -17.264 5.897 1.00 37.80 ATOM 119 CA HIS 8 16.684 -17.072 7.838 1.00 72.33 ATOM 120 HA HIS 8 16.887 -17.771 8.638 1.00 24.24 ATOM 121 CB HIS 8 16.634 -15.651 8.420 1.00 44.05 ATOM 122 HB1 HIS 8 16.312 -14.963 7.651 1.00 37.80 ATOM 123 HB2 HIS 8 17.623 -15.370 8.756 1.00 73.03 ATOM 124 CG HIS 8 15.694 -15.524 9.585 1.00 33.13 ATOM 125 ND1 HIS 8 14.352 -15.243 9.448 1.00 32.54 ATOM 126 HD1 HIS 8 13.880 -15.076 8.602 1.00 63.43 ATOM 127 CD2 HIS 8 15.905 -15.675 10.917 1.00 22.23 ATOM 128 HD2 HIS 8 16.847 -15.901 11.394 1.00 34.30 ATOM 129 CE1 HIS 8 13.782 -15.225 10.636 1.00 52.34 ATOM 130 HE1 HIS 8 12.736 -15.032 10.830 1.00 32.42 ATOM 131 NE2 HIS 8 14.698 -15.486 11.545 1.00 23.42 ATOM 132 HE2 HIS 8 14.500 -15.754 12.471 1.00 37.80 ATOM 133 C HIS 8 15.327 -17.428 7.213 1.00 53.00 ATOM 134 O HIS 8 14.930 -16.847 6.203 1.00 35.45 ATOM 135 N SER 9 14.626 -18.383 7.817 1.00 5.33 ATOM 136 HN SER 9 14.997 -18.816 8.611 1.00 37.80 ATOM 137 CA SER 9 13.315 -18.824 7.319 1.00 64.14 ATOM 138 HA SER 9 13.432 -19.109 6.284 1.00 15.02 ATOM 139 CB SER 9 12.836 -20.044 8.120 1.00 14.21 ATOM 140 HB1 SER 9 11.947 -20.451 7.657 1.00 37.80 ATOM 141 HB2 SER 9 12.608 -19.743 9.131 1.00 12.35 ATOM 142 OG SER 9 13.833 -21.055 8.161 1.00 45.05 ATOM 143 HG SER 9 13.410 -21.919 8.255 1.00 52.03 ATOM 144 C SER 9 12.266 -17.704 7.410 1.00 12.02 ATOM 145 O SER 9 12.387 -16.791 8.230 1.00 74.02 ATOM 146 N HIS 10 11.237 -17.781 6.565 1.00 13.44 ATOM 147 HN HIS 10 11.216 -18.510 5.907 1.00 37.80 ATOM 148 CA HIS 10 10.141 -16.802 6.588 1.00 22.33 ATOM 149 HA HIS 10 10.563 -15.824 6.399 1.00 15.22 ATOM 150 CB HIS 10 9.109 -17.123 5.497 1.00 74.54 ATOM 151 HB1 HIS 10 8.373 -16.332 5.464 1.00 37.80 ATOM 152 HB2 HIS 10 8.615 -18.052 5.743 1.00 22.45 ATOM 153 CG HIS 10 9.694 -17.267 4.125 1.00 41.23 ATOM 154 ND1 HIS 10 9.453 -18.356 3.317 1.00 74.35 ATOM 155 HD1 HIS 10 8.896 -19.133 3.550 1.00 35.42 ATOM 156 CD2 HIS 10 10.492 -16.442 3.406 1.00 1.14 ATOM 157 HD2 HIS 10 10.881 -15.487 3.729 1.00 1.01 ATOM 158 CE1 HIS 10 10.073 -18.198 2.169 1.00 53.22 ATOM 159 HE1 HIS 10 10.062 -18.896 1.345 1.00 44.30 ATOM 160 NE2 HIS 10 10.711 -17.045 2.192 1.00 14.13 ATOM 161 HE2 HIS 10 11.038 -16.579 1.388 1.00 37.80 ATOM 162 C HIS 10 9.447 -16.792 7.961 1.00 33.23 ATOM 163 O HIS 10 9.275 -15.738 8.584 1.00 73.24 ATOM 164 N MET 11 9.049 -17.977 8.418 1.00 61.23 ATOM 165 HN MET 11 9.169 -18.766 7.844 1.00 37.80 ATOM 166 CA MET 11 8.436 -18.152 9.739 1.00 62.00 ATOM 167 HA MET 11 8.644 -17.266 10.323 1.00 1.41 ATOM 168 CB MET 11 6.913 -18.317 9.600 1.00 43.43 ATOM 169 HB1 MET 11 6.711 -19.227 9.051 1.00 37.80 ATOM 170 HB2 MET 11 6.523 -17.480 9.039 1.00 12.12 ATOM 171 CG MET 11 6.168 -18.387 10.928 1.00 12.52 ATOM 172 HG1 MET 11 6.391 -17.498 11.502 1.00 37.80 ATOM 173 HG2 MET 11 6.506 -19.257 11.472 1.00 24.21 ATOM 174 SD MET 11 4.381 -18.503 10.714 1.00 10.22 ATOM 175 CE MET 11 3.833 -18.527 12.423 1.00 74.24 ATOM 176 HE1 MET 11 4.148 -17.618 12.915 1.00 14.23 ATOM 177 HE2 MET 11 4.263 -19.378 12.928 1.00 22.04 ATOM 178 HE3 MET 11 2.755 -18.598 12.455 1.00 12.31 ATOM 179 C MET 11 9.055 -19.368 10.451 1.00 32.10 ATOM 180 O MET 11 8.696 -20.515 10.178 1.00 44.31 ATOM 181 N ASN 12 9.999 -19.105 11.348 1.00 43.22 ATOM 182 HN ASN 12 10.201 -18.169 11.564 1.00 37.80 ATOM 183 CA ASN 12 10.754 -20.164 12.024 1.00 25.51 ATOM 184 HA ASN 12 11.074 -20.874 11.273 1.00 24.32 ATOM 185 CB ASN 12 11.996 -19.554 12.686 1.00 22.33 ATOM 186 HB1 ASN 12 11.686 -18.934 13.515 1.00 37.80 ATOM 187 HB2 ASN 12 12.513 -18.939 11.963 1.00 5.15 ATOM 188 CG ASN 12 12.974 -20.593 13.206 1.00 22.51 ATOM 189 OD1 ASN 12 12.608 -21.722 13.499 1.00 21.33 ATOM 190 ND2 ASN 12 14.222 -20.202 13.364 1.00 50.55 ATOM 191 HD21 ASN 12 14.448 -19.271 13.147 1.00 44.44 ATOM 192 HD22 ASN 12 14.870 -20.860 13.686 1.00 12.42 ATOM 193 C ASN 12 9.895 -20.897 13.073 1.00 72.05 ATOM 194 O ASN 12 9.470 -20.306 14.071 1.00 0.20 ATOM 195 N SER 13 9.660 -22.190 12.845 1.00 3.20 ATOM 196 HN SER 13 10.008 -22.596 12.023 1.00 37.80 ATOM 197 CA SER 13 8.879 -23.022 13.775 1.00 72.13 ATOM 198 HA SER 13 7.892 -22.586 13.851 1.00 22.44 ATOM 199 CB SER 13 8.743 -24.453 13.234 1.00 2.04 ATOM 200 HB1 SER 13 8.160 -25.044 13.926 1.00 37.80 ATOM 201 HB2 SER 13 9.725 -24.889 13.129 1.00 1.11 ATOM 202 OG SER 13 8.102 -24.469 11.968 1.00 60.12 ATOM 203 HG SER 13 7.510 -25.232 11.915 1.00 12.33 ATOM 204 C SER 13 9.507 -23.059 15.179 1.00 52.01 ATOM 205 O SER 13 8.810 -23.251 16.175 1.00 2.32 ATOM 206 N ALA 14 10.823 -22.881 15.254 1.00 70.43 ATOM 207 HN ALA 14 11.339 -22.778 14.425 1.00 37.80 ATOM 208 CA ALA 14 11.528 -22.842 16.541 1.00 3.31 ATOM 209 HA ALA 14 11.137 -23.642 17.156 1.00 52.43 ATOM 210 CB ALA 14 13.017 -23.093 16.334 1.00 54.33 ATOM 211 HB1 ALA 14 13.157 -24.036 15.823 1.00 64.32 ATOM 212 HB2 ALA 14 13.517 -23.127 17.292 1.00 21.51 ATOM 213 HB3 ALA 14 13.440 -22.297 15.737 1.00 34.24 ATOM 214 C ALA 14 11.305 -21.508 17.267 1.00 75.35 ATOM 215 O ALA 14 10.972 -21.484 18.453 1.00 61.32 ATOM 216 N GLU 15 11.475 -20.402 16.543 1.00 43.01 ATOM 217 HN GLU 15 11.702 -20.487 15.594 1.00 37.80 ATOM 218 CA GLU 15 11.325 -19.059 17.124 1.00 61.35 ATOM 219 HA GLU 15 12.055 -18.975 17.918 1.00 63.34 ATOM 220 CB GLU 15 11.629 -17.982 16.069 1.00 40.23 ATOM 221 HB1 GLU 15 11.328 -17.018 16.456 1.00 37.80 ATOM 222 HB2 GLU 15 11.056 -18.195 15.177 1.00 72.40 ATOM 223 CG GLU 15 13.109 -17.901 15.685 1.00 51.14 ATOM 224 HG1 GLU 15 13.444 -18.889 15.395 1.00 37.80 ATOM 225 HG2 GLU 15 13.671 -17.576 16.549 1.00 33.32 ATOM 226 CD GLU 15 13.385 -16.934 14.541 1.00 21.02 ATOM 227 OE1 GLU 15 12.819 -15.820 14.546 1.00 4.45 ATOM 228 OE2 GLU 15 14.176 -17.281 13.637 1.00 63.44 ATOM 229 C GLU 15 9.926 -18.844 17.730 1.00 53.50 ATOM 230 O GLU 15 9.797 -18.333 18.845 1.00 62.11 ATOM 231 N GLN 16 8.881 -19.245 17.002 1.00 42.34 ATOM 232 HN GLN 16 9.035 -19.605 16.102 1.00 37.80 ATOM 233 CA GLN 16 7.504 -19.148 17.512 1.00 51.25 ATOM 234 HA GLN 16 7.313 -18.107 17.737 1.00 24.32 ATOM 235 CB GLN 16 6.494 -19.622 16.451 1.00 42.40 ATOM 236 HB1 GLN 16 6.612 -19.016 15.564 1.00 37.80 ATOM 237 HB2 GLN 16 5.492 -19.485 16.836 1.00 13.04 ATOM 238 CG GLN 16 6.663 -21.086 16.055 1.00 30.25 ATOM 239 HG1 GLN 16 6.619 -21.690 16.951 1.00 37.80 ATOM 240 HG2 GLN 16 7.630 -21.207 15.592 1.00 15.31 ATOM 241 CD GLN 16 5.601 -21.580 15.083 1.00 70.04 ATOM 242 OE1 GLN 16 5.073 -20.825 14.276 1.00 32.42 ATOM 243 NE2 GLN 16 5.286 -22.860 15.147 1.00 70.13 ATOM 244 HE21 GLN 16 5.742 -23.416 15.811 1.00 44.42 ATOM 245 HE22 GLN 16 4.606 -23.197 14.530 1.00 72.41 ATOM 246 C GLN 16 7.333 -19.968 18.807 1.00 13.33 ATOM 247 O GLN 16 6.598 -19.574 19.713 1.00 1.04 ATOM 248 N THR 17 8.030 -21.104 18.887 1.00 2.52 ATOM 249 HN THR 17 8.597 -21.368 18.133 1.00 37.80 ATOM 250 CA THR 17 7.974 -21.971 20.072 1.00 10.43 ATOM 251 HA THR 17 6.931 -22.130 20.316 1.00 41.32 ATOM 252 CB THR 17 8.622 -23.353 19.800 1.00 13.54 ATOM 253 HB THR 17 9.660 -23.200 19.538 1.00 22.15 ATOM 254 OG1 THR 17 7.957 -23.999 18.704 1.00 34.11 ATOM 255 HG1 THR 17 8.516 -23.960 17.922 1.00 33.24 ATOM 256 CG2 THR 17 8.557 -24.253 21.032 1.00 33.23 ATOM 257 HG21 THR 17 9.009 -25.208 20.806 1.00 22.51 ATOM 258 HG22 THR 17 7.526 -24.403 21.319 1.00 20.05 ATOM 259 HG23 THR 17 9.092 -23.788 21.848 1.00 62.31 ATOM 260 C THR 17 8.666 -21.314 21.275 1.00 74.32 ATOM 261 O THR 17 8.212 -21.446 22.412 1.00 40.51 ATOM 262 N VAL 18 9.761 -20.596 21.015 1.00 34.31 ATOM 263 HN VAL 18 10.106 -20.570 20.097 1.00 37.80 ATOM 264 CA VAL 18 10.463 -19.847 22.067 1.00 43.51 ATOM 265 HA VAL 18 10.868 -20.561 22.772 1.00 25.24 ATOM 266 CB VAL 18 11.636 -19.006 21.488 1.00 22.43 ATOM 267 HB VAL 18 11.223 -18.291 20.787 1.00 52.15 ATOM 268 CG1 VAL 18 12.348 -18.226 22.593 1.00 62.54 ATOM 269 HG11 VAL 18 13.141 -17.630 22.163 1.00 14.30 ATOM 270 HG12 VAL 18 12.768 -18.916 23.310 1.00 1.22 ATOM 271 HG13 VAL 18 11.642 -17.577 23.091 1.00 72.12 ATOM 272 CG2 VAL 18 12.624 -19.893 20.732 1.00 1.43 ATOM 273 HG21 VAL 18 13.033 -20.635 21.403 1.00 60.10 ATOM 274 HG22 VAL 18 13.426 -19.287 20.335 1.00 61.01 ATOM 275 HG23 VAL 18 12.115 -20.389 19.917 1.00 35.30 ATOM 276 C VAL 18 9.497 -18.909 22.808 1.00 14.51 ATOM 277 O VAL 18 9.285 -19.035 24.016 1.00 22.32 ATOM 278 N THR 19 8.896 -17.981 22.065 1.00 73.43 ATOM 279 HN THR 19 9.118 -17.919 21.110 1.00 37.80 ATOM 280 CA THR 19 7.920 -17.041 22.632 1.00 44.30 ATOM 281 HA THR 19 8.419 -16.489 23.420 1.00 2.31 ATOM 282 CB THR 19 7.432 -16.025 21.570 1.00 54.30 ATOM 283 HB THR 19 6.968 -16.568 20.757 1.00 42.44 ATOM 284 OG1 THR 19 8.552 -15.288 21.054 1.00 54.02 ATOM 285 HG1 THR 19 8.233 -14.567 20.495 1.00 73.34 ATOM 286 CG2 THR 19 6.410 -15.049 22.153 1.00 61.44 ATOM 287 HG21 THR 19 6.857 -14.506 22.974 1.00 41.02 ATOM 288 HG22 THR 19 5.549 -15.594 22.511 1.00 74.55 ATOM 289 HG23 THR 19 6.099 -14.351 21.388 1.00 35.14 ATOM 290 C THR 19 6.709 -17.771 23.233 1.00 61.35 ATOM 291 O THR 19 6.132 -17.318 24.221 1.00 33.10 ATOM 292 N TRP 20 6.335 -18.906 22.639 1.00 53.03 ATOM 293 HN TRP 20 6.815 -19.205 21.837 1.00 37.80 ATOM 294 CA TRP 20 5.220 -19.717 23.147 1.00 1.11 ATOM 295 HA TRP 20 4.348 -19.080 23.185 1.00 52.21 ATOM 296 CB TRP 20 4.937 -20.885 22.190 1.00 33.14 ATOM 297 HB1 TRP 20 5.832 -21.485 22.095 1.00 37.80 ATOM 298 HB2 TRP 20 4.676 -20.489 21.219 1.00 13.22 ATOM 299 CG TRP 20 3.817 -21.785 22.635 1.00 71.35 ATOM 300 CD1 TRP 20 2.551 -21.412 22.990 1.00 23.43 ATOM 301 HD1 TRP 20 2.198 -20.392 23.002 1.00 40.01 ATOM 302 CD2 TRP 20 3.865 -23.210 22.757 1.00 60.22 ATOM 303 NE1 TRP 20 1.814 -22.519 23.335 1.00 55.24 ATOM 304 HE1 TRP 20 0.880 -22.512 23.631 1.00 21.24 ATOM 305 CE2 TRP 20 2.598 -23.634 23.199 1.00 61.22 ATOM 306 CE3 TRP 20 4.859 -24.170 22.537 1.00 52.14 ATOM 307 HE3 TRP 20 5.845 -23.885 22.198 1.00 0.53 ATOM 308 CZ2 TRP 20 2.299 -24.974 23.425 1.00 55.23 ATOM 309 HZ2 TRP 20 1.323 -25.293 23.763 1.00 32.14 ATOM 310 CZ3 TRP 20 4.560 -25.499 22.762 1.00 42.10 ATOM 311 HZ3 TRP 20 5.314 -26.255 22.598 1.00 55.43 ATOM 312 CH2 TRP 20 3.290 -25.890 23.200 1.00 53.23 ATOM 313 HH2 TRP 20 3.102 -26.941 23.363 1.00 71.44 ATOM 314 C TRP 20 5.505 -20.239 24.570 1.00 51.31 ATOM 315 O TRP 20 4.632 -20.212 25.439 1.00 71.53 ATOM 316 N LEU 21 6.730 -20.701 24.805 1.00 71.24 ATOM 317 HN LEU 21 7.376 -20.739 24.066 1.00 37.80 ATOM 318 CA LEU 21 7.140 -21.162 26.139 1.00 64.01 ATOM 319 HA LEU 21 6.402 -21.874 26.482 1.00 22.41 ATOM 320 CB LEU 21 8.507 -21.861 26.066 1.00 14.42 ATOM 321 HB1 LEU 21 8.796 -22.152 27.067 1.00 37.80 ATOM 322 HB2 LEU 21 9.233 -21.149 25.696 1.00 63.15 ATOM 323 CG LEU 21 8.561 -23.111 25.173 1.00 33.33 ATOM 324 HG LEU 21 8.315 -22.829 24.158 1.00 4.31 ATOM 325 CD1 LEU 21 9.968 -23.703 25.163 1.00 10.05 ATOM 326 HD11 LEU 21 10.663 -22.974 24.770 1.00 62.42 ATOM 327 HD12 LEU 21 9.985 -24.585 24.541 1.00 25.30 ATOM 328 HD13 LEU 21 10.258 -23.968 26.171 1.00 75.41 ATOM 329 CD2 LEU 21 7.538 -24.148 25.634 1.00 14.35 ATOM 330 HD21 LEU 21 6.544 -23.731 25.563 1.00 53.54 ATOM 331 HD22 LEU 21 7.739 -24.424 26.661 1.00 74.23 ATOM 332 HD23 LEU 21 7.605 -25.025 25.008 1.00 62.51 ATOM 333 C LEU 21 7.198 -19.992 27.137 1.00 43.55 ATOM 334 O LEU 21 6.803 -20.126 28.300 1.00 42.11 ATOM 335 N ILE 22 7.682 -18.844 26.670 1.00 21.35 ATOM 336 HN ILE 22 7.995 -18.806 25.739 1.00 37.80 ATOM 337 CA ILE 22 7.777 -17.638 27.503 1.00 73.13 ATOM 338 HA ILE 22 8.319 -17.897 28.403 1.00 15.44 ATOM 339 CB ILE 22 8.562 -16.520 26.769 1.00 12.25 ATOM 340 HB ILE 22 8.019 -16.266 25.869 1.00 14.34 ATOM 341 CG1 ILE 22 9.967 -17.017 26.382 1.00 12.51 ATOM 342 HG11 ILE 22 9.878 -17.947 25.840 1.00 37.80 ATOM 343 HG12 ILE 22 10.542 -17.186 27.281 1.00 21.44 ATOM 344 CG2 ILE 22 8.658 -15.261 27.634 1.00 4.52 ATOM 345 HG21 ILE 22 9.215 -14.501 27.104 1.00 33.44 ATOM 346 HG22 ILE 22 9.164 -15.496 28.560 1.00 31.32 ATOM 347 HG23 ILE 22 7.665 -14.893 27.851 1.00 40.44 ATOM 348 CD1 ILE 22 10.742 -16.048 25.516 1.00 74.33 ATOM 349 HD11 ILE 22 11.691 -16.489 25.246 1.00 3.54 ATOM 350 HD12 ILE 22 10.916 -15.132 26.063 1.00 43.01 ATOM 351 HD13 ILE 22 10.179 -15.832 24.620 1.00 20.13 ATOM 352 C ILE 22 6.386 -17.106 27.895 1.00 14.21 ATOM 353 O ILE 22 6.131 -16.804 29.061 1.00 64.31 ATOM 354 N THR 23 5.482 -17.009 26.917 1.00 20.30 ATOM 355 HN THR 23 5.727 -17.300 26.014 1.00 37.80 ATOM 356 CA THR 23 4.129 -16.475 27.158 1.00 40.43 ATOM 357 HA THR 23 4.241 -15.503 27.622 1.00 22.51 ATOM 358 CB THR 23 3.337 -16.284 25.836 1.00 13.40 ATOM 359 HB THR 23 3.956 -15.728 25.144 1.00 73.44 ATOM 360 OG1 THR 23 2.127 -15.545 26.073 1.00 43.01 ATOM 361 HG1 THR 23 1.614 -15.975 26.775 1.00 13.52 ATOM 362 CG2 THR 23 2.983 -17.622 25.198 1.00 10.21 ATOM 363 HG21 THR 23 2.437 -17.451 24.282 1.00 30.21 ATOM 364 HG22 THR 23 2.372 -18.195 25.879 1.00 12.44 ATOM 365 HG23 THR 23 3.889 -18.169 24.981 1.00 42.13 ATOM 366 C THR 23 3.317 -17.375 28.104 1.00 72.22 ATOM 367 O THR 23 2.352 -16.925 28.722 1.00 52.30 ATOM 368 N LEU 24 3.706 -18.647 28.203 1.00 41.34 ATOM 369 HN LEU 24 4.436 -18.963 27.631 1.00 37.80 ATOM 370 CA LEU 24 3.064 -19.596 29.126 1.00 13.31 ATOM 371 HA LEU 24 2.033 -19.291 29.246 1.00 22.44 ATOM 372 CB LEU 24 3.091 -21.013 28.533 1.00 12.13 ATOM 373 HB1 LEU 24 2.852 -21.718 29.318 1.00 37.80 ATOM 374 HB2 LEU 24 4.096 -21.215 28.188 1.00 22.11 ATOM 375 CG LEU 24 2.120 -21.251 27.363 1.00 41.13 ATOM 376 HG LEU 24 2.311 -20.519 26.591 1.00 72.12 ATOM 377 CD1 LEU 24 2.326 -22.634 26.756 1.00 51.23 ATOM 378 HD11 LEU 24 3.342 -22.722 26.397 1.00 14.03 ATOM 379 HD12 LEU 24 1.643 -22.770 25.931 1.00 53.23 ATOM 380 HD13 LEU 24 2.141 -23.391 27.504 1.00 73.42 ATOM 381 CD2 LEU 24 0.674 -21.081 27.825 1.00 42.35 ATOM 382 HD21 LEU 24 0.004 -21.282 27.001 1.00 23.15 ATOM 383 HD22 LEU 24 0.523 -20.069 28.171 1.00 34.55 ATOM 384 HD23 LEU 24 0.469 -21.772 28.633 1.00 24.10 ATOM 385 C LEU 24 3.735 -19.592 30.509 1.00 73.11 ATOM 386 O LEU 24 3.306 -20.303 31.417 1.00 72.53 ATOM 387 N GLY 25 4.795 -18.799 30.657 1.00 20.31 ATOM 388 HN GLY 25 5.115 -18.282 29.888 1.00 37.80 ATOM 389 CA GLY 25 5.483 -18.681 31.938 1.00 52.31 ATOM 390 HA1 GLY 25 4.756 -18.427 32.698 1.00 37.80 ATOM 391 HA2 GLY 25 6.201 -17.879 31.869 1.00 34.11 ATOM 392 C GLY 25 6.218 -19.950 32.367 1.00 24.14 ATOM 393 O GLY 25 6.613 -20.080 33.528 1.00 34.12 ATOM 394 N VAL 26 6.405 -20.889 31.437 1.00 64.40 ATOM 395 HN VAL 26 6.051 -20.740 30.535 1.00 37.80 ATOM 396 CA VAL 26 7.124 -22.137 31.735 1.00 2.03 ATOM 397 HA VAL 26 6.933 -22.390 32.770 1.00 50.21 ATOM 398 CB VAL 26 6.622 -23.309 30.852 1.00 61.33 ATOM 399 HB VAL 26 7.111 -24.215 31.188 1.00 45.11 ATOM 400 CG1 VAL 26 5.118 -23.498 31.022 1.00 13.14 ATOM 401 HG11 VAL 26 4.898 -23.743 32.052 1.00 50.34 ATOM 402 HG12 VAL 26 4.778 -24.301 30.383 1.00 50.42 ATOM 403 HG13 VAL 26 4.607 -22.584 30.753 1.00 44.03 ATOM 404 CG2 VAL 26 6.981 -23.094 29.381 1.00 41.04 ATOM 405 HG21 VAL 26 6.561 -22.158 29.039 1.00 64.02 ATOM 406 HG22 VAL 26 6.582 -23.904 28.788 1.00 41.41 ATOM 407 HG23 VAL 26 8.057 -23.066 29.271 1.00 40.41 ATOM 408 C VAL 26 8.637 -21.965 31.545 1.00 63.31 ATOM 409 O VAL 26 9.444 -22.643 32.189 1.00 14.44 ATOM 410 N LEU 27 9.008 -21.048 30.655 1.00 25.35 ATOM 411 HN LEU 27 8.313 -20.557 30.166 1.00 37.80 ATOM 412 CA LEU 27 10.411 -20.737 30.384 1.00 31.52 ATOM 413 HA LEU 27 11.019 -21.244 31.122 1.00 43.31 ATOM 414 CB LEU 27 10.803 -21.235 28.984 1.00 11.02 ATOM 415 HB1 LEU 27 10.194 -20.716 28.258 1.00 37.80 ATOM 416 HB2 LEU 27 10.575 -22.292 28.925 1.00 62.04 ATOM 417 CG LEU 27 12.278 -21.039 28.601 1.00 3.33 ATOM 418 HG LEU 27 12.516 -19.985 28.644 1.00 13.21 ATOM 419 CD1 LEU 27 13.193 -21.763 29.584 1.00 13.02 ATOM 420 HD11 LEU 27 12.950 -22.817 29.598 1.00 52.44 ATOM 421 HD12 LEU 27 13.059 -21.349 30.572 1.00 4.04 ATOM 422 HD13 LEU 27 14.222 -21.635 29.280 1.00 71.30 ATOM 423 CD2 LEU 27 12.529 -21.518 27.173 1.00 0.41 ATOM 424 HD21 LEU 27 11.900 -20.964 26.492 1.00 75.11 ATOM 425 HD22 LEU 27 12.301 -22.572 27.098 1.00 43.40 ATOM 426 HD23 LEU 27 13.566 -21.356 26.916 1.00 65.31 ATOM 427 C LEU 27 10.650 -19.226 30.501 1.00 1.14 ATOM 428 O LEU 27 9.832 -18.423 30.050 1.00 20.54 ATOM 429 N GLU 28 11.766 -18.847 31.116 1.00 4.24 ATOM 430 HN GLU 28 12.397 -19.531 31.421 1.00 37.80 ATOM 431 CA GLU 28 12.084 -17.432 31.349 1.00 62.35 ATOM 432 HA GLU 28 11.204 -16.963 31.764 1.00 15.34 ATOM 433 CB GLU 28 13.227 -17.317 32.369 1.00 63.41 ATOM 434 HB1 GLU 28 12.896 -17.742 33.307 1.00 37.80 ATOM 435 HB2 GLU 28 13.454 -16.271 32.523 1.00 31.24 ATOM 436 CG GLU 28 14.511 -18.029 31.949 1.00 73.31 ATOM 437 HG1 GLU 28 14.853 -17.608 31.014 1.00 37.80 ATOM 438 HG2 GLU 28 14.295 -19.080 31.809 1.00 13.13 ATOM 439 CD GLU 28 15.620 -17.893 32.980 1.00 3.03 ATOM 440 OE1 GLU 28 15.716 -18.758 33.880 1.00 45.31 ATOM 441 OE2 GLU 28 16.395 -16.916 32.906 1.00 63.21 ATOM 442 C GLU 28 12.460 -16.696 30.050 1.00 63.35 ATOM 443 O GLU 28 12.857 -17.313 29.059 1.00 34.21 ATOM 444 N SER 29 12.327 -15.369 30.070 1.00 30.22 ATOM 445 HN SER 29 11.967 -14.943 30.878 1.00 37.80 ATOM 446 CA SER 29 12.694 -14.526 28.922 1.00 11.44 ATOM 447 HA SER 29 12.136 -14.876 28.065 1.00 22.10 ATOM 448 CB SER 29 12.313 -13.061 29.202 1.00 11.45 ATOM 449 HB1 SER 29 12.837 -12.717 30.083 1.00 37.80 ATOM 450 HB2 SER 29 11.248 -12.995 29.374 1.00 41.31 ATOM 451 OG SER 29 12.649 -12.211 28.111 1.00 40.43 ATOM 452 HG SER 29 13.305 -11.564 28.402 1.00 63.44 ATOM 453 C SER 29 14.199 -14.630 28.614 1.00 14.15 ATOM 454 O SER 29 15.013 -14.803 29.525 1.00 14.32 ATOM 455 N PRO 30 14.593 -14.536 27.324 1.00 22.02 ATOM 456 CA PRO 30 16.005 -14.620 26.911 1.00 52.11 ATOM 457 HA PRO 30 16.379 -15.631 27.013 1.00 21.24 ATOM 458 CB PRO 30 15.974 -14.234 25.416 1.00 33.41 ATOM 459 HB1 PRO 30 16.134 -15.117 24.813 1.00 37.80 ATOM 460 HB2 PRO 30 16.749 -13.509 25.205 1.00 22.55 ATOM 461 CG PRO 30 14.612 -13.660 25.184 1.00 61.31 ATOM 462 HG1 PRO 30 14.292 -13.865 24.172 1.00 37.80 ATOM 463 HG2 PRO 30 14.624 -12.594 25.365 1.00 72.12 ATOM 464 CD PRO 30 13.710 -14.346 26.167 1.00 65.22 ATOM 465 HD1 PRO 30 13.372 -15.297 25.778 1.00 37.80 ATOM 466 HD2 PRO 30 12.867 -13.715 26.416 1.00 72.54 ATOM 467 C PRO 30 16.919 -13.664 27.698 1.00 41.22 ATOM 468 O PRO 30 16.602 -12.487 27.881 1.00 70.20 ATOM 469 N LYS 31 18.059 -14.182 28.155 1.00 75.33 ATOM 470 HN LYS 31 18.257 -15.124 27.974 1.00 37.80 ATOM 471 CA LYS 31 19.016 -13.389 28.933 1.00 30.25 ATOM 472 HA LYS 31 18.470 -12.897 29.727 1.00 14.24 ATOM 473 CB LYS 31 20.075 -14.315 29.553 1.00 22.22 ATOM 474 HB1 LYS 31 20.847 -14.505 28.818 1.00 37.80 ATOM 475 HB2 LYS 31 19.606 -15.253 29.815 1.00 51.32 ATOM 476 CG LYS 31 20.738 -13.745 30.804 1.00 31.52 ATOM 477 HG1 LYS 31 21.204 -12.801 30.556 1.00 37.80 ATOM 478 HG2 LYS 31 21.491 -14.439 31.149 1.00 2.33 ATOM 479 CD LYS 31 19.722 -13.517 31.926 1.00 14.43 ATOM 480 HD1 LYS 31 18.991 -12.793 31.593 1.00 37.80 ATOM 481 HD2 LYS 31 20.240 -13.130 32.792 1.00 30.14 ATOM 482 CE LYS 31 19.001 -14.805 32.321 1.00 1.22 ATOM 483 HE1 LYS 31 19.723 -15.497 32.731 1.00 37.80 ATOM 484 HE2 LYS 31 18.552 -15.238 31.439 1.00 20.24 ATOM 485 NZ LYS 31 17.936 -14.566 33.332 1.00 23.21 ATOM 486 HZ1 LYS 31 18.353 -14.193 34.210 1.00 51.44 ATOM 487 HZ2 LYS 31 17.439 -15.456 33.547 1.00 30.14 ATOM 488 HZ3 LYS 31 17.244 -13.877 32.969 1.00 44.44 ATOM 489 C LYS 31 19.686 -12.317 28.054 1.00 61.41 ATOM 490 O LYS 31 20.101 -11.263 28.537 1.00 63.22 ATOM 491 N LYS 32 19.776 -12.603 26.758 1.00 14.53 ATOM 492 HN LYS 32 19.454 -13.472 26.447 1.00 37.80 ATOM 493 CA LYS 32 20.322 -11.662 25.773 1.00 64.50 ATOM 494 HA LYS 32 20.032 -10.664 26.070 1.00 71.10 ATOM 495 CB LYS 32 21.859 -11.747 25.727 1.00 1.52 ATOM 496 HB1 LYS 32 22.244 -11.561 26.720 1.00 37.80 ATOM 497 HB2 LYS 32 22.230 -10.976 25.063 1.00 2.20 ATOM 498 CG LYS 32 22.408 -13.091 25.246 1.00 45.13 ATOM 499 HG1 LYS 32 22.078 -13.260 24.231 1.00 37.80 ATOM 500 HG2 LYS 32 22.026 -13.874 25.886 1.00 52.15 ATOM 501 CD LYS 32 23.937 -13.116 25.286 1.00 60.02 ATOM 502 HD1 LYS 32 24.260 -12.954 26.305 1.00 37.80 ATOM 503 HD2 LYS 32 24.315 -12.318 24.663 1.00 72.40 ATOM 504 CE LYS 32 24.516 -14.439 24.787 1.00 42.41 ATOM 505 HE1 LYS 32 24.040 -15.251 25.320 1.00 37.80 ATOM 506 HE2 LYS 32 25.577 -14.452 24.993 1.00 54.12 ATOM 507 NZ LYS 32 24.310 -14.634 23.326 1.00 22.45 ATOM 508 HZ1 LYS 32 24.679 -13.815 22.796 1.00 1.31 ATOM 509 HZ2 LYS 32 23.299 -14.746 23.112 1.00 14.44 ATOM 510 HZ3 LYS 32 24.812 -15.488 23.008 1.00 60.53 ATOM 511 C LYS 32 19.727 -11.949 24.385 1.00 71.02 ATOM 512 O LYS 32 18.913 -12.863 24.235 1.00 42.12 ATOM 513 N THR 33 20.122 -11.166 23.381 1.00 73.32 ATOM 514 HN THR 33 20.733 -10.422 23.567 1.00 37.80 ATOM 515 CA THR 33 19.653 -11.376 22.001 1.00 14.23 ATOM 516 HA THR 33 18.592 -11.161 21.976 1.00 31.01 ATOM 517 CB THR 33 20.364 -10.417 21.013 1.00 14.54 ATOM 518 HB THR 33 21.424 -10.636 21.021 1.00 13.03 ATOM 519 OG1 THR 33 20.167 -9.055 21.428 1.00 63.24 ATOM 520 HG1 THR 33 21.019 -8.664 21.667 1.00 24.32 ATOM 521 CG2 THR 33 19.838 -10.595 19.591 1.00 44.42 ATOM 522 HG21 THR 33 18.779 -10.382 19.570 1.00 14.41 ATOM 523 HG22 THR 33 20.007 -11.612 19.268 1.00 50.41 ATOM 524 HG23 THR 33 20.356 -9.917 18.927 1.00 75.41 ATOM 525 C THR 33 19.881 -12.827 21.548 1.00 73.12 ATOM 526 O THR 33 21.016 -13.301 21.499 1.00 35.12 ATOM 527 N ILE 34 18.796 -13.528 21.227 1.00 23.30 ATOM 528 HN ILE 34 17.922 -13.080 21.228 1.00 37.80 ATOM 529 CA ILE 34 18.870 -14.952 20.874 1.00 45.50 ATOM 530 HA ILE 34 19.425 -15.453 21.657 1.00 60.22 ATOM 531 CB ILE 34 17.458 -15.589 20.807 1.00 23.22 ATOM 532 HB ILE 34 16.891 -15.072 20.046 1.00 34.52 ATOM 533 CG1 ILE 34 16.743 -15.431 22.158 1.00 34.11 ATOM 534 HG11 ILE 34 16.662 -14.378 22.391 1.00 37.80 ATOM 535 HG12 ILE 34 17.326 -15.918 22.927 1.00 33.55 ATOM 536 CG2 ILE 34 17.548 -17.067 20.409 1.00 43.24 ATOM 537 HG21 ILE 34 18.121 -17.608 21.149 1.00 24.43 ATOM 538 HG22 ILE 34 18.033 -17.154 19.447 1.00 5.54 ATOM 539 HG23 ILE 34 16.554 -17.486 20.346 1.00 51.32 ATOM 540 CD1 ILE 34 15.350 -16.022 22.189 1.00 15.54 ATOM 541 HD11 ILE 34 14.744 -15.563 21.421 1.00 31.25 ATOM 542 HD12 ILE 34 14.905 -15.840 23.156 1.00 33.11 ATOM 543 HD13 ILE 34 15.406 -17.087 22.014 1.00 14.12 ATOM 544 C ILE 34 19.593 -15.181 19.537 1.00 52.01 ATOM 545 O ILE 34 19.057 -14.886 18.467 1.00 15.43 ATOM 546 N SER 35 20.819 -15.694 19.611 1.00 71.33 ATOM 547 HN SER 35 21.228 -15.820 20.494 1.00 37.80 ATOM 548 CA SER 35 21.588 -16.053 18.409 1.00 41.41 ATOM 549 HA SER 35 21.418 -15.287 17.663 1.00 62.24 ATOM 550 CB SER 35 23.088 -16.116 18.727 1.00 43.52 ATOM 551 HB1 SER 35 23.408 -15.165 19.125 1.00 37.80 ATOM 552 HB2 SER 35 23.640 -16.331 17.823 1.00 15.20 ATOM 553 OG SER 35 23.374 -17.131 19.686 1.00 13.13 ATOM 554 HG SER 35 23.377 -17.998 19.247 1.00 43.12 ATOM 555 C SER 35 21.133 -17.405 17.841 1.00 4.54 ATOM 556 O SER 35 21.025 -17.577 16.625 1.00 50.23 ATOM 557 N ASP 36 20.875 -18.362 18.735 1.00 51.22 ATOM 558 HN ASP 36 20.970 -18.153 19.686 1.00 37.80 ATOM 559 CA ASP 36 20.453 -19.714 18.344 1.00 10.01 ATOM 560 HA ASP 36 20.403 -19.752 17.266 1.00 71.11 ATOM 561 CB ASP 36 21.481 -20.746 18.829 1.00 35.53 ATOM 562 HB1 ASP 36 21.167 -21.733 18.517 1.00 37.80 ATOM 563 HB2 ASP 36 21.531 -20.717 19.909 1.00 51.25 ATOM 564 CG ASP 36 22.867 -20.485 18.273 1.00 12.34 ATOM 565 OD1 ASP 36 23.711 -19.910 18.999 1.00 14.45 ATOM 566 OD2 ASP 36 23.119 -20.850 17.106 1.00 40.20 ATOM 567 C ASP 36 19.065 -20.057 18.920 1.00 53.22 ATOM 568 O ASP 36 18.948 -20.417 20.091 1.00 72.42 ATOM 569 N PRO 37 17.990 -19.943 18.109 1.00 10.53 ATOM 570 CA PRO 37 16.619 -20.238 18.568 1.00 3.42 ATOM 571 HA PRO 37 16.369 -19.652 19.442 1.00 54.12 ATOM 572 CB PRO 37 15.739 -19.796 17.387 1.00 74.33 ATOM 573 HB1 PRO 37 15.379 -18.791 17.560 1.00 37.80 ATOM 574 HB2 PRO 37 14.898 -20.469 17.283 1.00 60.41 ATOM 575 CG PRO 37 16.636 -19.853 16.195 1.00 71.55 ATOM 576 HG1 PRO 37 16.316 -19.130 15.457 1.00 37.80 ATOM 577 HG2 PRO 37 16.621 -20.849 15.772 1.00 3.53 ATOM 578 CD PRO 37 18.019 -19.514 16.695 1.00 20.24 ATOM 579 HD1 PRO 37 18.199 -18.451 16.619 1.00 37.80 ATOM 580 HD2 PRO 37 18.767 -20.064 16.139 1.00 44.20 ATOM 581 C PRO 37 16.403 -21.729 18.889 1.00 24.20 ATOM 582 O PRO 37 15.826 -22.075 19.924 1.00 63.31 ATOM 583 N GLU 38 16.878 -22.611 18.006 1.00 65.42 ATOM 584 HN GLU 38 17.339 -22.284 17.206 1.00 37.80 ATOM 585 CA GLU 38 16.742 -24.060 18.209 1.00 30.23 ATOM 586 HA GLU 38 15.711 -24.264 18.463 1.00 71.40 ATOM 587 CB GLU 38 17.096 -24.814 16.919 1.00 3.04 ATOM 588 HB1 GLU 38 16.978 -25.875 17.091 1.00 37.80 ATOM 589 HB2 GLU 38 18.129 -24.612 16.669 1.00 42.52 ATOM 590 CG GLU 38 16.227 -24.423 15.726 1.00 50.12 ATOM 591 HG1 GLU 38 16.351 -23.364 15.542 1.00 37.80 ATOM 592 HG2 GLU 38 15.193 -24.621 15.972 1.00 64.43 ATOM 593 CD GLU 38 16.579 -25.183 14.454 1.00 3.22 ATOM 594 OE1 GLU 38 15.919 -26.199 14.156 1.00 3.20 ATOM 595 OE2 GLU 38 17.520 -24.764 13.746 1.00 11.41 ATOM 596 C GLU 38 17.635 -24.534 19.364 1.00 71.30 ATOM 597 O GLU 38 17.213 -25.329 20.209 1.00 72.43 ATOM 598 N GLY 39 18.869 -24.030 19.395 1.00 74.41 ATOM 599 HN GLY 39 19.165 -23.449 18.661 1.00 37.80 ATOM 600 CA GLY 39 19.785 -24.343 20.488 1.00 3.31 ATOM 601 HA1 GLY 39 20.734 -23.864 20.295 1.00 37.80 ATOM 602 HA2 GLY 39 19.937 -25.413 20.521 1.00 73.10 ATOM 603 C GLY 39 19.267 -23.876 21.846 1.00 32.13 ATOM 604 O GLY 39 19.408 -24.579 22.850 1.00 13.43 ATOM 605 N PHE 40 18.668 -22.685 21.874 1.00 43.32 ATOM 606 HN PHE 40 18.638 -22.150 21.052 1.00 37.80 ATOM 607 CA PHE 40 18.061 -22.143 23.096 1.00 41.10 ATOM 608 HA PHE 40 18.844 -22.038 23.834 1.00 44.41 ATOM 609 CB PHE 40 17.456 -20.758 22.811 1.00 74.32 ATOM 610 HB1 PHE 40 16.720 -20.853 22.022 1.00 37.80 ATOM 611 HB2 PHE 40 18.241 -20.095 22.476 1.00 75.41 ATOM 612 CG PHE 40 16.785 -20.116 24.005 1.00 45.23 ATOM 613 CD1 PHE 40 17.540 -19.543 25.020 1.00 73.44 ATOM 614 HD1 PHE 40 18.619 -19.562 24.954 1.00 73.01 ATOM 615 CD2 PHE 40 15.399 -20.079 24.108 1.00 41.22 ATOM 616 HD2 PHE 40 14.796 -20.521 23.324 1.00 43.14 ATOM 617 CE1 PHE 40 16.929 -18.951 26.111 1.00 4.31 ATOM 618 HE1 PHE 40 17.530 -18.510 26.894 1.00 20.15 ATOM 619 CE2 PHE 40 14.785 -19.488 25.198 1.00 63.35 ATOM 620 HE2 PHE 40 13.706 -19.469 25.265 1.00 55.21 ATOM 621 CZ PHE 40 15.550 -18.923 26.200 1.00 31.35 ATOM 622 HZ PHE 40 15.071 -18.461 27.051 1.00 13.30 ATOM 623 C PHE 40 16.983 -23.091 23.647 1.00 51.12 ATOM 624 O PHE 40 16.944 -23.376 24.844 1.00 15.04 ATOM 625 N LEU 41 16.117 -23.580 22.762 1.00 20.51 ATOM 626 HN LEU 41 16.186 -23.299 21.824 1.00 37.80 ATOM 627 CA LEU 41 15.061 -24.521 23.151 1.00 61.30 ATOM 628 HA LEU 41 14.483 -24.056 23.939 1.00 41.02 ATOM 629 CB LEU 41 14.134 -24.805 21.960 1.00 64.31 ATOM 630 HB1 LEU 41 13.439 -25.582 22.249 1.00 37.80 ATOM 631 HB2 LEU 41 14.739 -25.176 21.143 1.00 44.14 ATOM 632 CG LEU 41 13.323 -23.600 21.455 1.00 71.01 ATOM 633 HG LEU 41 14.007 -22.820 21.151 1.00 42.15 ATOM 634 CD1 LEU 41 12.486 -23.980 20.237 1.00 34.41 ATOM 635 HD11 LEU 41 13.138 -24.313 19.442 1.00 70.25 ATOM 636 HD12 LEU 41 11.923 -23.121 19.902 1.00 25.53 ATOM 637 HD13 LEU 41 11.804 -24.777 20.499 1.00 34.12 ATOM 638 CD2 LEU 41 12.438 -23.041 22.568 1.00 21.34 ATOM 639 HD21 LEU 41 13.057 -22.712 23.390 1.00 41.40 ATOM 640 HD22 LEU 41 11.761 -23.809 22.914 1.00 41.21 ATOM 641 HD23 LEU 41 11.870 -22.204 22.190 1.00 0.11 ATOM 642 C LEU 41 15.642 -25.839 23.684 1.00 31.02 ATOM 643 O LEU 41 15.317 -26.262 24.790 1.00 45.14 ATOM 644 N GLN 42 16.510 -26.475 22.897 1.00 12.51 ATOM 645 HN GLN 42 16.758 -26.068 22.038 1.00 37.80 ATOM 646 CA GLN 42 17.106 -27.766 23.272 1.00 24.32 ATOM 647 HA GLN 42 16.309 -28.498 23.290 1.00 42.32 ATOM 648 CB GLN 42 18.141 -28.190 22.212 1.00 71.11 ATOM 649 HB1 GLN 42 18.942 -27.463 22.202 1.00 37.80 ATOM 650 HB2 GLN 42 17.660 -28.187 21.242 1.00 32.25 ATOM 651 CG GLN 42 18.755 -29.579 22.432 1.00 40.23 ATOM 652 HG1 GLN 42 19.113 -29.950 21.482 1.00 37.80 ATOM 653 HG2 GLN 42 17.986 -30.240 22.803 1.00 11.21 ATOM 654 CD GLN 42 19.915 -29.587 23.422 1.00 53.11 ATOM 655 OE1 GLN 42 20.658 -28.618 23.538 1.00 40.01 ATOM 656 NE2 GLN 42 20.077 -30.679 24.145 1.00 44.41 ATOM 657 HE21 GLN 42 19.449 -31.421 24.014 1.00 62.25 ATOM 658 HE22 GLN 42 20.819 -30.703 24.784 1.00 65.31 ATOM 659 C GLN 42 17.746 -27.711 24.672 1.00 23.32 ATOM 660 O GLN 42 17.428 -28.524 25.541 1.00 24.51 ATOM 661 N ALA 43 18.629 -26.739 24.887 1.00 34.41 ATOM 662 HN ALA 43 18.826 -26.106 24.163 1.00 37.80 ATOM 663 CA ALA 43 19.324 -26.593 26.173 1.00 32.34 ATOM 664 HA ALA 43 19.863 -27.512 26.361 1.00 33.43 ATOM 665 CB ALA 43 20.343 -25.462 26.090 1.00 31.21 ATOM 666 HB1 ALA 43 20.926 -25.433 26.999 1.00 41.33 ATOM 667 HB2 ALA 43 19.828 -24.520 25.964 1.00 10.33 ATOM 668 HB3 ALA 43 21.000 -25.626 25.248 1.00 31.22 ATOM 669 C ALA 43 18.347 -26.347 27.338 1.00 34.33 ATOM 670 O ALA 43 18.526 -26.875 28.437 1.00 60.34 ATOM 671 N SER 44 17.313 -25.548 27.085 1.00 74.31 ATOM 672 HN SER 44 17.199 -25.193 26.178 1.00 37.80 ATOM 673 CA SER 44 16.337 -25.178 28.126 1.00 21.44 ATOM 674 HA SER 44 16.889 -24.985 29.036 1.00 21.22 ATOM 675 CB SER 44 15.592 -23.897 27.726 1.00 44.43 ATOM 676 HB1 SER 44 14.894 -23.628 28.504 1.00 37.80 ATOM 677 HB2 SER 44 15.051 -24.067 26.806 1.00 11.32 ATOM 678 OG SER 44 16.491 -22.815 27.529 1.00 71.31 ATOM 679 HG SER 44 16.617 -22.674 26.583 1.00 3.33 ATOM 680 C SER 44 15.320 -26.297 28.401 1.00 11.44 ATOM 681 O SER 44 14.782 -26.395 29.500 1.00 63.10 ATOM 682 N LEU 45 15.047 -27.128 27.397 1.00 31.51 ATOM 683 HN LEU 45 15.497 -26.997 26.536 1.00 37.80 ATOM 684 CA LEU 45 14.079 -28.230 27.538 1.00 60.35 ATOM 685 HA LEU 45 13.378 -27.960 28.315 1.00 35.15 ATOM 686 CB LEU 45 13.312 -28.426 26.224 1.00 23.33 ATOM 687 HB1 LEU 45 12.636 -29.261 26.347 1.00 37.80 ATOM 688 HB2 LEU 45 14.027 -28.679 25.452 1.00 73.45 ATOM 689 CG LEU 45 12.494 -27.213 25.743 1.00 63.44 ATOM 690 HG LEU 45 13.161 -26.373 25.602 1.00 34.13 ATOM 691 CD1 LEU 45 11.827 -27.507 24.400 1.00 33.34 ATOM 692 HD11 LEU 45 11.239 -26.653 24.095 1.00 23.12 ATOM 693 HD12 LEU 45 11.183 -28.370 24.495 1.00 42.23 ATOM 694 HD13 LEU 45 12.585 -27.704 23.655 1.00 0.52 ATOM 695 CD2 LEU 45 11.454 -26.815 26.787 1.00 1.33 ATOM 696 HD21 LEU 45 11.951 -26.554 27.709 1.00 34.13 ATOM 697 HD22 LEU 45 10.781 -27.642 26.964 1.00 3.41 ATOM 698 HD23 LEU 45 10.890 -25.964 26.430 1.00 4.33 ATOM 699 C LEU 45 14.765 -29.548 27.934 1.00 52.31 ATOM 700 O LEU 45 14.096 -30.526 28.272 1.00 11.42 ATOM 701 N LYS 46 16.096 -29.558 27.891 1.00 4.45 ATOM 702 HN LYS 46 16.563 -28.733 27.642 1.00 37.80 ATOM 703 CA LYS 46 16.893 -30.758 28.184 1.00 53.55 ATOM 704 HA LYS 46 16.710 -31.471 27.392 1.00 75.53 ATOM 705 CB LYS 46 18.388 -30.395 28.185 1.00 42.24 ATOM 706 HB1 LYS 46 18.575 -29.705 28.995 1.00 37.80 ATOM 707 HB2 LYS 46 18.626 -29.907 27.250 1.00 3.35 ATOM 708 CG LYS 46 19.323 -31.589 28.352 1.00 31.33 ATOM 709 HG1 LYS 46 19.111 -32.311 27.574 1.00 37.80 ATOM 710 HG2 LYS 46 19.146 -32.040 29.319 1.00 13.20 ATOM 711 CD LYS 46 20.793 -31.178 28.260 1.00 74.55 ATOM 712 HD1 LYS 46 21.010 -30.475 29.053 1.00 37.80 ATOM 713 HD2 LYS 46 20.966 -30.707 27.304 1.00 41.43 ATOM 714 CE LYS 46 21.727 -32.378 28.394 1.00 31.22 ATOM 715 HE1 LYS 46 21.461 -33.111 27.645 1.00 37.80 ATOM 716 HE2 LYS 46 21.602 -32.811 29.376 1.00 0.14 ATOM 717 NZ LYS 46 23.152 -32.001 28.214 1.00 14.45 ATOM 718 HZ1 LYS 46 23.438 -31.320 28.943 1.00 15.53 ATOM 719 HZ2 LYS 46 23.293 -31.568 27.281 1.00 34.11 ATOM 720 HZ3 LYS 46 23.759 -32.844 28.286 1.00 24.20 ATOM 721 C LYS 46 16.505 -31.406 29.527 1.00 10.11 ATOM 722 O LYS 46 16.375 -32.626 29.621 1.00 32.53 ATOM 723 N ASP 47 16.304 -30.580 30.555 1.00 62.21 ATOM 724 HN ASP 47 16.369 -29.612 30.405 1.00 37.80 ATOM 725 CA ASP 47 15.987 -31.074 31.905 1.00 75.24 ATOM 726 HA ASP 47 16.717 -31.833 32.149 1.00 14.24 ATOM 727 CB ASP 47 16.120 -29.934 32.923 1.00 14.43 ATOM 728 HB1 ASP 47 17.166 -29.682 33.037 1.00 37.80 ATOM 729 HB2 ASP 47 15.732 -30.264 33.878 1.00 30.11 ATOM 730 CG ASP 47 15.363 -28.687 32.503 1.00 51.35 ATOM 731 OD1 ASP 47 15.989 -27.789 31.898 1.00 11.35 ATOM 732 OD2 ASP 47 14.144 -28.600 32.773 1.00 5.30 ATOM 733 C ASP 47 14.584 -31.711 31.998 1.00 64.33 ATOM 734 O ASP 47 14.280 -32.427 32.959 1.00 62.41 ATOM 735 N GLY 48 13.729 -31.437 31.015 1.00 24.42 ATOM 736 HN GLY 48 14.015 -30.847 30.285 1.00 37.80 ATOM 737 CA GLY 48 12.386 -32.015 30.995 1.00 34.44 ATOM 738 HA1 GLY 48 12.449 -33.051 31.298 1.00 37.80 ATOM 739 HA2 GLY 48 12.014 -31.978 29.982 1.00 63.44 ATOM 740 C GLY 48 11.387 -31.299 31.906 1.00 32.41 ATOM 741 O GLY 48 10.183 -31.309 31.641 1.00 5.21 ATOM 742 N VAL 49 11.882 -30.669 32.974 1.00 24.12 ATOM 743 HN VAL 49 12.852 -30.662 33.114 1.00 37.80 ATOM 744 CA VAL 49 11.018 -29.977 33.940 1.00 31.23 ATOM 745 HA VAL 49 10.348 -30.713 34.368 1.00 21.24 ATOM 746 CB VAL 49 11.844 -29.345 35.092 1.00 62.42 ATOM 747 HB VAL 49 12.472 -28.570 34.671 1.00 43.01 ATOM 748 CG1 VAL 49 10.929 -28.696 36.133 1.00 11.03 ATOM 749 HG11 VAL 49 10.349 -27.912 35.666 1.00 24.14 ATOM 750 HG12 VAL 49 11.526 -28.274 36.928 1.00 4.34 ATOM 751 HG13 VAL 49 10.261 -29.441 36.543 1.00 1.11 ATOM 752 CG2 VAL 49 12.754 -30.391 35.740 1.00 33.11 ATOM 753 HG21 VAL 49 13.449 -30.770 35.005 1.00 62.13 ATOM 754 HG22 VAL 49 12.154 -31.206 36.120 1.00 24.14 ATOM 755 HG23 VAL 49 13.304 -29.939 36.554 1.00 34.21 ATOM 756 C VAL 49 10.177 -28.887 33.255 1.00 71.32 ATOM 757 O VAL 49 8.980 -28.745 33.524 1.00 64.11 ATOM 758 N VAL 50 10.807 -28.126 32.359 1.00 4.11 ATOM 759 HN VAL 50 11.774 -28.253 32.223 1.00 37.80 ATOM 760 CA VAL 50 10.100 -27.099 31.581 1.00 13.42 ATOM 761 HA VAL 50 9.668 -26.397 32.283 1.00 23.42 ATOM 762 CB VAL 50 11.070 -26.321 30.653 1.00 13.44 ATOM 763 HB VAL 50 11.479 -27.016 29.930 1.00 1.14 ATOM 764 CG1 VAL 50 10.335 -25.218 29.888 1.00 73.54 ATOM 765 HG11 VAL 50 11.038 -24.677 29.270 1.00 45.35 ATOM 766 HG12 VAL 50 9.874 -24.536 30.589 1.00 1.41 ATOM 767 HG13 VAL 50 9.573 -25.659 29.262 1.00 44.43 ATOM 768 CG2 VAL 50 12.230 -25.736 31.459 1.00 63.04 ATOM 769 HG21 VAL 50 11.845 -25.055 32.206 1.00 55.10 ATOM 770 HG22 VAL 50 12.898 -25.203 30.798 1.00 42.02 ATOM 771 HG23 VAL 50 12.771 -26.535 31.946 1.00 62.14 ATOM 772 C VAL 50 8.964 -27.718 30.743 1.00 50.21 ATOM 773 O VAL 50 7.895 -27.123 30.586 1.00 25.22 ATOM 774 N LEU 51 9.197 -28.926 30.226 1.00 11.04 ATOM 775 HN LEU 51 10.073 -29.339 30.366 1.00 37.80 ATOM 776 CA LEU 51 8.177 -29.661 29.464 1.00 5.50 ATOM 777 HA LEU 51 7.827 -29.018 28.670 1.00 44.50 ATOM 778 CB LEU 51 8.777 -30.933 28.850 1.00 44.03 ATOM 779 HB1 LEU 51 7.978 -31.494 28.385 1.00 37.80 ATOM 780 HB2 LEU 51 9.188 -31.531 29.653 1.00 12.54 ATOM 781 CG LEU 51 9.879 -30.710 27.802 1.00 60.31 ATOM 782 HG LEU 51 10.680 -30.136 28.248 1.00 61.23 ATOM 783 CD1 LEU 51 10.460 -32.045 27.344 1.00 3.33 ATOM 784 HD11 LEU 51 9.677 -32.655 26.916 1.00 74.31 ATOM 785 HD12 LEU 51 10.896 -32.559 28.188 1.00 44.33 ATOM 786 HD13 LEU 51 11.223 -31.868 26.601 1.00 25.21 ATOM 787 CD2 LEU 51 9.339 -29.920 26.610 1.00 52.14 ATOM 788 HD21 LEU 51 10.123 -29.791 25.878 1.00 50.33 ATOM 789 HD22 LEU 51 8.999 -28.950 26.944 1.00 74.12 ATOM 790 HD23 LEU 51 8.514 -30.456 26.162 1.00 23.23 ATOM 791 C LEU 51 6.988 -30.035 30.360 1.00 43.44 ATOM 792 O LEU 51 5.831 -29.887 29.970 1.00 33.22 ATOM 793 N CYS 52 7.284 -30.523 31.563 1.00 35.13 ATOM 794 HN CYS 52 8.227 -30.672 31.797 1.00 37.80 ATOM 795 CA CYS 52 6.243 -30.859 32.540 1.00 51.22 ATOM 796 HA CYS 52 5.605 -31.609 32.092 1.00 4.24 ATOM 797 CB CYS 52 6.873 -31.443 33.807 1.00 45.44 ATOM 798 HB1 CYS 52 6.092 -31.697 34.509 1.00 37.80 ATOM 799 HB2 CYS 52 7.527 -30.706 34.252 1.00 23.42 ATOM 800 SG CYS 52 7.850 -32.935 33.513 1.00 32.45 ATOM 801 HG CYS 52 7.028 -33.891 33.097 1.00 2.11 ATOM 802 C CYS 52 5.391 -29.630 32.886 1.00 13.13 ATOM 803 O CYS 52 4.166 -29.717 32.976 1.00 2.13 ATOM 804 N ARG 53 6.050 -28.486 33.075 1.00 4.14 ATOM 805 HN ARG 53 7.033 -28.501 33.093 1.00 37.80 ATOM 806 CA ARG 53 5.347 -27.209 33.268 1.00 61.22 ATOM 807 HA ARG 53 4.752 -27.280 34.167 1.00 74.54 ATOM 808 CB ARG 53 6.353 -26.059 33.413 1.00 42.04 ATOM 809 HB1 ARG 53 5.805 -25.136 33.552 1.00 37.80 ATOM 810 HB2 ARG 53 6.928 -25.986 32.500 1.00 62.34 ATOM 811 CG ARG 53 7.328 -26.211 34.574 1.00 54.03 ATOM 812 HG1 ARG 53 7.835 -27.162 34.485 1.00 37.80 ATOM 813 HG2 ARG 53 6.779 -26.178 35.505 1.00 53.42 ATOM 814 CD ARG 53 8.366 -25.094 34.570 1.00 42.13 ATOM 815 HD1 ARG 53 7.855 -24.144 34.652 1.00 37.80 ATOM 816 HD2 ARG 53 8.907 -25.126 33.635 1.00 62.51 ATOM 817 NE ARG 53 9.320 -25.211 35.669 1.00 44.34 ATOM 818 HE ARG 53 9.103 -25.830 36.394 1.00 13.43 ATOM 819 CZ ARG 53 10.430 -24.529 35.747 1.00 32.43 ATOM 820 NH1 ARG 53 10.754 -23.688 34.813 1.00 13.12 ATOM 821 HH11 ARG 53 10.153 -23.556 34.026 1.00 1.23 ATOM 822 HH12 ARG 53 11.603 -23.168 34.887 1.00 3.43 ATOM 823 NH2 ARG 53 11.210 -24.673 36.770 1.00 63.22 ATOM 824 HH21 ARG 53 10.960 -25.304 37.503 1.00 32.14 ATOM 825 HH22 ARG 53 12.059 -24.153 36.826 1.00 23.41 ATOM 826 C ARG 53 4.429 -26.914 32.072 1.00 53.42 ATOM 827 O ARG 53 3.256 -26.571 32.232 1.00 74.51 ATOM 828 N LEU 54 4.996 -27.048 30.874 1.00 11.24 ATOM 829 HN LEU 54 5.941 -27.311 30.830 1.00 37.80 ATOM 830 CA LEU 54 4.276 -26.816 29.618 1.00 33.33 ATOM 831 HA LEU 54 4.024 -25.766 29.569 1.00 45.34 ATOM 832 CB LEU 54 5.197 -27.163 28.437 1.00 42.21 ATOM 833 HB1 LEU 54 5.503 -28.194 28.543 1.00 37.80 ATOM 834 HB2 LEU 54 6.078 -26.540 28.506 1.00 62.32 ATOM 835 CG LEU 54 4.591 -26.986 27.035 1.00 20.31 ATOM 836 HG LEU 54 3.699 -27.591 26.959 1.00 54.42 ATOM 837 CD1 LEU 54 4.188 -25.535 26.797 1.00 64.31 ATOM 838 HD11 LEU 54 5.055 -24.897 26.893 1.00 3.52 ATOM 839 HD12 LEU 54 3.444 -25.242 27.523 1.00 32.12 ATOM 840 HD13 LEU 54 3.777 -25.434 25.803 1.00 3.01 ATOM 841 CD2 LEU 54 5.571 -27.458 25.962 1.00 40.12 ATOM 842 HD21 LEU 54 5.130 -27.322 24.985 1.00 23.33 ATOM 843 HD22 LEU 54 5.792 -28.506 26.111 1.00 51.24 ATOM 844 HD23 LEU 54 6.484 -26.885 26.027 1.00 74.55 ATOM 845 C LEU 54 2.982 -27.642 29.545 1.00 65.41 ATOM 846 O LEU 54 1.902 -27.102 29.298 1.00 13.31 ATOM 847 N LEU 55 3.096 -28.947 29.776 1.00 0.01 ATOM 848 HN LEU 55 3.979 -29.318 29.993 1.00 37.80 ATOM 849 CA LEU 55 1.941 -29.846 29.700 1.00 53.33 ATOM 850 HA LEU 55 1.486 -29.703 28.730 1.00 13.13 ATOM 851 CB LEU 55 2.394 -31.309 29.815 1.00 52.53 ATOM 852 HB1 LEU 55 2.762 -31.472 30.818 1.00 37.80 ATOM 853 HB2 LEU 55 3.211 -31.464 29.124 1.00 32.22 ATOM 854 CG LEU 55 1.307 -32.362 29.525 1.00 4.35 ATOM 855 HG LEU 55 0.513 -32.257 30.250 1.00 4.22 ATOM 856 CD1 LEU 55 0.702 -32.153 28.138 1.00 2.44 ATOM 857 HD11 LEU 55 0.253 -31.171 28.085 1.00 72.32 ATOM 858 HD12 LEU 55 -0.056 -32.902 27.959 1.00 64.41 ATOM 859 HD13 LEU 55 1.475 -32.237 27.387 1.00 32.01 ATOM 860 CD2 LEU 55 1.876 -33.774 29.652 1.00 44.02 ATOM 861 HD21 LEU 55 2.715 -33.890 28.980 1.00 15.41 ATOM 862 HD22 LEU 55 1.112 -34.495 29.399 1.00 11.52 ATOM 863 HD23 LEU 55 2.202 -33.942 30.668 1.00 25.50 ATOM 864 C LEU 55 0.892 -29.521 30.779 1.00 61.33 ATOM 865 O LEU 55 -0.301 -29.683 30.552 1.00 2.40 ATOM 866 N GLU 56 1.337 -29.054 31.944 1.00 55.53 ATOM 867 HN GLU 56 2.304 -28.988 32.093 1.00 37.80 ATOM 868 CA GLU 56 0.416 -28.649 33.018 1.00 72.43 ATOM 869 HA GLU 56 -0.309 -29.444 33.139 1.00 4.24 ATOM 870 CB GLU 56 1.176 -28.476 34.341 1.00 52.12 ATOM 871 HB1 GLU 56 0.557 -27.914 35.028 1.00 37.80 ATOM 872 HB2 GLU 56 2.081 -27.917 34.150 1.00 45.40 ATOM 873 CG GLU 56 1.560 -29.790 35.012 1.00 10.03 ATOM 874 HG1 GLU 56 2.181 -29.573 35.870 1.00 37.80 ATOM 875 HG2 GLU 56 2.123 -30.389 34.309 1.00 22.02 ATOM 876 CD GLU 56 0.348 -30.588 35.477 1.00 33.50 ATOM 877 OE1 GLU 56 -0.040 -31.556 34.794 1.00 22.21 ATOM 878 OE2 GLU 56 -0.228 -30.237 36.533 1.00 22.35 ATOM 879 C GLU 56 -0.340 -27.354 32.671 1.00 22.45 ATOM 880 O GLU 56 -1.510 -27.195 33.027 1.00 23.31 ATOM 881 N ARG 57 0.329 -26.425 31.986 1.00 43.43 ATOM 882 HN ARG 57 1.273 -26.582 31.769 1.00 37.80 ATOM 883 CA ARG 57 -0.312 -25.172 31.553 1.00 53.05 ATOM 884 HA ARG 57 -0.710 -24.683 32.432 1.00 13.42 ATOM 885 CB ARG 57 0.712 -24.242 30.886 1.00 62.13 ATOM 886 HB1 ARG 57 0.193 -23.373 30.503 1.00 37.80 ATOM 887 HB2 ARG 57 1.167 -24.766 30.058 1.00 21.45 ATOM 888 CG ARG 57 1.827 -23.758 31.811 1.00 2.34 ATOM 889 HG1 ARG 57 2.573 -23.250 31.216 1.00 37.80 ATOM 890 HG2 ARG 57 2.277 -24.614 32.291 1.00 51.20 ATOM 891 CD ARG 57 1.325 -22.800 32.889 1.00 75.03 ATOM 892 HD1 ARG 57 0.622 -23.322 33.523 1.00 37.80 ATOM 893 HD2 ARG 57 0.828 -21.966 32.411 1.00 4.24 ATOM 894 NE ARG 57 2.424 -22.294 33.713 1.00 14.41 ATOM 895 HE ARG 57 3.242 -22.825 33.746 1.00 33.34 ATOM 896 CZ ARG 57 2.387 -21.179 34.398 1.00 53.55 ATOM 897 NH1 ARG 57 1.335 -20.426 34.392 1.00 42.21 ATOM 898 HH11 ARG 57 0.535 -20.687 33.860 1.00 51.22 ATOM 899 HH12 ARG 57 1.329 -19.584 34.927 1.00 62.32 ATOM 900 NH2 ARG 57 3.413 -20.822 35.099 1.00 42.34 ATOM 901 HH21 ARG 57 4.228 -21.397 35.116 1.00 2.24 ATOM 902 HH22 ARG 57 3.391 -19.968 35.618 1.00 1.42 ATOM 903 C ARG 57 -1.465 -25.443 30.573 1.00 40.52 ATOM 904 O ARG 57 -2.455 -24.713 30.543 1.00 63.42 ATOM 905 N LEU 58 -1.323 -26.497 29.776 1.00 11.10 ATOM 906 HN LEU 58 -0.526 -27.061 29.878 1.00 37.80 ATOM 907 CA LEU 58 -2.310 -26.843 28.749 1.00 22.24 ATOM 908 HA LEU 58 -2.848 -25.942 28.481 1.00 51.22 ATOM 909 CB LEU 58 -1.576 -27.370 27.509 1.00 40.01 ATOM 910 HB1 LEU 58 -2.301 -27.518 26.721 1.00 37.80 ATOM 911 HB2 LEU 58 -1.137 -28.329 27.756 1.00 61.41 ATOM 912 CG LEU 58 -0.462 -26.445 26.976 1.00 1.44 ATOM 913 HG LEU 58 0.255 -26.270 27.767 1.00 12.50 ATOM 914 CD1 LEU 58 0.282 -27.095 25.816 1.00 52.04 ATOM 915 HD11 LEU 58 1.064 -26.433 25.473 1.00 45.31 ATOM 916 HD12 LEU 58 -0.406 -27.288 25.006 1.00 13.51 ATOM 917 HD13 LEU 58 0.719 -28.026 26.146 1.00 41.34 ATOM 918 CD2 LEU 58 -1.034 -25.092 26.559 1.00 33.43 ATOM 919 HD21 LEU 58 -0.234 -24.453 26.215 1.00 22.15 ATOM 920 HD22 LEU 58 -1.524 -24.632 27.404 1.00 20.31 ATOM 921 HD23 LEU 58 -1.750 -25.232 25.760 1.00 35.34 ATOM 922 C LEU 58 -3.317 -27.887 29.264 1.00 60.31 ATOM 923 O LEU 58 -4.529 -27.711 29.153 1.00 73.15 ATOM 924 N LEU 59 -2.795 -28.977 29.821 1.00 51.41 ATOM 925 HN LEU 59 -1.824 -29.072 29.841 1.00 37.80 ATOM 926 CA LEU 59 -3.616 -30.044 30.408 1.00 31.34 ATOM 927 HA LEU 59 -4.658 -29.779 30.281 1.00 71.44 ATOM 928 CB LEU 59 -3.347 -31.374 29.684 1.00 64.02 ATOM 929 HB1 LEU 59 -3.971 -32.137 30.130 1.00 37.80 ATOM 930 HB2 LEU 59 -2.311 -31.644 29.846 1.00 50.33 ATOM 931 CG LEU 59 -3.610 -31.367 28.168 1.00 24.42 ATOM 932 HG LEU 59 -3.037 -30.567 27.718 1.00 65.34 ATOM 933 CD1 LEU 59 -3.155 -32.679 27.535 1.00 55.42 ATOM 934 HD11 LEU 59 -3.676 -33.504 27.998 1.00 33.33 ATOM 935 HD12 LEU 59 -2.090 -32.800 27.680 1.00 3.03 ATOM 936 HD13 LEU 59 -3.372 -32.665 26.476 1.00 63.04 ATOM 937 CD2 LEU 59 -5.089 -31.112 27.874 1.00 42.24 ATOM 938 HD21 LEU 59 -5.685 -31.906 28.301 1.00 62.42 ATOM 939 HD22 LEU 59 -5.243 -31.082 26.806 1.00 14.35 ATOM 940 HD23 LEU 59 -5.386 -30.166 28.305 1.00 32.40 ATOM 941 C LEU 59 -3.320 -30.191 31.917 1.00 50.43 ATOM 942 O LEU 59 -2.471 -30.990 32.318 1.00 40.33 ATOM 943 N PRO 60 -4.010 -29.408 32.774 1.00 10.41 ATOM 944 CA PRO 60 -3.758 -29.396 34.232 1.00 4.22 ATOM 945 HA PRO 60 -2.741 -29.089 34.445 1.00 73.33 ATOM 946 CB PRO 60 -4.734 -28.326 34.761 1.00 63.42 ATOM 947 HB1 PRO 60 -4.238 -27.718 35.505 1.00 37.80 ATOM 948 HB2 PRO 60 -5.598 -28.805 35.202 1.00 24.41 ATOM 949 CG PRO 60 -5.115 -27.518 33.564 1.00 54.21 ATOM 950 HG1 PRO 60 -4.402 -26.718 33.415 1.00 37.80 ATOM 951 HG2 PRO 60 -6.110 -27.114 33.692 1.00 10.13 ATOM 952 CD PRO 60 -5.082 -28.469 32.400 1.00 14.41 ATOM 953 HD1 PRO 60 -4.836 -27.944 31.489 1.00 37.80 ATOM 954 HD2 PRO 60 -6.029 -28.982 32.301 1.00 51.34 ATOM 955 C PRO 60 -4.029 -30.751 34.918 1.00 60.21 ATOM 956 O PRO 60 -5.134 -31.295 34.835 1.00 42.44 ATOM 957 N GLY 61 -3.016 -31.290 35.602 1.00 13.23 ATOM 958 HN GLY 61 -2.140 -30.843 35.595 1.00 37.80 ATOM 959 CA GLY 61 -3.187 -32.536 36.348 1.00 21.23 ATOM 960 HA1 GLY 61 -4.227 -32.636 36.633 1.00 37.80 ATOM 961 HA2 GLY 61 -2.590 -32.483 37.247 1.00 3.10 ATOM 962 C GLY 61 -2.775 -33.780 35.565 1.00 65.20 ATOM 963 O GLY 61 -3.207 -34.892 35.878 1.00 32.34 ATOM 964 N THR 62 -1.936 -33.600 34.550 1.00 64.44 ATOM 965 HN THR 62 -1.628 -32.688 34.341 1.00 37.80 ATOM 966 CA THR 62 -1.451 -34.725 33.739 1.00 42.53 ATOM 967 HA THR 62 -2.191 -35.513 33.789 1.00 73.10 ATOM 968 CB THR 62 -1.271 -34.324 32.252 1.00 72.41 ATOM 969 HB THR 62 -0.499 -33.569 32.187 1.00 33.12 ATOM 970 OG1 THR 62 -2.497 -33.780 31.737 1.00 4.32 ATOM 971 HG1 THR 62 -2.542 -32.842 31.959 1.00 31.35 ATOM 972 CG2 THR 62 -0.857 -35.521 31.401 1.00 54.15 ATOM 973 HG21 THR 62 -0.753 -35.213 30.371 1.00 11.23 ATOM 974 HG22 THR 62 -1.612 -36.291 31.470 1.00 50.44 ATOM 975 HG23 THR 62 0.086 -35.910 31.758 1.00 32.10 ATOM 976 C THR 62 -0.119 -35.267 34.281 1.00 4.54 ATOM 977 O THR 62 0.059 -36.481 34.426 1.00 54.12 ATOM 978 N ILE 63 0.808 -34.358 34.592 1.00 11.31 ATOM 979 HN ILE 63 0.602 -33.406 34.457 1.00 37.80 ATOM 980 CA ILE 63 2.116 -34.732 35.144 1.00 42.31 ATOM 981 HA ILE 63 2.528 -35.521 34.527 1.00 21.32 ATOM 982 CB ILE 63 3.097 -33.528 35.124 1.00 73.54 ATOM 983 HB ILE 63 2.706 -32.770 35.789 1.00 61.30 ATOM 984 CG1 ILE 63 3.208 -32.933 33.709 1.00 70.54 ATOM 985 HG11 ILE 63 3.850 -32.063 33.740 1.00 37.80 ATOM 986 HG12 ILE 63 2.227 -32.634 33.373 1.00 41.14 ATOM 987 CG2 ILE 63 4.474 -33.942 35.647 1.00 42.23 ATOM 988 HG21 ILE 63 4.384 -34.290 36.667 1.00 74.24 ATOM 989 HG22 ILE 63 5.144 -33.094 35.616 1.00 40.14 ATOM 990 HG23 ILE 63 4.873 -34.736 35.032 1.00 4.23 ATOM 991 CD1 ILE 63 3.771 -33.885 32.675 1.00 3.12 ATOM 992 HD11 ILE 63 3.800 -33.393 31.714 1.00 4.35 ATOM 993 HD12 ILE 63 3.144 -34.763 32.611 1.00 22.11 ATOM 994 HD13 ILE 63 4.771 -34.176 32.959 1.00 1.23 ATOM 995 C ILE 63 1.971 -35.242 36.589 1.00 11.33 ATOM 996 O ILE 63 1.719 -34.459 37.511 1.00 75.22 ATOM 997 N GLU 64 2.137 -36.547 36.788 1.00 64.21 ATOM 998 HN GLU 64 2.430 -37.112 36.038 1.00 37.80 ATOM 999 CA GLU 64 1.899 -37.160 38.101 1.00 14.43 ATOM 1000 HA GLU 64 1.141 -36.570 38.601 1.00 72.43 ATOM 1001 CB GLU 64 1.364 -38.590 37.935 1.00 44.03 ATOM 1002 HB1 GLU 64 2.147 -39.214 37.524 1.00 37.80 ATOM 1003 HB2 GLU 64 0.531 -38.573 37.245 1.00 45.51 ATOM 1004 CG GLU 64 0.889 -39.212 39.242 1.00 35.25 ATOM 1005 HG1 GLU 64 0.144 -38.562 39.681 1.00 37.80 ATOM 1006 HG2 GLU 64 1.731 -39.289 39.916 1.00 71.31 ATOM 1007 CD GLU 64 0.285 -40.594 39.063 1.00 52.53 ATOM 1008 OE1 GLU 64 -0.943 -40.692 38.857 1.00 65.22 ATOM 1009 OE2 GLU 64 1.033 -41.589 39.146 1.00 53.43 ATOM 1010 C GLU 64 3.163 -37.158 38.980 1.00 13.23 ATOM 1011 O GLU 64 3.085 -36.942 40.192 1.00 35.43 ATOM 1012 N LYS 65 4.325 -37.389 38.375 1.00 10.54 ATOM 1013 HN LYS 65 4.335 -37.573 37.408 1.00 37.80 ATOM 1014 CA LYS 65 5.595 -37.377 39.116 1.00 5.43 ATOM 1015 HA LYS 65 5.472 -36.722 39.969 1.00 1.14 ATOM 1016 CB LYS 65 5.939 -38.788 39.624 1.00 20.22 ATOM 1017 HB1 LYS 65 6.011 -39.454 38.775 1.00 37.80 ATOM 1018 HB2 LYS 65 5.140 -39.130 40.267 1.00 45.24 ATOM 1019 CG LYS 65 7.252 -38.871 40.409 1.00 1.51 ATOM 1020 HG1 LYS 65 8.053 -38.482 39.794 1.00 37.80 ATOM 1021 HG2 LYS 65 7.454 -39.908 40.643 1.00 54.20 ATOM 1022 CD LYS 65 7.197 -38.075 41.713 1.00 21.42 ATOM 1023 HD1 LYS 65 6.450 -38.514 42.359 1.00 37.80 ATOM 1024 HD2 LYS 65 6.923 -37.054 41.488 1.00 4.33 ATOM 1025 CE LYS 65 8.540 -38.073 42.440 1.00 31.44 ATOM 1026 HE1 LYS 65 8.450 -37.470 43.332 1.00 37.80 ATOM 1027 HE2 LYS 65 9.285 -37.638 41.790 1.00 43.11 ATOM 1028 NZ LYS 65 8.981 -39.441 42.826 1.00 44.10 ATOM 1029 HZ1 LYS 65 9.907 -39.397 43.302 1.00 32.02 ATOM 1030 HZ2 LYS 65 9.068 -40.043 41.984 1.00 70.50 ATOM 1031 HZ3 LYS 65 8.294 -39.873 43.475 1.00 12.23 ATOM 1032 C LYS 65 6.743 -36.838 38.250 1.00 3.34 ATOM 1033 O LYS 65 7.211 -37.509 37.330 1.00 25.10 ATOM 1034 N VAL 66 7.183 -35.620 38.550 1.00 73.14 ATOM 1035 HN VAL 66 6.735 -35.117 39.264 1.00 37.80 ATOM 1036 CA VAL 66 8.317 -35.004 37.854 1.00 44.15 ATOM 1037 HA VAL 66 8.645 -35.683 37.077 1.00 15.11 ATOM 1038 CB VAL 66 7.914 -33.659 37.191 1.00 10.43 ATOM 1039 HB VAL 66 7.099 -33.853 36.507 1.00 61.54 ATOM 1040 CG1 VAL 66 7.422 -32.660 38.238 1.00 32.43 ATOM 1041 HG11 VAL 66 8.222 -32.447 38.934 1.00 14.02 ATOM 1042 HG12 VAL 66 6.583 -33.080 38.775 1.00 4.41 ATOM 1043 HG13 VAL 66 7.116 -31.744 37.752 1.00 21.13 ATOM 1044 CG2 VAL 66 9.077 -33.070 36.389 1.00 50.24 ATOM 1045 HG21 VAL 66 9.385 -33.772 35.627 1.00 65.42 ATOM 1046 HG22 VAL 66 9.908 -32.869 37.049 1.00 25.43 ATOM 1047 HG23 VAL 66 8.762 -32.148 35.919 1.00 52.24 ATOM 1048 C VAL 66 9.480 -34.760 38.823 1.00 11.13 ATOM 1049 O VAL 66 9.269 -34.508 40.012 1.00 13.25 ATOM 1050 N TYR 67 10.705 -34.855 38.322 1.00 32.53 ATOM 1051 HN TYR 67 10.815 -35.123 37.386 1.00 37.80 ATOM 1052 CA TYR 67 11.893 -34.574 39.130 1.00 52.41 ATOM 1053 HA TYR 67 11.627 -34.700 40.170 1.00 33.44 ATOM 1054 CB TYR 67 13.017 -35.562 38.783 1.00 11.14 ATOM 1055 HB1 TYR 67 13.830 -35.437 39.485 1.00 37.80 ATOM 1056 HB2 TYR 67 13.377 -35.353 37.784 1.00 53.23 ATOM 1057 CG TYR 67 12.573 -37.015 38.831 1.00 74.30 ATOM 1058 CD1 TYR 67 12.668 -37.834 37.711 1.00 30.22 ATOM 1059 HD1 TYR 67 13.077 -37.427 36.798 1.00 54.24 ATOM 1060 CD2 TYR 67 12.044 -37.563 39.996 1.00 41.15 ATOM 1061 HD2 TYR 67 11.960 -36.943 40.877 1.00 60.04 ATOM 1062 CE1 TYR 67 12.251 -39.151 37.749 1.00 13.52 ATOM 1063 HE1 TYR 67 12.334 -39.769 36.866 1.00 25.02 ATOM 1064 CE2 TYR 67 11.626 -38.880 40.041 1.00 72.43 ATOM 1065 HE2 TYR 67 11.217 -39.286 40.956 1.00 11.25 ATOM 1066 CZ TYR 67 11.733 -39.669 38.915 1.00 71.04 ATOM 1067 OH TYR 67 11.316 -40.982 38.959 1.00 4.41 ATOM 1068 HH TYR 67 11.978 -41.545 38.534 1.00 41.23 ATOM 1069 C TYR 67 12.364 -33.127 38.911 1.00 65.32 ATOM 1070 O TYR 67 13.042 -32.832 37.924 1.00 14.53 ATOM 1071 N PRO 68 12.011 -32.201 39.832 1.00 62.34 ATOM 1072 CA PRO 68 12.331 -30.765 39.685 1.00 54.24 ATOM 1073 HA PRO 68 11.904 -30.363 38.776 1.00 13.25 ATOM 1074 CB PRO 68 11.647 -30.121 40.900 1.00 75.14 ATOM 1075 HB1 PRO 68 10.679 -29.736 40.609 1.00 37.80 ATOM 1076 HB2 PRO 68 12.257 -29.314 41.281 1.00 12.31 ATOM 1077 CG PRO 68 11.514 -31.225 41.895 1.00 25.41 ATOM 1078 HG1 PRO 68 10.673 -31.036 42.547 1.00 37.80 ATOM 1079 HG2 PRO 68 12.425 -31.313 42.472 1.00 3.31 ATOM 1080 CD PRO 68 11.282 -32.475 41.089 1.00 43.45 ATOM 1081 HD1 PRO 68 10.226 -32.615 40.899 1.00 37.80 ATOM 1082 HD2 PRO 68 11.693 -33.336 41.597 1.00 53.13 ATOM 1083 C PRO 68 13.842 -30.484 39.693 1.00 2.13 ATOM 1084 O PRO 68 14.294 -29.426 39.248 1.00 4.23 ATOM 1085 N GLU 69 14.615 -31.435 40.212 1.00 33.15 ATOM 1086 HN GLU 69 14.189 -32.217 40.618 1.00 37.80 ATOM 1087 CA GLU 69 16.078 -31.354 40.193 1.00 10.43 ATOM 1088 HA GLU 69 16.359 -30.557 39.518 1.00 64.31 ATOM 1089 CB GLU 69 16.620 -31.029 41.599 1.00 12.11 ATOM 1090 HB1 GLU 69 17.699 -30.981 41.556 1.00 37.80 ATOM 1091 HB2 GLU 69 16.332 -31.822 42.275 1.00 33.22 ATOM 1092 CG GLU 69 16.102 -29.705 42.163 1.00 73.21 ATOM 1093 HG1 GLU 69 15.025 -29.765 42.251 1.00 37.80 ATOM 1094 HG2 GLU 69 16.356 -28.911 41.474 1.00 51.24 ATOM 1095 CD GLU 69 16.682 -29.365 43.528 1.00 10.24 ATOM 1096 OE1 GLU 69 17.693 -28.631 43.584 1.00 14.00 ATOM 1097 OE2 GLU 69 16.126 -29.821 44.550 1.00 13.02 ATOM 1098 C GLU 69 16.679 -32.670 39.665 1.00 5.11 ATOM 1099 O GLU 69 17.146 -33.513 40.436 1.00 34.21 ATOM 1100 N PRO 70 16.635 -32.879 38.332 1.00 30.42 ATOM 1101 CA PRO 70 17.111 -34.121 37.712 1.00 24.14 ATOM 1102 HA PRO 70 16.763 -34.988 38.257 1.00 54.54 ATOM 1103 CB PRO 70 16.451 -34.088 36.332 1.00 24.21 ATOM 1104 HB1 PRO 70 15.482 -34.566 36.380 1.00 37.80 ATOM 1105 HB2 PRO 70 17.076 -34.605 35.615 1.00 52.41 ATOM 1106 CG PRO 70 16.326 -32.634 36.010 1.00 50.53 ATOM 1107 HG1 PRO 70 15.479 -32.473 35.359 1.00 37.80 ATOM 1108 HG2 PRO 70 17.233 -32.285 35.535 1.00 10.15 ATOM 1109 CD PRO 70 16.117 -31.924 37.328 1.00 51.40 ATOM 1110 HD1 PRO 70 15.066 -31.730 37.489 1.00 37.80 ATOM 1111 HD2 PRO 70 16.677 -31.000 37.352 1.00 3.35 ATOM 1112 C PRO 70 18.642 -34.180 37.595 1.00 51.43 ATOM 1113 O PRO 70 19.238 -33.584 36.692 1.00 20.22 ATOM 1114 N ARG 71 19.271 -34.899 38.519 1.00 63.22 ATOM 1115 HN ARG 71 18.740 -35.366 39.203 1.00 37.80 ATOM 1116 CA ARG 71 20.733 -35.004 38.554 1.00 35.41 ATOM 1117 HA ARG 71 21.143 -34.033 38.315 1.00 33.21 ATOM 1118 CB ARG 71 21.187 -35.405 39.965 1.00 73.30 ATOM 1119 HB1 ARG 71 20.961 -36.453 40.116 1.00 37.80 ATOM 1120 HB2 ARG 71 20.630 -34.824 40.685 1.00 43.44 ATOM 1121 CG ARG 71 22.676 -35.195 40.234 1.00 0.33 ATOM 1122 HG1 ARG 71 23.246 -35.685 39.459 1.00 37.80 ATOM 1123 HG2 ARG 71 22.923 -35.629 41.193 1.00 1.31 ATOM 1124 CD ARG 71 23.041 -33.713 40.257 1.00 72.13 ATOM 1125 HD1 ARG 71 22.365 -33.199 40.928 1.00 37.80 ATOM 1126 HD2 ARG 71 22.927 -33.311 39.260 1.00 52.31 ATOM 1127 NE ARG 71 24.416 -33.488 40.701 1.00 25.00 ATOM 1128 HE ARG 71 25.092 -34.144 40.439 1.00 71.22 ATOM 1129 CZ ARG 71 24.795 -32.471 41.428 1.00 32.23 ATOM 1130 NH1 ARG 71 23.945 -31.568 41.795 1.00 64.53 ATOM 1131 HH11 ARG 71 22.987 -31.643 41.523 1.00 0.23 ATOM 1132 HH12 ARG 71 24.247 -30.796 42.350 1.00 61.12 ATOM 1133 NH2 ARG 71 26.031 -32.365 41.786 1.00 31.52 ATOM 1134 HH21 ARG 71 26.690 -33.059 41.504 1.00 62.21 ATOM 1135 HH22 ARG 71 26.325 -31.594 42.346 1.00 62.50 ATOM 1136 C ARG 71 21.244 -36.031 37.530 1.00 52.35 ATOM 1137 O ARG 71 22.203 -35.775 36.795 1.00 71.23 ATOM 1138 N SER 72 20.593 -37.190 37.491 1.00 44.12 ATOM 1139 HN SER 72 19.814 -37.310 38.074 1.00 37.80 ATOM 1140 CA SER 72 21.001 -38.299 36.613 1.00 14.41 ATOM 1141 HA SER 72 22.039 -38.156 36.346 1.00 30.12 ATOM 1142 CB SER 72 20.856 -39.638 37.355 1.00 42.43 ATOM 1143 HB1 SER 72 21.365 -40.413 36.798 1.00 37.80 ATOM 1144 HB2 SER 72 19.808 -39.889 37.443 1.00 34.51 ATOM 1145 OG SER 72 21.415 -39.571 38.659 1.00 3.33 ATOM 1146 HG SER 72 20.713 -39.359 39.296 1.00 11.42 ATOM 1147 C SER 72 20.155 -38.346 35.332 1.00 3.31 ATOM 1148 O SER 72 19.040 -37.819 35.291 1.00 34.43 ATOM 1149 N GLU 73 20.680 -39.002 34.295 1.00 21.22 ATOM 1150 HN GLU 73 21.592 -39.362 34.370 1.00 37.80 ATOM 1151 CA GLU 73 19.941 -39.188 33.036 1.00 64.43 ATOM 1152 HA GLU 73 19.742 -38.210 32.623 1.00 51.10 ATOM 1153 CB GLU 73 20.787 -39.987 32.038 1.00 53.40 ATOM 1154 HB1 GLU 73 20.182 -40.215 31.170 1.00 37.80 ATOM 1155 HB2 GLU 73 21.094 -40.914 32.503 1.00 72.04 ATOM 1156 CG GLU 73 22.034 -39.253 31.568 1.00 24.34 ATOM 1157 HG1 GLU 73 22.588 -38.914 32.432 1.00 37.80 ATOM 1158 HG2 GLU 73 21.733 -38.398 30.979 1.00 73.14 ATOM 1159 CD GLU 73 22.934 -40.133 30.724 1.00 5.23 ATOM 1160 OE1 GLU 73 23.772 -40.857 31.301 1.00 74.42 ATOM 1161 OE2 GLU 73 22.803 -40.113 29.481 1.00 73.34 ATOM 1162 C GLU 73 18.604 -39.904 33.271 1.00 72.35 ATOM 1163 O GLU 73 17.567 -39.481 32.763 1.00 51.33 ATOM 1164 N SER 74 18.633 -40.980 34.055 1.00 62.15 ATOM 1165 HN SER 74 19.494 -41.285 34.412 1.00 37.80 ATOM 1166 CA SER 74 17.415 -41.742 34.382 1.00 13.34 ATOM 1167 HA SER 74 17.026 -42.147 33.459 1.00 32.24 ATOM 1168 CB SER 74 17.750 -42.904 35.324 1.00 1.21 ATOM 1169 HB1 SER 74 16.850 -43.464 35.539 1.00 37.80 ATOM 1170 HB2 SER 74 18.161 -42.515 36.244 1.00 64.01 ATOM 1171 OG SER 74 18.700 -43.777 34.733 1.00 63.13 ATOM 1172 HG SER 74 18.770 -44.580 35.267 1.00 50.42 ATOM 1173 C SER 74 16.336 -40.854 35.018 1.00 32.44 ATOM 1174 O SER 74 15.157 -41.200 35.026 1.00 40.32 ATOM 1175 N GLU 75 16.752 -39.719 35.572 1.00 55.52 ATOM 1176 HN GLU 75 17.713 -39.541 35.619 1.00 37.80 ATOM 1177 CA GLU 75 15.818 -38.726 36.111 1.00 72.12 ATOM 1178 HA GLU 75 14.967 -39.249 36.526 1.00 24.13 ATOM 1179 CB GLU 75 16.499 -37.913 37.218 1.00 40.10 ATOM 1180 HB1 GLU 75 15.793 -37.189 37.601 1.00 37.80 ATOM 1181 HB2 GLU 75 17.340 -37.384 36.790 1.00 14.43 ATOM 1182 CG GLU 75 17.007 -38.747 38.387 1.00 1.21 ATOM 1183 HG1 GLU 75 17.644 -39.533 38.004 1.00 37.80 ATOM 1184 HG2 GLU 75 16.161 -39.186 38.897 1.00 53.31 ATOM 1185 CD GLU 75 17.797 -37.914 39.382 1.00 12.41 ATOM 1186 OE1 GLU 75 17.234 -36.943 39.920 1.00 31.20 ATOM 1187 OE2 GLU 75 18.984 -38.213 39.616 1.00 62.02 ATOM 1188 C GLU 75 15.335 -37.774 35.007 1.00 32.25 ATOM 1189 O GLU 75 14.140 -37.671 34.728 1.00 42.14 ATOM 1190 N CYS 76 16.291 -37.096 34.374 1.00 70.03 ATOM 1191 HN CYS 76 17.228 -37.283 34.604 1.00 37.80 ATOM 1192 CA CYS 76 16.005 -36.081 33.349 1.00 24.23 ATOM 1193 HA CYS 76 15.441 -35.287 33.819 1.00 45.31 ATOM 1194 CB CYS 76 17.323 -35.502 32.817 1.00 24.55 ATOM 1195 HB1 CYS 76 17.831 -36.257 32.233 1.00 37.80 ATOM 1196 HB2 CYS 76 17.948 -35.224 33.652 1.00 45.15 ATOM 1197 SG CYS 76 17.132 -34.041 31.775 1.00 75.31 ATOM 1198 HG CYS 76 16.262 -34.323 30.815 1.00 63.41 ATOM 1199 C CYS 76 15.175 -36.656 32.188 1.00 74.43 ATOM 1200 O CYS 76 14.187 -36.059 31.758 1.00 51.24 ATOM 1201 N LEU 77 15.579 -37.824 31.697 1.00 30.42 ATOM 1202 HN LEU 77 16.385 -38.239 32.068 1.00 37.80 ATOM 1203 CA LEU 77 14.860 -38.508 30.617 1.00 3.43 ATOM 1204 HA LEU 77 14.818 -37.834 29.772 1.00 11.44 ATOM 1205 CB LEU 77 15.616 -39.778 30.198 1.00 13.22 ATOM 1206 HB1 LEU 77 15.011 -40.311 29.477 1.00 37.80 ATOM 1207 HB2 LEU 77 15.735 -40.404 31.073 1.00 73.03 ATOM 1208 CG LEU 77 17.006 -39.541 29.579 1.00 32.24 ATOM 1209 HG LEU 77 17.602 -38.959 30.268 1.00 44.32 ATOM 1210 CD1 LEU 77 17.733 -40.864 29.340 1.00 0.50 ATOM 1211 HD11 LEU 77 17.835 -41.393 30.277 1.00 22.41 ATOM 1212 HD12 LEU 77 18.715 -40.667 28.933 1.00 33.44 ATOM 1213 HD13 LEU 77 17.169 -41.468 28.643 1.00 74.15 ATOM 1214 CD2 LEU 77 16.886 -38.750 28.279 1.00 75.45 ATOM 1215 HD21 LEU 77 16.430 -37.792 28.482 1.00 61.55 ATOM 1216 HD22 LEU 77 16.275 -39.298 27.576 1.00 15.25 ATOM 1217 HD23 LEU 77 17.869 -38.596 27.857 1.00 74.14 ATOM 1218 C LEU 77 13.423 -38.864 31.031 1.00 12.22 ATOM 1219 O LEU 77 12.497 -38.776 30.227 1.00 64.22 ATOM 1220 N SER 78 13.242 -39.258 32.293 1.00 14.41 ATOM 1221 HN SER 78 14.016 -39.309 32.891 1.00 37.80 ATOM 1222 CA SER 78 11.911 -39.615 32.810 1.00 62.12 ATOM 1223 HA SER 78 11.499 -40.365 32.146 1.00 0.31 ATOM 1224 CB SER 78 12.013 -40.218 34.217 1.00 2.53 ATOM 1225 HB1 SER 78 11.021 -40.357 34.623 1.00 37.80 ATOM 1226 HB2 SER 78 12.573 -39.550 34.856 1.00 25.31 ATOM 1227 OG SER 78 12.672 -41.476 34.184 1.00 62.25 ATOM 1228 HG SER 78 13.220 -41.572 34.972 1.00 65.31 ATOM 1229 C SER 78 10.964 -38.410 32.818 1.00 14.03 ATOM 1230 O SER 78 9.775 -38.554 32.537 1.00 62.22 ATOM 1231 N ASN 79 11.491 -37.225 33.134 1.00 14.31 ATOM 1232 HN ASN 79 12.425 -37.180 33.431 1.00 37.80 ATOM 1233 CA ASN 79 10.698 -35.987 33.060 1.00 73.02 ATOM 1234 HA ASN 79 9.870 -36.082 33.749 1.00 34.30 ATOM 1235 CB ASN 79 11.543 -34.769 33.453 1.00 3.14 ATOM 1236 HB1 ASN 79 10.934 -33.878 33.379 1.00 37.80 ATOM 1237 HB2 ASN 79 12.377 -34.683 32.770 1.00 53.10 ATOM 1238 CG ASN 79 12.089 -34.856 34.865 1.00 74.22 ATOM 1239 OD1 ASN 79 11.521 -35.517 35.725 1.00 64.20 ATOM 1240 ND2 ASN 79 13.188 -34.173 35.122 1.00 23.11 ATOM 1241 HD21 ASN 79 13.589 -33.650 34.396 1.00 72.10 ATOM 1242 HD22 ASN 79 13.546 -34.207 36.031 1.00 40.04 ATOM 1243 C ASN 79 10.147 -35.783 31.643 1.00 11.41 ATOM 1244 O ASN 79 8.964 -35.484 31.452 1.00 22.12 ATOM 1245 N ILE 80 11.019 -35.952 30.653 1.00 53.53 ATOM 1246 HN ILE 80 11.954 -36.150 30.874 1.00 37.80 ATOM 1247 CA ILE 80 10.627 -35.844 29.247 1.00 12.34 ATOM 1248 HA ILE 80 10.157 -34.879 29.105 1.00 53.42 ATOM 1249 CB ILE 80 11.861 -35.929 28.310 1.00 5.23 ATOM 1250 HB ILE 80 12.283 -36.923 28.398 1.00 43.44 ATOM 1251 CG1 ILE 80 12.923 -34.894 28.726 1.00 31.11 ATOM 1252 HG11 ILE 80 13.195 -35.063 29.758 1.00 37.80 ATOM 1253 HG12 ILE 80 12.508 -33.902 28.628 1.00 54.32 ATOM 1254 CG2 ILE 80 11.444 -35.717 26.854 1.00 11.03 ATOM 1255 HG21 ILE 80 12.313 -35.784 26.214 1.00 64.40 ATOM 1256 HG22 ILE 80 10.993 -34.741 26.746 1.00 51.23 ATOM 1257 HG23 ILE 80 10.729 -36.476 26.567 1.00 2.32 ATOM 1258 CD1 ILE 80 14.192 -34.944 27.898 1.00 13.13 ATOM 1259 HD11 ILE 80 14.875 -34.180 28.241 1.00 40.14 ATOM 1260 HD12 ILE 80 13.952 -34.770 26.859 1.00 71.41 ATOM 1261 HD13 ILE 80 14.656 -35.914 28.003 1.00 63.34 ATOM 1262 C ILE 80 9.627 -36.949 28.868 1.00 34.43 ATOM 1263 O ILE 80 8.631 -36.692 28.195 1.00 65.32 ATOM 1264 N ARG 81 9.891 -38.178 29.319 1.00 43.35 ATOM 1265 HN ARG 81 10.696 -38.321 29.861 1.00 37.80 ATOM 1266 CA ARG 81 9.015 -39.324 29.023 1.00 60.32 ATOM 1267 HA ARG 81 8.871 -39.342 27.951 1.00 14.21 ATOM 1268 CB ARG 81 9.689 -40.642 29.441 1.00 51.44 ATOM 1269 HB1 ARG 81 8.988 -41.454 29.306 1.00 37.80 ATOM 1270 HB2 ARG 81 9.964 -40.583 30.486 1.00 1.30 ATOM 1271 CG ARG 81 10.943 -40.953 28.628 1.00 72.10 ATOM 1272 HG1 ARG 81 11.666 -40.165 28.789 1.00 37.80 ATOM 1273 HG2 ARG 81 10.679 -40.986 27.581 1.00 60.31 ATOM 1274 CD ARG 81 11.573 -42.289 29.013 1.00 14.02 ATOM 1275 HD1 ARG 81 12.431 -42.461 28.377 1.00 37.80 ATOM 1276 HD2 ARG 81 10.848 -43.074 28.851 1.00 51.11 ATOM 1277 NE ARG 81 12.000 -42.325 30.413 1.00 34.32 ATOM 1278 HE ARG 81 11.351 -42.049 31.092 1.00 14.44 ATOM 1279 CZ ARG 81 13.172 -42.743 30.814 1.00 71.11 ATOM 1280 NH1 ARG 81 14.089 -43.061 29.956 1.00 15.44 ATOM 1281 HH11 ARG 81 13.907 -42.985 28.976 1.00 74.30 ATOM 1282 HH12 ARG 81 14.975 -43.384 30.277 1.00 62.52 ATOM 1283 NH2 ARG 81 13.440 -42.813 32.079 1.00 65.52 ATOM 1284 HH21 ARG 81 12.751 -42.543 32.754 1.00 32.01 ATOM 1285 HH22 ARG 81 14.332 -43.144 32.381 1.00 13.13 ATOM 1286 C ARG 81 7.632 -39.180 29.684 1.00 35.43 ATOM 1287 O ARG 81 6.638 -39.682 29.162 1.00 73.22 ATOM 1288 N GLU 82 7.574 -38.498 30.829 1.00 64.13 ATOM 1289 HN GLU 82 8.408 -38.231 31.268 1.00 37.80 ATOM 1290 CA GLU 82 6.292 -38.143 31.459 1.00 45.01 ATOM 1291 HA GLU 82 5.725 -39.055 31.598 1.00 55.01 ATOM 1292 CB GLU 82 6.540 -37.486 32.831 1.00 35.34 ATOM 1293 HB1 GLU 82 7.267 -36.695 32.707 1.00 37.80 ATOM 1294 HB2 GLU 82 6.951 -38.229 33.501 1.00 42.42 ATOM 1295 CG GLU 82 5.295 -36.888 33.493 1.00 52.21 ATOM 1296 HG1 GLU 82 4.814 -36.229 32.783 1.00 37.80 ATOM 1297 HG2 GLU 82 5.609 -36.310 34.348 1.00 70.24 ATOM 1298 CD GLU 82 4.276 -37.923 33.958 1.00 45.02 ATOM 1299 OE1 GLU 82 4.026 -38.021 35.181 1.00 32.42 ATOM 1300 OE2 GLU 82 3.708 -38.632 33.106 1.00 41.14 ATOM 1301 C GLU 82 5.494 -37.197 30.543 1.00 73.11 ATOM 1302 O GLU 82 4.309 -37.413 30.275 1.00 63.14 ATOM 1303 N PHE 83 6.168 -36.156 30.052 1.00 52.15 ATOM 1304 HN PHE 83 7.086 -36.000 30.363 1.00 37.80 ATOM 1305 CA PHE 83 5.586 -35.234 29.068 1.00 23.23 ATOM 1306 HA PHE 83 4.744 -34.738 29.532 1.00 64.15 ATOM 1307 CB PHE 83 6.635 -34.179 28.676 1.00 22.02 ATOM 1308 HB1 PHE 83 7.543 -34.684 28.373 1.00 37.80 ATOM 1309 HB2 PHE 83 6.851 -33.562 29.536 1.00 21.42 ATOM 1310 CG PHE 83 6.214 -33.267 27.552 1.00 25.04 ATOM 1311 CD1 PHE 83 6.720 -33.443 26.270 1.00 65.04 ATOM 1312 HD1 PHE 83 7.420 -34.244 26.081 1.00 44.42 ATOM 1313 CD2 PHE 83 5.315 -32.236 27.776 1.00 40.02 ATOM 1314 HD2 PHE 83 4.912 -32.087 28.768 1.00 53.34 ATOM 1315 CE1 PHE 83 6.340 -32.606 25.240 1.00 71.34 ATOM 1316 HE1 PHE 83 6.742 -32.752 24.248 1.00 5.04 ATOM 1317 CE2 PHE 83 4.932 -31.398 26.748 1.00 15.12 ATOM 1318 HE2 PHE 83 4.229 -30.597 26.936 1.00 1.41 ATOM 1319 CZ PHE 83 5.444 -31.583 25.479 1.00 65.22 ATOM 1320 HZ PHE 83 5.145 -30.927 24.674 1.00 63.10 ATOM 1321 C PHE 83 5.095 -35.996 27.821 1.00 75.13 ATOM 1322 O PHE 83 3.974 -35.791 27.346 1.00 62.21 ATOM 1323 N LEU 84 5.948 -36.882 27.305 1.00 23.52 ATOM 1324 HN LEU 84 6.836 -36.970 27.710 1.00 37.80 ATOM 1325 CA LEU 84 5.606 -37.722 26.149 1.00 43.31 ATOM 1326 HA LEU 84 5.354 -37.067 25.327 1.00 75.43 ATOM 1327 CB LEU 84 6.812 -38.585 25.746 1.00 11.41 ATOM 1328 HB1 LEU 84 6.523 -39.201 24.905 1.00 37.80 ATOM 1329 HB2 LEU 84 7.055 -39.235 26.577 1.00 35.51 ATOM 1330 CG LEU 84 8.078 -37.804 25.357 1.00 33.44 ATOM 1331 HG LEU 84 8.378 -37.185 26.190 1.00 53.00 ATOM 1332 CD1 LEU 84 9.232 -38.757 25.053 1.00 14.33 ATOM 1333 HD11 LEU 84 8.957 -39.412 24.238 1.00 50.11 ATOM 1334 HD12 LEU 84 9.453 -39.348 25.930 1.00 3.50 ATOM 1335 HD13 LEU 84 10.108 -38.187 24.777 1.00 32.44 ATOM 1336 CD2 LEU 84 7.805 -36.885 24.167 1.00 10.04 ATOM 1337 HD21 LEU 84 8.711 -36.359 23.900 1.00 34.52 ATOM 1338 HD22 LEU 84 7.042 -36.168 24.433 1.00 51.13 ATOM 1339 HD23 LEU 84 7.468 -37.472 23.325 1.00 34.42 ATOM 1340 C LEU 84 4.401 -38.625 26.449 1.00 40.20 ATOM 1341 O LEU 84 3.519 -38.802 25.608 1.00 71.23 ATOM 1342 N ARG 85 4.374 -39.191 27.656 1.00 62.44 ATOM 1343 HN ARG 85 5.116 -39.022 28.274 1.00 37.80 ATOM 1344 CA ARG 85 3.274 -40.058 28.088 1.00 65.44 ATOM 1345 HA ARG 85 3.209 -40.880 27.389 1.00 34.31 ATOM 1346 CB ARG 85 3.549 -40.616 29.495 1.00 72.41 ATOM 1347 HB1 ARG 85 3.502 -39.805 30.207 1.00 37.80 ATOM 1348 HB2 ARG 85 4.543 -41.040 29.515 1.00 60.13 ATOM 1349 CG ARG 85 2.555 -41.693 29.931 1.00 12.43 ATOM 1350 HG1 ARG 85 2.650 -42.542 29.268 1.00 37.80 ATOM 1351 HG2 ARG 85 1.553 -41.293 29.858 1.00 74.44 ATOM 1352 CD ARG 85 2.792 -42.157 31.366 1.00 1.12 ATOM 1353 HD1 ARG 85 3.802 -42.531 31.449 1.00 37.80 ATOM 1354 HD2 ARG 85 2.098 -42.955 31.590 1.00 71.12 ATOM 1355 NE ARG 85 2.607 -41.074 32.331 1.00 32.44 ATOM 1356 HE ARG 85 3.240 -40.324 32.298 1.00 43.11 ATOM 1357 CZ ARG 85 1.666 -41.037 33.234 1.00 61.52 ATOM 1358 NH1 ARG 85 0.796 -41.993 33.329 1.00 61.34 ATOM 1359 HH11 ARG 85 0.838 -42.770 32.705 1.00 44.51 ATOM 1360 HH12 ARG 85 0.089 -41.955 34.032 1.00 64.12 ATOM 1361 NH2 ARG 85 1.600 -40.035 34.046 1.00 65.15 ATOM 1362 HH21 ARG 85 2.274 -39.298 33.977 1.00 11.21 ATOM 1363 HH22 ARG 85 0.871 -39.988 34.724 1.00 24.11 ATOM 1364 C ARG 85 1.940 -39.296 28.082 1.00 13.02 ATOM 1365 O ARG 85 0.935 -39.781 27.555 1.00 61.35 ATOM 1366 N GLY 86 1.944 -38.100 28.667 1.00 64.12 ATOM 1367 HN GLY 86 2.772 -37.780 29.092 1.00 37.80 ATOM 1368 CA GLY 86 0.746 -37.268 28.698 1.00 21.15 ATOM 1369 HA1 GLY 86 0.970 -36.360 29.239 1.00 37.80 ATOM 1370 HA2 GLY 86 -0.033 -37.801 29.224 1.00 73.34 ATOM 1371 C GLY 86 0.236 -36.896 27.307 1.00 22.03 ATOM 1372 O GLY 86 -0.919 -37.165 26.969 1.00 30.21 ATOM 1373 N CYS 87 1.096 -36.282 26.497 1.00 61.43 ATOM 1374 HN CYS 87 2.001 -36.082 26.827 1.00 37.80 ATOM 1375 CA CYS 87 0.729 -35.886 25.128 1.00 61.20 ATOM 1376 HA CYS 87 -0.123 -35.224 25.200 1.00 35.25 ATOM 1377 CB CYS 87 1.884 -35.130 24.461 1.00 34.10 ATOM 1378 HB1 CYS 87 1.609 -34.891 23.443 1.00 37.80 ATOM 1379 HB2 CYS 87 2.762 -35.762 24.449 1.00 33.21 ATOM 1380 SG CYS 87 2.330 -33.586 25.292 1.00 22.50 ATOM 1381 HG CYS 87 3.488 -33.178 24.797 1.00 3.15 ATOM 1382 C CYS 87 0.334 -37.097 24.268 1.00 23.32 ATOM 1383 O CYS 87 -0.579 -37.015 23.446 1.00 3.13 ATOM 1384 N GLY 88 1.026 -38.216 24.467 1.00 3.51 ATOM 1385 HN GLY 88 1.756 -38.215 25.120 1.00 37.80 ATOM 1386 CA GLY 88 0.729 -39.437 23.722 1.00 73.14 ATOM 1387 HA1 GLY 88 1.551 -40.125 23.851 1.00 37.80 ATOM 1388 HA2 GLY 88 0.645 -39.191 22.672 1.00 43.14 ATOM 1389 C GLY 88 -0.561 -40.127 24.168 1.00 75.24 ATOM 1390 O GLY 88 -1.175 -40.866 23.399 1.00 41.25 ATOM 1391 N ALA 89 -0.970 -39.902 25.416 1.00 21.11 ATOM 1392 HN ALA 89 -0.422 -39.334 26.001 1.00 37.80 ATOM 1393 CA ALA 89 -2.207 -40.495 25.945 1.00 4.25 ATOM 1394 HA ALA 89 -2.392 -41.412 25.401 1.00 50.11 ATOM 1395 CB ALA 89 -2.036 -40.853 27.419 1.00 71.43 ATOM 1396 HB1 ALA 89 -1.906 -39.950 27.998 1.00 22.02 ATOM 1397 HB2 ALA 89 -1.166 -41.483 27.538 1.00 3.52 ATOM 1398 HB3 ALA 89 -2.912 -41.382 27.767 1.00 22.13 ATOM 1399 C ALA 89 -3.419 -39.563 25.764 1.00 40.51 ATOM 1400 O ALA 89 -4.395 -39.912 25.098 1.00 73.35 ATOM 1401 N SER 90 -3.342 -38.373 26.356 1.00 73.32 ATOM 1402 HN SER 90 -2.512 -38.130 26.819 1.00 37.80 ATOM 1403 CA SER 90 -4.454 -37.409 26.339 1.00 20.33 ATOM 1404 HA SER 90 -5.338 -37.919 26.698 1.00 12.22 ATOM 1405 CB SER 90 -4.145 -36.234 27.282 1.00 14.40 ATOM 1406 HB1 SER 90 -3.266 -35.715 26.928 1.00 37.80 ATOM 1407 HB2 SER 90 -3.958 -36.613 28.276 1.00 21.40 ATOM 1408 OG SER 90 -5.221 -35.312 27.349 1.00 0.03 ATOM 1409 HG SER 90 -5.113 -34.752 28.131 1.00 2.23 ATOM 1410 C SER 90 -4.733 -36.881 24.922 1.00 13.10 ATOM 1411 O SER 90 -5.883 -36.813 24.487 1.00 42.30 ATOM 1412 N LEU 91 -3.676 -36.517 24.199 1.00 41.11 ATOM 1413 HN LEU 91 -2.780 -36.615 24.585 1.00 37.80 ATOM 1414 CA LEU 91 -3.814 -35.957 22.844 1.00 25.41 ATOM 1415 HA LEU 91 -4.822 -35.576 22.748 1.00 52.11 ATOM 1416 CB LEU 91 -2.832 -34.791 22.671 1.00 75.44 ATOM 1417 HB1 LEU 91 -2.845 -34.484 21.635 1.00 37.80 ATOM 1418 HB2 LEU 91 -1.839 -35.147 22.911 1.00 23.24 ATOM 1419 CG LEU 91 -3.132 -33.558 23.543 1.00 5.04 ATOM 1420 HG LEU 91 -3.300 -33.878 24.561 1.00 23.33 ATOM 1421 CD1 LEU 91 -1.951 -32.595 23.546 1.00 11.51 ATOM 1422 HD11 LEU 91 -1.759 -32.253 22.539 1.00 21.12 ATOM 1423 HD12 LEU 91 -1.074 -33.100 23.927 1.00 74.24 ATOM 1424 HD13 LEU 91 -2.177 -31.747 24.177 1.00 31.22 ATOM 1425 CD2 LEU 91 -4.398 -32.855 23.054 1.00 13.14 ATOM 1426 HD21 LEU 91 -4.593 -31.993 23.673 1.00 72.22 ATOM 1427 HD22 LEU 91 -5.235 -33.536 23.110 1.00 54.43 ATOM 1428 HD23 LEU 91 -4.261 -32.536 22.028 1.00 64.34 ATOM 1429 C LEU 91 -3.589 -37.014 21.745 1.00 14.34 ATOM 1430 O LEU 91 -4.258 -36.989 20.711 1.00 2.22 ATOM 1431 N ARG 92 -2.648 -37.935 21.978 1.00 21.44 ATOM 1432 HN ARG 92 -2.159 -37.902 22.825 1.00 37.80 ATOM 1433 CA ARG 92 -2.318 -39.003 21.014 1.00 43.31 ATOM 1434 HA ARG 92 -1.585 -39.640 21.489 1.00 34.23 ATOM 1435 CB ARG 92 -3.562 -39.851 20.694 1.00 24.32 ATOM 1436 HB1 ARG 92 -3.335 -40.507 19.864 1.00 37.80 ATOM 1437 HB2 ARG 92 -4.369 -39.191 20.407 1.00 62.03 ATOM 1438 CG ARG 92 -4.037 -40.708 21.864 1.00 3.31 ATOM 1439 HG1 ARG 92 -4.269 -40.061 22.700 1.00 37.80 ATOM 1440 HG2 ARG 92 -3.245 -41.387 22.145 1.00 24.01 ATOM 1441 CD ARG 92 -5.277 -41.519 21.509 1.00 12.45 ATOM 1442 HD1 ARG 92 -5.487 -42.204 22.317 1.00 37.80 ATOM 1443 HD2 ARG 92 -5.079 -42.081 20.606 1.00 32.34 ATOM 1444 NE ARG 92 -6.447 -40.670 21.295 1.00 52.44 ATOM 1445 HE ARG 92 -6.474 -39.811 21.766 1.00 44.13 ATOM 1446 CZ ARG 92 -7.463 -40.990 20.542 1.00 72.41 ATOM 1447 NH1 ARG 92 -7.471 -42.095 19.866 1.00 41.14 ATOM 1448 HH11 ARG 92 -6.692 -42.716 19.914 1.00 13.51 ATOM 1449 HH12 ARG 92 -8.253 -42.317 19.288 1.00 63.44 ATOM 1450 NH2 ARG 92 -8.470 -40.188 20.453 1.00 35.34 ATOM 1451 HH21 ARG 92 -8.464 -39.325 20.954 1.00 62.14 ATOM 1452 HH22 ARG 92 -9.258 -40.436 19.895 1.00 12.53 ATOM 1453 C ARG 92 -1.689 -38.452 19.718 1.00 52.35 ATOM 1454 O ARG 92 -1.803 -39.060 18.652 1.00 70.42 ATOM 1455 N LEU 93 -0.994 -37.320 19.826 1.00 64.31 ATOM 1456 HN LEU 93 -0.944 -36.879 20.699 1.00 37.80 ATOM 1457 CA LEU 93 -0.301 -36.715 18.677 1.00 1.05 ATOM 1458 HA LEU 93 -0.917 -36.880 17.803 1.00 21.00 ATOM 1459 CB LEU 93 -0.159 -35.194 18.899 1.00 61.32 ATOM 1460 HB1 LEU 93 -1.153 -34.771 18.941 1.00 37.80 ATOM 1461 HB2 LEU 93 0.349 -34.775 18.040 1.00 74.52 ATOM 1462 CG LEU 93 0.604 -34.760 20.173 1.00 65.02 ATOM 1463 HG LEU 93 0.471 -35.517 20.934 1.00 14.53 ATOM 1464 CD1 LEU 93 2.101 -34.635 19.908 1.00 14.24 ATOM 1465 HD11 LEU 93 2.603 -34.329 20.814 1.00 44.11 ATOM 1466 HD12 LEU 93 2.270 -33.896 19.137 1.00 43.04 ATOM 1467 HD13 LEU 93 2.491 -35.588 19.584 1.00 42.42 ATOM 1468 CD2 LEU 93 0.052 -33.447 20.724 1.00 52.53 ATOM 1469 HD21 LEU 93 0.572 -33.193 21.639 1.00 55.50 ATOM 1470 HD22 LEU 93 -1.002 -33.558 20.931 1.00 15.14 ATOM 1471 HD23 LEU 93 0.195 -32.659 19.998 1.00 21.34 ATOM 1472 C LEU 93 1.072 -37.378 18.430 1.00 62.40 ATOM 1473 O LEU 93 1.481 -38.276 19.173 1.00 61.51 ATOM 1474 N GLU 94 1.784 -36.934 17.391 1.00 63.30 ATOM 1475 HN GLU 94 1.436 -36.192 16.855 1.00 37.80 ATOM 1476 CA GLU 94 3.095 -37.513 17.051 1.00 73.20 ATOM 1477 HA GLU 94 3.038 -38.570 17.286 1.00 10.23 ATOM 1478 CB GLU 94 3.409 -37.378 15.539 1.00 14.51 ATOM 1479 HB1 GLU 94 3.171 -38.317 15.056 1.00 37.80 ATOM 1480 HB2 GLU 94 4.468 -37.195 15.419 1.00 61.33 ATOM 1481 CG GLU 94 2.657 -36.266 14.799 1.00 70.23 ATOM 1482 HG1 GLU 94 1.594 -36.430 14.925 1.00 37.80 ATOM 1483 HG2 GLU 94 2.898 -36.330 13.748 1.00 72.55 ATOM 1484 CD GLU 94 2.992 -34.862 15.282 1.00 22.42 ATOM 1485 OE1 GLU 94 2.252 -34.340 16.142 1.00 32.35 ATOM 1486 OE2 GLU 94 3.978 -34.267 14.783 1.00 52.21 ATOM 1487 C GLU 94 4.223 -36.912 17.909 1.00 41.21 ATOM 1488 O GLU 94 4.836 -35.903 17.554 1.00 10.43 ATOM 1489 N THR 95 4.480 -37.549 19.051 1.00 61.15 ATOM 1490 HN THR 95 3.968 -38.357 19.263 1.00 37.80 ATOM 1491 CA THR 95 5.501 -37.082 20.001 1.00 13.25 ATOM 1492 HA THR 95 5.421 -36.005 20.069 1.00 62.12 ATOM 1493 CB THR 95 5.262 -37.669 21.415 1.00 33.54 ATOM 1494 HB THR 95 6.060 -37.336 22.067 1.00 62.13 ATOM 1495 OG1 THR 95 5.275 -39.105 21.366 1.00 12.00 ATOM 1496 HG1 THR 95 4.376 -39.429 21.223 1.00 31.11 ATOM 1497 CG2 THR 95 3.932 -37.194 21.994 1.00 52.54 ATOM 1498 HG21 THR 95 3.927 -36.114 22.055 1.00 2.13 ATOM 1499 HG22 THR 95 3.802 -37.609 22.984 1.00 13.32 ATOM 1500 HG23 THR 95 3.122 -37.522 21.358 1.00 34.30 ATOM 1501 C THR 95 6.929 -37.436 19.548 1.00 52.33 ATOM 1502 O THR 95 7.133 -38.047 18.497 1.00 2.41 ATOM 1503 N PHE 96 7.917 -37.045 20.352 1.00 71.43 ATOM 1504 HN PHE 96 7.694 -36.595 21.193 1.00 37.80 ATOM 1505 CA PHE 96 9.330 -37.273 20.025 1.00 21.51 ATOM 1506 HA PHE 96 9.381 -37.709 19.035 1.00 24.11 ATOM 1507 CB PHE 96 10.082 -35.934 20.014 1.00 51.15 ATOM 1508 HB1 PHE 96 9.657 -35.302 19.248 1.00 37.80 ATOM 1509 HB2 PHE 96 11.122 -36.114 19.779 1.00 72.22 ATOM 1510 CG PHE 96 10.023 -35.180 21.325 1.00 71.13 ATOM 1511 CD1 PHE 96 8.960 -34.331 21.609 1.00 12.12 ATOM 1512 HD1 PHE 96 8.166 -34.217 20.886 1.00 2.01 ATOM 1513 CD2 PHE 96 11.033 -35.312 22.268 1.00 14.11 ATOM 1514 HD2 PHE 96 11.866 -35.969 22.063 1.00 53.41 ATOM 1515 CE1 PHE 96 8.908 -33.634 22.802 1.00 34.22 ATOM 1516 HE1 PHE 96 8.076 -32.979 23.010 1.00 10.21 ATOM 1517 CE2 PHE 96 10.984 -34.618 23.462 1.00 60.55 ATOM 1518 HE2 PHE 96 11.780 -34.732 24.185 1.00 74.23 ATOM 1519 CZ PHE 96 9.921 -33.778 23.729 1.00 12.22 ATOM 1520 HZ PHE 96 9.882 -33.234 24.662 1.00 50.25 ATOM 1521 C PHE 96 9.994 -38.237 21.020 1.00 73.54 ATOM 1522 O PHE 96 9.355 -38.723 21.951 1.00 1.43 ATOM 1523 N ASP 97 11.277 -38.520 20.803 1.00 71.10 ATOM 1524 HN ASP 97 11.711 -38.169 19.999 1.00 37.80 ATOM 1525 CA ASP 97 12.058 -39.353 21.721 1.00 4.35 ATOM 1526 HA ASP 97 11.374 -39.994 22.260 1.00 44.03 ATOM 1527 CB ASP 97 13.042 -40.220 20.935 1.00 4.13 ATOM 1528 HB1 ASP 97 13.547 -40.893 21.618 1.00 37.80 ATOM 1529 HB2 ASP 97 13.777 -39.582 20.465 1.00 54.13 ATOM 1530 CG ASP 97 12.364 -41.044 19.855 1.00 62.05 ATOM 1531 OD1 ASP 97 12.203 -42.268 20.047 1.00 64.42 ATOM 1532 OD2 ASP 97 11.988 -40.474 18.810 1.00 62.14 ATOM 1533 C ASP 97 12.829 -38.484 22.730 1.00 12.43 ATOM 1534 O ASP 97 13.424 -37.465 22.366 1.00 21.43 ATOM 1535 N ALA 98 12.822 -38.900 23.993 1.00 33.40 ATOM 1536 HN ALA 98 12.339 -39.724 24.215 1.00 37.80 ATOM 1537 CA ALA 98 13.501 -38.165 25.068 1.00 52.43 ATOM 1538 HA ALA 98 13.031 -37.195 25.153 1.00 1.12 ATOM 1539 CB ALA 98 13.315 -38.896 26.394 1.00 72.11 ATOM 1540 HB1 ALA 98 13.773 -38.324 27.190 1.00 2.23 ATOM 1541 HB2 ALA 98 13.780 -39.870 26.340 1.00 12.21 ATOM 1542 HB3 ALA 98 12.260 -39.013 26.596 1.00 41.10 ATOM 1543 C ALA 98 14.998 -37.965 24.785 1.00 2.24 ATOM 1544 O ALA 98 15.544 -36.879 24.998 1.00 62.52 ATOM 1545 N ASN 99 15.656 -39.018 24.304 1.00 14.40 ATOM 1546 HN ASN 99 15.161 -39.845 24.127 1.00 37.80 ATOM 1547 CA ASN 99 17.100 -38.984 24.050 1.00 5.15 ATOM 1548 HA ASN 99 17.584 -38.719 24.980 1.00 33.13 ATOM 1549 CB ASN 99 17.599 -40.367 23.620 1.00 33.34 ATOM 1550 HB1 ASN 99 18.666 -40.320 23.454 1.00 37.80 ATOM 1551 HB2 ASN 99 17.109 -40.649 22.700 1.00 14.13 ATOM 1552 CG ASN 99 17.318 -41.440 24.659 1.00 41.53 ATOM 1553 OD1 ASN 99 16.292 -41.425 25.335 1.00 21.32 ATOM 1554 ND2 ASN 99 18.240 -42.367 24.814 1.00 3.41 ATOM 1555 HD21 ASN 99 19.048 -42.313 24.260 1.00 3.23 ATOM 1556 HD22 ASN 99 18.084 -43.064 25.482 1.00 53.22 ATOM 1557 C ASN 99 17.483 -37.933 22.990 1.00 45.22 ATOM 1558 O ASN 99 18.506 -37.259 23.122 1.00 12.00 ATOM 1559 N ASP 100 16.660 -37.795 21.948 1.00 61.23 ATOM 1560 HN ASP 100 15.875 -38.378 21.881 1.00 37.80 ATOM 1561 CA ASP 100 16.903 -36.799 20.895 1.00 61.04 ATOM 1562 HA ASP 100 17.853 -37.040 20.434 1.00 1.31 ATOM 1563 CB ASP 100 15.811 -36.875 19.826 1.00 65.31 ATOM 1564 HB1 ASP 100 15.848 -35.985 19.212 1.00 37.80 ATOM 1565 HB2 ASP 100 14.845 -36.936 20.308 1.00 31.35 ATOM 1566 CG ASP 100 15.985 -38.083 18.932 1.00 52.14 ATOM 1567 OD1 ASP 100 16.821 -38.022 18.018 1.00 71.52 ATOM 1568 OD2 ASP 100 15.292 -39.094 19.137 1.00 14.03 ATOM 1569 C ASP 100 16.988 -35.375 21.463 1.00 61.22 ATOM 1570 O ASP 100 17.908 -34.624 21.139 1.00 22.53 ATOM 1571 N LEU 101 16.033 -35.015 22.315 1.00 12.21 ATOM 1572 HN LEU 101 15.321 -35.656 22.530 1.00 37.80 ATOM 1573 CA LEU 101 16.021 -33.690 22.945 1.00 42.12 ATOM 1574 HA LEU 101 16.142 -32.952 22.164 1.00 2.44 ATOM 1575 CB LEU 101 14.678 -33.449 23.653 1.00 20.23 ATOM 1576 HB1 LEU 101 14.495 -34.278 24.321 1.00 37.80 ATOM 1577 HB2 LEU 101 13.899 -33.439 22.902 1.00 31.34 ATOM 1578 CG LEU 101 14.583 -32.146 24.465 1.00 32.12 ATOM 1579 HG LEU 101 15.337 -32.159 25.240 1.00 63.42 ATOM 1580 CD1 LEU 101 14.847 -30.929 23.582 1.00 43.54 ATOM 1581 HD11 LEU 101 14.119 -30.893 22.785 1.00 25.25 ATOM 1582 HD12 LEU 101 15.839 -31.000 23.159 1.00 14.13 ATOM 1583 HD13 LEU 101 14.775 -30.029 24.175 1.00 42.11 ATOM 1584 CD2 LEU 101 13.221 -32.036 25.143 1.00 71.52 ATOM 1585 HD21 LEU 101 13.185 -31.134 25.737 1.00 70.42 ATOM 1586 HD22 LEU 101 13.065 -32.893 25.783 1.00 4.23 ATOM 1587 HD23 LEU 101 12.443 -32.002 24.393 1.00 2.42 ATOM 1588 C LEU 101 17.177 -33.542 23.947 1.00 1.35 ATOM 1589 O LEU 101 17.900 -32.546 23.938 1.00 62.41 ATOM 1590 N TYR 102 17.350 -34.553 24.794 1.00 73.32 ATOM 1591 HN TYR 102 16.766 -35.339 24.719 1.00 37.80 ATOM 1592 CA TYR 102 18.376 -34.528 25.839 1.00 71.34 ATOM 1593 HA TYR 102 18.176 -33.673 26.472 1.00 40.10 ATOM 1594 CB TYR 102 18.283 -35.803 26.688 1.00 43.22 ATOM 1595 HB1 TYR 102 18.526 -36.657 26.070 1.00 37.80 ATOM 1596 HB2 TYR 102 17.271 -35.911 27.054 1.00 40.41 ATOM 1597 CG TYR 102 19.214 -35.808 27.884 1.00 34.32 ATOM 1598 CD1 TYR 102 18.952 -35.007 28.988 1.00 2.21 ATOM 1599 HD1 TYR 102 18.073 -34.377 28.982 1.00 20.25 ATOM 1600 CD2 TYR 102 20.351 -36.609 27.910 1.00 5.41 ATOM 1601 HD2 TYR 102 20.570 -37.239 27.060 1.00 25.12 ATOM 1602 CE1 TYR 102 19.796 -34.998 30.080 1.00 14.10 ATOM 1603 HE1 TYR 102 19.574 -34.366 30.927 1.00 3.42 ATOM 1604 CE2 TYR 102 21.199 -36.607 29.000 1.00 32.22 ATOM 1605 HE2 TYR 102 22.078 -37.235 29.002 1.00 31.50 ATOM 1606 CZ TYR 102 20.917 -35.800 30.082 1.00 12.44 ATOM 1607 OH TYR 102 21.764 -35.789 31.169 1.00 24.22 ATOM 1608 HH TYR 102 22.678 -35.745 30.862 1.00 13.24 ATOM 1609 C TYR 102 19.793 -34.382 25.250 1.00 24.02 ATOM 1610 O TYR 102 20.571 -33.530 25.679 1.00 24.42 ATOM 1611 N GLN 103 20.118 -35.215 24.265 1.00 21.22 ATOM 1612 HN GLN 103 19.449 -35.858 23.946 1.00 37.80 ATOM 1613 CA GLN 103 21.451 -35.202 23.645 1.00 1.15 ATOM 1614 HA GLN 103 22.165 -34.925 24.408 1.00 3.34 ATOM 1615 CB GLN 103 21.805 -36.607 23.134 1.00 4.21 ATOM 1616 HB1 GLN 103 22.714 -36.548 22.550 1.00 37.80 ATOM 1617 HB2 GLN 103 21.004 -36.958 22.497 1.00 61.21 ATOM 1618 CG GLN 103 22.017 -37.635 24.247 1.00 15.22 ATOM 1619 HG1 GLN 103 22.167 -38.608 23.800 1.00 37.80 ATOM 1620 HG2 GLN 103 21.131 -37.661 24.868 1.00 64.43 ATOM 1621 CD GLN 103 23.217 -37.312 25.127 1.00 61.12 ATOM 1622 OE1 GLN 103 24.194 -36.722 24.676 1.00 4.41 ATOM 1623 NE2 GLN 103 23.166 -37.710 26.381 1.00 33.20 ATOM 1624 HE21 GLN 103 22.369 -38.190 26.682 1.00 33.30 ATOM 1625 HE22 GLN 103 23.926 -37.501 26.964 1.00 31.45 ATOM 1626 C GLN 103 21.553 -34.184 22.496 1.00 54.22 ATOM 1627 O GLN 103 22.655 -33.795 22.101 1.00 23.02 ATOM 1628 N GLY 104 20.412 -33.752 21.967 1.00 71.31 ATOM 1629 HN GLY 104 19.561 -34.063 22.343 1.00 37.80 ATOM 1630 CA GLY 104 20.406 -32.813 20.845 1.00 20.52 ATOM 1631 HA1 GLY 104 21.177 -32.071 21.005 1.00 37.80 ATOM 1632 HA2 GLY 104 19.448 -32.317 20.817 1.00 72.32 ATOM 1633 C GLY 104 20.645 -33.491 19.495 1.00 73.51 ATOM 1634 O GLY 104 21.320 -32.941 18.625 1.00 15.00 ATOM 1635 N GLN 105 20.075 -34.682 19.319 1.00 75.11 ATOM 1636 HN GLN 105 19.505 -35.040 20.032 1.00 37.80 ATOM 1637 CA GLN 105 20.261 -35.470 18.093 1.00 5.22 ATOM 1638 HA GLN 105 21.279 -35.322 17.759 1.00 63.41 ATOM 1639 CB GLN 105 20.055 -36.964 18.396 1.00 33.25 ATOM 1640 HB1 GLN 105 20.196 -37.530 17.486 1.00 37.80 ATOM 1641 HB2 GLN 105 19.044 -37.112 18.749 1.00 63.43 ATOM 1642 CG GLN 105 21.016 -37.505 19.451 1.00 62.44 ATOM 1643 HG1 GLN 105 20.941 -36.886 20.334 1.00 37.80 ATOM 1644 HG2 GLN 105 22.023 -37.447 19.062 1.00 54.44 ATOM 1645 CD GLN 105 20.732 -38.947 19.845 1.00 3.24 ATOM 1646 OE1 GLN 105 19.595 -39.406 19.820 1.00 44.20 ATOM 1647 NE2 GLN 105 21.770 -39.671 20.210 1.00 21.04 ATOM 1648 HE21 GLN 105 22.653 -39.250 20.202 1.00 15.21 ATOM 1649 HE22 GLN 105 21.612 -40.597 20.483 1.00 73.02 ATOM 1650 C GLN 105 19.309 -35.003 16.977 1.00 30.21 ATOM 1651 O GLN 105 19.698 -34.220 16.104 1.00 4.52 ATOM 1652 N ASN 106 18.062 -35.478 17.005 1.00 22.45 ATOM 1653 HN ASN 106 17.824 -36.162 17.671 1.00 37.80 ATOM 1654 CA ASN 106 17.041 -35.025 16.053 1.00 73.24 ATOM 1655 HA ASN 106 17.544 -34.511 15.244 1.00 71.02 ATOM 1656 CB ASN 106 16.273 -36.216 15.477 1.00 55.44 ATOM 1657 HB1 ASN 106 15.490 -35.853 14.824 1.00 37.80 ATOM 1658 HB2 ASN 106 15.828 -36.774 16.292 1.00 21.25 ATOM 1659 CG ASN 106 17.163 -37.153 14.683 1.00 31.31 ATOM 1660 OD1 ASN 106 17.380 -36.958 13.495 1.00 30.44 ATOM 1661 ND2 ASN 106 17.679 -38.177 15.325 1.00 21.54 ATOM 1662 HD21 ASN 106 17.465 -38.286 16.276 1.00 43.22 ATOM 1663 HD22 ASN 106 18.260 -38.785 14.827 1.00 55.05 ATOM 1664 C ASN 106 16.061 -34.048 16.716 1.00 44.00 ATOM 1665 O ASN 106 15.063 -34.458 17.315 1.00 0.21 ATOM 1666 N PHE 107 16.348 -32.753 16.610 1.00 3.23 ATOM 1667 HN PHE 107 17.146 -32.480 16.107 1.00 37.80 ATOM 1668 CA PHE 107 15.496 -31.728 17.218 1.00 34.22 ATOM 1669 HA PHE 107 15.214 -32.079 18.202 1.00 42.04 ATOM 1670 CB PHE 107 16.267 -30.406 17.370 1.00 11.21 ATOM 1671 HB1 PHE 107 16.530 -30.036 16.389 1.00 37.80 ATOM 1672 HB2 PHE 107 17.174 -30.589 17.932 1.00 55.20 ATOM 1673 CG PHE 107 15.488 -29.326 18.087 1.00 61.45 ATOM 1674 CD1 PHE 107 15.298 -29.386 19.462 1.00 64.02 ATOM 1675 HD1 PHE 107 15.715 -30.212 20.021 1.00 45.14 ATOM 1676 CD2 PHE 107 14.944 -28.254 17.387 1.00 3.15 ATOM 1677 HD2 PHE 107 15.082 -28.193 16.318 1.00 12.41 ATOM 1678 CE1 PHE 107 14.586 -28.402 20.121 1.00 15.24 ATOM 1679 HE1 PHE 107 14.445 -28.461 21.190 1.00 75.42 ATOM 1680 CE2 PHE 107 14.232 -27.269 18.045 1.00 14.23 ATOM 1681 HE2 PHE 107 13.815 -26.442 17.489 1.00 5.43 ATOM 1682 CZ PHE 107 14.052 -27.344 19.412 1.00 0.14 ATOM 1683 HZ PHE 107 13.495 -26.575 19.927 1.00 60.53 ATOM 1684 C PHE 107 14.217 -31.510 16.394 1.00 43.02 ATOM 1685 O PHE 107 13.191 -31.092 16.927 1.00 70.43 ATOM 1686 N ASN 108 14.288 -31.803 15.094 1.00 62.24 ATOM 1687 HN ASN 108 15.146 -32.104 14.724 1.00 37.80 ATOM 1688 CA ASN 108 13.130 -31.675 14.196 1.00 31.10 ATOM 1689 HA ASN 108 12.883 -30.623 14.144 1.00 24.21 ATOM 1690 CB ASN 108 13.496 -32.154 12.779 1.00 12.02 ATOM 1691 HB1 ASN 108 14.103 -31.397 12.301 1.00 37.80 ATOM 1692 HB2 ASN 108 12.591 -32.292 12.205 1.00 60.34 ATOM 1693 CG ASN 108 14.269 -33.464 12.766 1.00 34.52 ATOM 1694 OD1 ASN 108 14.141 -34.296 13.658 1.00 25.23 ATOM 1695 ND2 ASN 108 15.079 -33.659 11.744 1.00 73.13 ATOM 1696 HD21 ASN 108 15.137 -32.960 11.059 1.00 70.40 ATOM 1697 HD22 ASN 108 15.590 -34.494 11.713 1.00 73.21 ATOM 1698 C ASN 108 11.890 -32.428 14.723 1.00 33.53 ATOM 1699 O ASN 108 10.774 -31.903 14.685 1.00 5.21 ATOM 1700 N LYS 109 12.088 -33.654 15.217 1.00 72.11 ATOM 1701 HN LYS 109 12.987 -34.045 15.175 1.00 37.80 ATOM 1702 CA LYS 109 10.991 -34.434 15.808 1.00 64.04 ATOM 1703 HA LYS 109 10.208 -34.521 15.065 1.00 14.33 ATOM 1704 CB LYS 109 11.470 -35.844 16.196 1.00 11.44 ATOM 1705 HB1 LYS 109 10.643 -36.382 16.639 1.00 37.80 ATOM 1706 HB2 LYS 109 12.258 -35.751 16.931 1.00 30.12 ATOM 1707 CG LYS 109 12.003 -36.669 15.026 1.00 61.10 ATOM 1708 HG1 LYS 109 12.905 -36.203 14.651 1.00 37.80 ATOM 1709 HG2 LYS 109 11.258 -36.689 14.242 1.00 32.15 ATOM 1710 CD LYS 109 12.323 -38.107 15.438 1.00 22.12 ATOM 1711 HD1 LYS 109 12.703 -38.641 14.578 1.00 37.80 ATOM 1712 HD2 LYS 109 11.415 -38.582 15.783 1.00 10.51 ATOM 1713 CE LYS 109 13.362 -38.165 16.554 1.00 31.23 ATOM 1714 HE1 LYS 109 12.975 -37.645 17.419 1.00 37.80 ATOM 1715 HE2 LYS 109 14.264 -37.676 16.217 1.00 24.33 ATOM 1716 NZ LYS 109 13.690 -39.562 16.940 1.00 61.22 ATOM 1717 HZ1 LYS 109 12.836 -40.049 17.287 1.00 0.25 ATOM 1718 HZ2 LYS 109 14.403 -39.566 17.697 1.00 1.30 ATOM 1719 HZ3 LYS 109 14.065 -40.085 16.124 1.00 23.24 ATOM 1720 C LYS 109 10.421 -33.727 17.047 1.00 63.55 ATOM 1721 O LYS 109 9.204 -33.626 17.221 1.00 71.13 ATOM 1722 N VAL 110 11.318 -33.237 17.904 1.00 55.11 ATOM 1723 HN VAL 110 12.271 -33.362 17.712 1.00 37.80 ATOM 1724 CA VAL 110 10.926 -32.510 19.115 1.00 12.31 ATOM 1725 HA VAL 110 10.340 -33.175 19.731 1.00 44.43 ATOM 1726 CB VAL 110 12.170 -32.058 19.925 1.00 73.21 ATOM 1727 HB VAL 110 12.711 -31.332 19.331 1.00 51.21 ATOM 1728 CG1 VAL 110 11.758 -31.377 21.232 1.00 50.43 ATOM 1729 HG11 VAL 110 11.135 -30.520 21.014 1.00 34.14 ATOM 1730 HG12 VAL 110 12.640 -31.050 21.762 1.00 73.02 ATOM 1731 HG13 VAL 110 11.207 -32.074 21.847 1.00 54.25 ATOM 1732 CG2 VAL 110 13.103 -33.239 20.189 1.00 32.33 ATOM 1733 HG21 VAL 110 12.580 -33.990 20.763 1.00 51.03 ATOM 1734 HG22 VAL 110 13.968 -32.902 20.742 1.00 1.21 ATOM 1735 HG23 VAL 110 13.423 -33.665 19.248 1.00 12.30 ATOM 1736 C VAL 110 10.083 -31.276 18.770 1.00 41.33 ATOM 1737 O VAL 110 8.977 -31.093 19.284 1.00 35.10 ATOM 1738 N LEU 111 10.615 -30.446 17.881 1.00 73.24 ATOM 1739 HN LEU 111 11.484 -30.670 17.491 1.00 37.80 ATOM 1740 CA LEU 111 9.957 -29.210 17.465 1.00 43.33 ATOM 1741 HA LEU 111 9.831 -28.594 18.343 1.00 55.02 ATOM 1742 CB LEU 111 10.849 -28.464 16.464 1.00 34.30 ATOM 1743 HB1 LEU 111 10.932 -29.068 15.571 1.00 37.80 ATOM 1744 HB2 LEU 111 11.833 -28.363 16.900 1.00 23.52 ATOM 1745 CG LEU 111 10.359 -27.067 16.054 1.00 40.45 ATOM 1746 HG LEU 111 9.380 -27.155 15.602 1.00 70.20 ATOM 1747 CD1 LEU 111 10.227 -26.162 17.278 1.00 54.22 ATOM 1748 HD11 LEU 111 9.518 -26.592 17.971 1.00 72.52 ATOM 1749 HD12 LEU 111 9.880 -25.186 16.970 1.00 75.55 ATOM 1750 HD13 LEU 111 11.188 -26.065 17.763 1.00 4.41 ATOM 1751 CD2 LEU 111 11.302 -26.451 15.021 1.00 51.41 ATOM 1752 HD21 LEU 111 11.334 -27.079 14.142 1.00 73.24 ATOM 1753 HD22 LEU 111 12.295 -26.369 15.441 1.00 60.00 ATOM 1754 HD23 LEU 111 10.946 -25.468 14.747 1.00 74.01 ATOM 1755 C LEU 111 8.571 -29.479 16.849 1.00 65.04 ATOM 1756 O LEU 111 7.607 -28.780 17.153 1.00 53.30 ATOM 1757 N SER 112 8.477 -30.500 15.992 1.00 11.23 ATOM 1758 HN SER 112 9.284 -31.018 15.777 1.00 37.80 ATOM 1759 CA SER 112 7.197 -30.867 15.361 1.00 0.25 ATOM 1760 HA SER 112 6.865 -30.021 14.776 1.00 25.44 ATOM 1761 CB SER 112 7.373 -32.074 14.431 1.00 53.02 ATOM 1762 HB1 SER 112 7.693 -32.929 15.010 1.00 37.80 ATOM 1763 HB2 SER 112 8.123 -31.847 13.687 1.00 30.32 ATOM 1764 OG SER 112 6.157 -32.402 13.766 1.00 60.23 ATOM 1765 HG SER 112 5.558 -32.852 14.384 1.00 72.13 ATOM 1766 C SER 112 6.129 -31.187 16.413 1.00 61.23 ATOM 1767 O SER 112 4.993 -30.715 16.327 1.00 2.14 ATOM 1768 N SER 113 6.506 -31.986 17.412 1.00 52.10 ATOM 1769 HN SER 113 7.419 -32.350 17.413 1.00 37.80 ATOM 1770 CA SER 113 5.593 -32.339 18.508 1.00 52.23 ATOM 1771 HA SER 113 4.718 -32.799 18.070 1.00 72.41 ATOM 1772 CB SER 113 6.254 -33.340 19.465 1.00 72.52 ATOM 1773 HB1 SER 113 7.159 -32.907 19.868 1.00 37.80 ATOM 1774 HB2 SER 113 6.500 -34.242 18.922 1.00 33.50 ATOM 1775 OG SER 113 5.392 -33.681 20.545 1.00 41.25 ATOM 1776 HG SER 113 4.559 -33.205 20.455 1.00 40.25 ATOM 1777 C SER 113 5.155 -31.095 19.291 1.00 55.42 ATOM 1778 O SER 113 3.997 -30.984 19.696 1.00 14.41 ATOM 1779 N LEU 114 6.088 -30.165 19.504 1.00 23.15 ATOM 1780 HN LEU 114 7.004 -30.329 19.189 1.00 37.80 ATOM 1781 CA LEU 114 5.786 -28.907 20.200 1.00 62.42 ATOM 1782 HA LEU 114 5.323 -29.158 21.146 1.00 3.23 ATOM 1783 CB LEU 114 7.079 -28.123 20.475 1.00 53.15 ATOM 1784 HB1 LEU 114 6.815 -27.176 20.926 1.00 37.80 ATOM 1785 HB2 LEU 114 7.563 -27.926 19.527 1.00 71.24 ATOM 1786 CG LEU 114 8.090 -28.829 21.397 1.00 61.33 ATOM 1787 HG LEU 114 8.363 -29.778 20.955 1.00 11.14 ATOM 1788 CD1 LEU 114 9.367 -28.001 21.542 1.00 23.53 ATOM 1789 HD11 LEU 114 9.819 -27.860 20.570 1.00 72.15 ATOM 1790 HD12 LEU 114 10.062 -28.519 22.187 1.00 63.40 ATOM 1791 HD13 LEU 114 9.129 -27.038 21.971 1.00 22.41 ATOM 1792 CD2 LEU 114 7.470 -29.110 22.768 1.00 14.02 ATOM 1793 HD21 LEU 114 7.172 -28.179 23.229 1.00 44.20 ATOM 1794 HD22 LEU 114 8.194 -29.606 23.396 1.00 63.21 ATOM 1795 HD23 LEU 114 6.604 -29.745 22.650 1.00 62.41 ATOM 1796 C LEU 114 4.806 -28.044 19.389 1.00 73.24 ATOM 1797 O LEU 114 3.842 -27.499 19.933 1.00 42.05 ATOM 1798 N VAL 115 5.052 -27.935 18.084 1.00 70.35 ATOM 1799 HN VAL 115 5.847 -28.372 17.711 1.00 37.80 ATOM 1800 CA VAL 115 4.165 -27.182 17.191 1.00 74.23 ATOM 1801 HA VAL 115 4.117 -26.164 17.557 1.00 54.52 ATOM 1802 CB VAL 115 4.707 -27.151 15.737 1.00 24.31 ATOM 1803 HB VAL 115 4.807 -28.172 15.392 1.00 31.01 ATOM 1804 CG1 VAL 115 3.733 -26.430 14.804 1.00 64.01 ATOM 1805 HG11 VAL 115 4.136 -26.417 13.801 1.00 34.45 ATOM 1806 HG12 VAL 115 3.587 -25.415 15.146 1.00 14.10 ATOM 1807 HG13 VAL 115 2.784 -26.949 14.802 1.00 2.25 ATOM 1808 CG2 VAL 115 6.088 -26.495 15.685 1.00 14.21 ATOM 1809 HG21 VAL 115 6.449 -26.489 14.665 1.00 33.44 ATOM 1810 HG22 VAL 115 6.776 -27.052 16.304 1.00 63.35 ATOM 1811 HG23 VAL 115 6.021 -25.478 16.048 1.00 44.13 ATOM 1812 C VAL 115 2.746 -27.774 17.199 1.00 35.23 ATOM 1813 O VAL 115 1.763 -27.050 17.363 1.00 22.55 ATOM 1814 N THR 116 2.645 -29.093 17.032 1.00 75.31 ATOM 1815 HN THR 116 3.457 -29.619 16.852 1.00 37.80 ATOM 1816 CA THR 116 1.345 -29.778 17.105 1.00 11.51 ATOM 1817 HA THR 116 0.707 -29.356 16.340 1.00 40.30 ATOM 1818 CB THR 116 1.467 -31.298 16.848 1.00 63.13 ATOM 1819 HB THR 116 2.168 -31.712 17.561 1.00 5.10 ATOM 1820 OG1 THR 116 1.958 -31.539 15.520 1.00 13.32 ATOM 1821 HG1 THR 116 2.431 -32.388 15.509 1.00 52.40 ATOM 1822 CG2 THR 116 0.120 -31.998 17.027 1.00 23.13 ATOM 1823 HG21 THR 116 -0.227 -31.865 18.043 1.00 55.13 ATOM 1824 HG22 THR 116 0.231 -33.053 16.823 1.00 21.22 ATOM 1825 HG23 THR 116 -0.601 -31.575 16.344 1.00 62.41 ATOM 1826 C THR 116 0.683 -29.570 18.470 1.00 22.15 ATOM 1827 O THR 116 -0.521 -29.333 18.552 1.00 23.13 ATOM 1828 N LEU 117 1.476 -29.666 19.538 1.00 50.55 ATOM 1829 HN LEU 117 2.422 -29.899 19.410 1.00 37.80 ATOM 1830 CA LEU 117 0.980 -29.434 20.898 1.00 43.42 ATOM 1831 HA LEU 117 0.245 -30.198 21.115 1.00 13.34 ATOM 1832 CB LEU 117 2.133 -29.550 21.905 1.00 41.42 ATOM 1833 HB1 LEU 117 2.875 -28.803 21.656 1.00 37.80 ATOM 1834 HB2 LEU 117 2.583 -30.527 21.790 1.00 35.53 ATOM 1835 CG LEU 117 1.747 -29.369 23.383 1.00 45.22 ATOM 1836 HG LEU 117 1.269 -28.407 23.504 1.00 53.32 ATOM 1837 CD1 LEU 117 0.751 -30.440 23.821 1.00 4.21 ATOM 1838 HD11 LEU 117 0.519 -30.312 24.868 1.00 72.32 ATOM 1839 HD12 LEU 117 1.179 -31.419 23.663 1.00 22.40 ATOM 1840 HD13 LEU 117 -0.155 -30.346 23.239 1.00 23.34 ATOM 1841 CD2 LEU 117 2.988 -29.389 24.271 1.00 64.23 ATOM 1842 HD21 LEU 117 2.699 -29.222 25.299 1.00 10.43 ATOM 1843 HD22 LEU 117 3.668 -28.610 23.960 1.00 15.33 ATOM 1844 HD23 LEU 117 3.479 -30.348 24.187 1.00 21.23 ATOM 1845 C LEU 117 0.311 -28.053 21.007 1.00 33.32 ATOM 1846 O LEU 117 -0.742 -27.906 21.630 1.00 5.34 ATOM 1847 N ASN 118 0.935 -27.047 20.391 1.00 74.01 ATOM 1848 HN ASN 118 1.811 -27.216 19.981 1.00 37.80 ATOM 1849 CA ASN 118 0.360 -25.699 20.310 1.00 25.01 ATOM 1850 HA ASN 118 0.144 -25.369 21.317 1.00 13.44 ATOM 1851 CB ASN 118 1.373 -24.732 19.674 1.00 32.54 ATOM 1852 HB1 ASN 118 1.680 -25.122 18.713 1.00 37.80 ATOM 1853 HB2 ASN 118 2.239 -24.654 20.318 1.00 44.52 ATOM 1854 CG ASN 118 0.804 -23.337 19.466 1.00 11.42 ATOM 1855 OD1 ASN 118 0.240 -23.028 18.419 1.00 14.44 ATOM 1856 ND2 ASN 118 0.938 -22.485 20.461 1.00 41.13 ATOM 1857 HD21 ASN 118 1.392 -22.787 21.274 1.00 72.44 ATOM 1858 HD22 ASN 118 0.576 -21.582 20.344 1.00 71.34 ATOM 1859 C ASN 118 -0.947 -25.704 19.498 1.00 10.40 ATOM 1860 O ASN 118 -1.948 -25.128 19.913 1.00 2.03 ATOM 1861 N LYS 119 -0.923 -26.365 18.342 1.00 33.32 ATOM 1862 HN LYS 119 -0.097 -26.827 18.080 1.00 37.80 ATOM 1863 CA LYS 119 -2.086 -26.421 17.445 1.00 72.30 ATOM 1864 HA LYS 119 -2.336 -25.407 17.170 1.00 51.31 ATOM 1865 CB LYS 119 -1.729 -27.199 16.172 1.00 43.22 ATOM 1866 HB1 LYS 119 -2.607 -27.260 15.544 1.00 37.80 ATOM 1867 HB2 LYS 119 -1.425 -28.200 16.448 1.00 22.43 ATOM 1868 CG LYS 119 -0.605 -26.563 15.361 1.00 52.33 ATOM 1869 HG1 LYS 119 0.253 -26.422 16.004 1.00 37.80 ATOM 1870 HG2 LYS 119 -0.938 -25.602 14.994 1.00 42.14 ATOM 1871 CD LYS 119 -0.196 -27.432 14.175 1.00 5.10 ATOM 1872 HD1 LYS 119 0.127 -28.397 14.544 1.00 37.80 ATOM 1873 HD2 LYS 119 0.623 -26.954 13.657 1.00 50.51 ATOM 1874 CE LYS 119 -1.345 -27.637 13.192 1.00 32.11 ATOM 1875 HE1 LYS 119 -1.664 -26.672 12.823 1.00 37.80 ATOM 1876 HE2 LYS 119 -2.166 -28.112 13.708 1.00 62.42 ATOM 1877 NZ LYS 119 -0.949 -28.488 12.039 1.00 72.03 ATOM 1878 HZ1 LYS 119 -0.618 -29.414 12.375 1.00 2.11 ATOM 1879 HZ2 LYS 119 -0.183 -28.032 11.501 1.00 62.11 ATOM 1880 HZ3 LYS 119 -1.763 -28.631 11.403 1.00 73.04 ATOM 1881 C LYS 119 -3.314 -27.063 18.115 1.00 5.22 ATOM 1882 O LYS 119 -4.391 -26.461 18.170 1.00 44.21 ATOM 1883 N VAL 120 -3.147 -28.284 18.618 1.00 2.21 ATOM 1884 HN VAL 120 -2.261 -28.701 18.568 1.00 37.80 ATOM 1885 CA VAL 120 -4.252 -29.027 19.237 1.00 1.14 ATOM 1886 HA VAL 120 -5.025 -29.133 18.487 1.00 74.14 ATOM 1887 CB VAL 120 -3.812 -30.454 19.666 1.00 10.45 ATOM 1888 HB VAL 120 -4.655 -30.939 20.139 1.00 22.42 ATOM 1889 CG1 VAL 120 -3.415 -31.286 18.446 1.00 23.41 ATOM 1890 HG11 VAL 120 -2.582 -30.816 17.941 1.00 44.24 ATOM 1891 HG12 VAL 120 -4.253 -31.355 17.767 1.00 2.42 ATOM 1892 HG13 VAL 120 -3.129 -32.277 18.765 1.00 1.54 ATOM 1893 CG2 VAL 120 -2.665 -30.400 20.677 1.00 53.00 ATOM 1894 HG21 VAL 120 -2.980 -29.852 21.553 1.00 2.15 ATOM 1895 HG22 VAL 120 -1.812 -29.907 20.232 1.00 11.52 ATOM 1896 HG23 VAL 120 -2.387 -31.406 20.964 1.00 32.11 ATOM 1897 C VAL 120 -4.853 -28.281 20.443 1.00 23.22 ATOM 1898 O VAL 120 -6.072 -28.236 20.610 1.00 61.42 ATOM 1899 N THR 121 -4.002 -27.680 21.270 1.00 35.45 ATOM 1900 HN THR 121 -3.038 -27.747 21.100 1.00 37.80 ATOM 1901 CA THR 121 -4.475 -26.915 22.432 1.00 25.35 ATOM 1902 HA THR 121 -5.257 -27.493 22.907 1.00 2.44 ATOM 1903 CB THR 121 -3.351 -26.689 23.466 1.00 54.13 ATOM 1904 HB THR 121 -3.738 -26.073 24.268 1.00 52.01 ATOM 1905 OG1 THR 121 -2.245 -26.012 22.851 1.00 41.13 ATOM 1906 HG1 THR 121 -1.500 -26.616 22.770 1.00 12.30 ATOM 1907 CG2 THR 121 -2.886 -28.019 24.057 1.00 11.42 ATOM 1908 HG21 THR 121 -3.725 -28.524 24.517 1.00 22.04 ATOM 1909 HG22 THR 121 -2.128 -27.837 24.804 1.00 44.11 ATOM 1910 HG23 THR 121 -2.477 -28.642 23.274 1.00 4.41 ATOM 1911 C THR 121 -5.060 -25.561 22.008 1.00 75.43 ATOM 1912 O THR 121 -5.976 -25.043 22.649 1.00 22.42 ATOM 1913 N ALA 122 -4.529 -24.994 20.923 1.00 33.32 ATOM 1914 HN ALA 122 -3.723 -25.388 20.527 1.00 37.80 ATOM 1915 CA ALA 122 -5.105 -23.786 20.320 1.00 1.24 ATOM 1916 HA ALA 122 -5.103 -23.008 21.071 1.00 42.13 ATOM 1917 CB ALA 122 -4.260 -23.314 19.139 1.00 41.25 ATOM 1918 HB1 ALA 122 -3.245 -23.150 19.467 1.00 51.22 ATOM 1919 HB2 ALA 122 -4.665 -22.391 18.750 1.00 72.32 ATOM 1920 HB3 ALA 122 -4.268 -24.067 18.363 1.00 11.14 ATOM 1921 C ALA 122 -6.547 -24.047 19.880 1.00 54.13 ATOM 1922 O ALA 122 -7.423 -23.189 20.027 1.00 11.41 ATOM 1923 N ASP 123 -6.780 -25.246 19.346 1.00 63.43 ATOM 1924 HN ASP 123 -6.018 -25.839 19.166 1.00 37.80 ATOM 1925 CA ASP 123 -8.127 -25.708 19.006 1.00 54.14 ATOM 1926 HA ASP 123 -8.576 -24.975 18.350 1.00 10.15 ATOM 1927 CB ASP 123 -8.035 -27.054 18.271 1.00 23.41 ATOM 1928 HB1 ASP 123 -7.564 -27.779 18.921 1.00 37.80 ATOM 1929 HB2 ASP 123 -7.426 -26.930 17.386 1.00 41.21 ATOM 1930 CG ASP 123 -9.391 -27.596 17.847 1.00 33.34 ATOM 1931 OD1 ASP 123 -10.034 -28.304 18.649 1.00 73.25 ATOM 1932 OD2 ASP 123 -9.814 -27.331 16.702 1.00 11.10 ATOM 1933 C ASP 123 -8.991 -25.839 20.276 1.00 51.22 ATOM 1934 O ASP 123 -10.153 -25.418 20.299 1.00 74.01 ATOM 1935 N ILE 124 -8.414 -26.421 21.330 1.00 31.11 ATOM 1936 HN ILE 124 -7.503 -26.774 21.234 1.00 37.80 ATOM 1937 CA ILE 124 -9.106 -26.570 22.619 1.00 4.31 ATOM 1938 HA ILE 124 -10.001 -27.153 22.448 1.00 40.32 ATOM 1939 CB ILE 124 -8.223 -27.335 23.644 1.00 1.43 ATOM 1940 HB ILE 124 -7.295 -26.789 23.758 1.00 22.23 ATOM 1941 CG1 ILE 124 -7.906 -28.753 23.133 1.00 0.44 ATOM 1942 HG11 ILE 124 -7.440 -28.683 22.161 1.00 37.80 ATOM 1943 HG12 ILE 124 -8.826 -29.312 23.045 1.00 55.55 ATOM 1944 CG2 ILE 124 -8.903 -27.396 25.014 1.00 10.00 ATOM 1945 HG21 ILE 124 -8.282 -27.950 25.703 1.00 63.22 ATOM 1946 HG22 ILE 124 -9.861 -27.887 24.920 1.00 73.20 ATOM 1947 HG23 ILE 124 -9.049 -26.393 25.391 1.00 72.51 ATOM 1948 CD1 ILE 124 -6.978 -29.538 24.038 1.00 14.03 ATOM 1949 HD11 ILE 124 -7.429 -29.642 25.014 1.00 5.40 ATOM 1950 HD12 ILE 124 -6.037 -29.017 24.130 1.00 10.21 ATOM 1951 HD13 ILE 124 -6.807 -30.517 23.615 1.00 64.11 ATOM 1952 C ILE 124 -9.513 -25.206 23.212 1.00 72.40 ATOM 1953 O ILE 124 -10.599 -25.067 23.786 1.00 32.11 ATOM 1954 N GLY 125 -8.650 -24.200 23.061 1.00 52.42 ATOM 1955 HN GLY 125 -7.787 -24.370 22.629 1.00 37.80 ATOM 1956 CA GLY 125 -8.979 -22.859 23.536 1.00 71.41 ATOM 1957 HA1 GLY 125 -9.601 -22.948 24.417 1.00 37.80 ATOM 1958 HA2 GLY 125 -9.547 -22.356 22.768 1.00 41.11 ATOM 1959 C GLY 125 -7.763 -21.993 23.881 1.00 30.43 ATOM 1960 O GLY 125 -7.623 -21.546 25.020 1.00 72.20 ATOM 1961 N LEU 126 -6.885 -21.749 22.904 1.00 14.53 ATOM 1962 HN LEU 126 -6.996 -22.199 22.041 1.00 37.80 ATOM 1963 HA LEU 126 -5.840 -20.385 24.076 1.00 14.12 ATOM 1964 CB LEU 126 -4.399 -21.526 22.971 1.00 71.13 ATOM 1965 HB1 LEU 126 -3.621 -20.774 22.967 1.00 37.80 ATOM 1966 HB2 LEU 126 -4.369 -22.047 22.024 1.00 21.41 ATOM 1967 CG LEU 126 -4.076 -22.538 24.083 1.00 4.24 ATOM 1968 HG LEU 126 -4.781 -23.357 24.033 1.00 43.41 ATOM 1969 CD1 LEU 126 -2.680 -23.113 23.880 1.00 11.50 ATOM 1970 HD11 LEU 126 -2.466 -23.827 24.661 1.00 73.02 ATOM 1971 HD12 LEU 126 -1.951 -22.315 23.910 1.00 34.23 ATOM 1972 HD13 LEU 126 -2.632 -23.607 22.920 1.00 32.44 ATOM 1973 CD2 LEU 126 -4.195 -21.893 25.462 1.00 24.31 ATOM 1974 HD21 LEU 126 -3.517 -21.054 25.531 1.00 14.31 ATOM 1975 HD22 LEU 126 -3.947 -22.619 26.223 1.00 43.20 ATOM 1976 HD23 LEU 126 -5.209 -21.550 25.613 1.00 14.33 ATOM 1977 CA LEU 126 -5.757 -20.811 23.083 1.00 72.24 ATOM 1978 C LEU 126 -5.825 -19.662 22.060 1.00 43.04 ATOM 1979 OT1 LEU 126 -5.567 -19.903 20.860 1.00 37.80 ATOM 1980 OT2 LEU 126 -6.128 -18.517 22.461 1.00 37.80 ATOM 1981 OH2 TIP3 1 -8.771 -45.796 17.754 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.481 -45.213 17.400 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.403 -46.217 16.970 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -11.904 -41.255 18.007 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -12.407 -42.077 17.830 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -11.482 -41.419 18.881 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -8.819 -42.257 17.481 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -8.223 -42.591 16.795 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -8.814 -41.279 17.347 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.752 -39.564 17.198 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.596 -39.361 16.745 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.614 -38.800 17.794 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -10.681 -44.123 16.718 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -11.623 -44.054 16.988 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -10.265 -43.317 17.093 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -10.066 -46.118 20.175 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -10.024 -45.263 20.647 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.544 -45.969 19.357 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -10.189 -41.327 13.539 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -11.075 -40.961 13.707 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -9.629 -40.529 13.394 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -13.132 -43.750 17.927 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -13.035 -44.603 18.409 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -13.877 -43.299 18.389 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -9.029 -38.939 13.160 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -8.814 -38.515 12.307 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -9.230 -38.191 13.752 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.043 -43.631 14.536 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.692 -43.996 15.164 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -9.456 -42.800 14.222 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -6.233 -46.448 18.866 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -5.945 -45.520 18.756 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -7.175 -46.432 18.626 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -8.225 -47.675 21.582 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -8.370 -47.053 22.323 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.918 -47.438 20.939 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -11.336 -39.077 16.446 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -11.737 -39.216 15.563 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -11.599 -39.878 16.957 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -13.879 -39.689 19.289 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -13.092 -39.977 18.797 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -13.772 -38.715 19.364 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -12.349 -39.376 13.909 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -12.135 -38.421 13.783 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -13.183 -39.492 13.448 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.489 -38.328 21.047 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.929 -39.034 21.567 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.718 -37.505 21.524 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.294 -46.516 25.978 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.385 -46.315 26.306 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -8.581 -47.260 26.521 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -14.813 -42.253 19.449 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -14.583 -41.303 19.332 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -15.087 -42.316 20.365 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -10.823 -41.670 20.469 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -10.567 -42.521 20.882 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.185 -41.143 21.214 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -5.437 -43.867 19.088 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.685 -43.453 18.598 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -5.031 -44.198 19.917 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -8.943 -37.497 19.007 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.102 -37.472 19.503 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.607 -37.779 19.679 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -12.676 -46.061 19.312 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -11.761 -46.137 19.658 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -13.067 -46.918 19.492 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -9.148 -38.847 25.113 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -8.820 -39.105 26.004 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -8.448 -39.157 24.504 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -10.571 -42.424 24.267 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -11.069 -41.968 24.986 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.809 -42.831 24.730 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.447 -43.681 25.588 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -7.660 -43.645 25.009 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -8.561 -44.633 25.777 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -10.068 -43.913 21.997 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -9.534 -44.610 22.436 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -10.416 -43.378 22.744 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -8.505 -45.687 23.387 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -7.701 -45.128 23.443 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -8.575 -46.094 24.278 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.263 -42.690 18.028 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.400 -42.830 18.481 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.096 -41.958 17.427 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -4.667 -44.756 21.550 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -4.887 -45.713 21.545 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -3.683 -44.734 21.535 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.422 -47.414 23.164 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.427 -48.292 23.561 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.121 -47.462 22.468 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.482 -47.381 21.322 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.391 -47.661 21.576 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.552 -47.217 20.353 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.876 -37.350 11.210 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -7.529 -37.978 10.529 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.223 -37.399 11.937 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -13.322 -36.960 19.287 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -12.553 -36.750 18.722 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -13.599 -36.097 19.644 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.443 -40.250 22.804 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -11.851 -39.689 23.487 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -11.068 -41.005 23.308 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -6.966 -37.791 20.971 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -7.294 -37.145 21.640 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -6.053 -37.498 20.783 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -11.117 -36.542 17.638 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -11.315 -37.305 17.055 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -10.263 -36.783 18.059 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -7.002 -39.143 9.376 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -6.615 -39.057 8.503 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.186 -40.107 9.463 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -7.355 -39.520 35.161 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.062 -39.727 34.523 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.803 -38.974 35.850 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -5.192 -38.823 33.626 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -4.665 -38.197 34.177 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -5.977 -39.029 34.184 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -8.609 -41.039 33.120 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -7.762 -41.078 32.629 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -8.513 -41.723 33.807 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -7.670 -41.118 29.604 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -8.470 -40.779 30.066 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -7.011 -41.217 30.314 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.848 -44.755 38.079 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -4.135 -45.230 38.882 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.629 -44.798 37.480 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -5.812 -44.605 36.177 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.581 -44.018 36.061 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.258 -44.419 35.406 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -10.726 -39.158 28.375 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -10.645 -39.727 29.163 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -9.842 -39.204 27.956 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -9.805 -39.988 30.894 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -9.630 -40.323 31.799 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -9.871 -39.018 31.005 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -6.276 -44.151 23.757 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.542 -44.433 24.339 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -5.879 -44.154 22.863 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -3.612 -36.981 43.487 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -3.798 -37.539 42.711 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -3.645 -37.609 44.243 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.069 -42.332 35.095 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -6.205 -42.501 34.668 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.991 -41.421 35.438 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -8.084 -39.187 27.612 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -7.765 -38.300 27.913 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -7.734 -39.809 28.281 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -2.247 -40.633 41.310 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.873 -39.887 41.239 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.808 -40.663 40.428 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -6.706 -39.273 23.852 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -5.985 -39.713 24.346 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.573 -38.323 24.037 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -9.220 -35.545 37.978 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -8.264 -35.327 38.041 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -9.662 -34.739 38.282 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -6.026 -41.167 32.101 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -5.610 -40.332 32.392 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -5.525 -41.860 32.576 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.408 -36.606 28.089 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.624 -36.082 27.840 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -8.078 -36.367 27.413 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -5.333 -36.827 31.659 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -5.232 -37.584 32.262 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -6.275 -36.570 31.754 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -11.538 -41.021 26.379 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -11.622 -40.176 26.853 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -10.921 -41.544 26.939 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -9.519 -42.278 27.717 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -8.815 -42.034 28.343 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -9.054 -42.770 27.010 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -3.936 -45.183 24.853 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -3.702 -45.941 24.277 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.237 -44.516 24.664 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -9.116 -36.226 26.034 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -9.224 -37.107 25.625 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -10.013 -35.875 26.087 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -2.289 -38.907 37.335 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -1.712 -39.531 37.847 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.181 -39.049 37.714 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.816 -46.577 45.665 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.104 -47.427 46.023 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -2.536 -45.969 45.884 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.156 -44.098 33.317 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.436 -44.241 32.678 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -1.705 -43.734 34.105 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.102 -40.570 34.172 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.280 -40.113 34.426 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -3.713 -39.849 33.936 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.566 -42.831 33.939 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.036 -42.032 34.174 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.893 -43.470 33.619 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -3.441 -42.014 38.671 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.462 -42.929 38.322 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.491 -41.764 38.635 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.836 -45.743 26.808 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -5.113 -45.602 26.160 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -5.577 -45.213 27.568 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -3.680 -43.089 41.241 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -3.096 -42.452 41.687 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.713 -42.768 40.318 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -0.747 -39.051 35.073 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -0.501 -38.133 34.833 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -1.190 -38.962 35.942 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -8.763 -38.136 37.074 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -8.941 -37.193 37.280 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -9.117 -38.612 37.831 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -5.268 -37.086 37.512 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -4.856 -37.158 36.628 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -5.246 -38.006 37.860 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -10.008 -34.674 29.426 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -10.345 -34.276 28.594 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -9.067 -34.413 29.452 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -4.909 -35.973 40.009 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -4.882 -36.332 39.094 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -5.686 -35.393 40.007 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 0.625 -38.998 42.442 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 1.142 -39.791 42.187 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -0.003 -39.333 43.119 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -3.819 -38.293 41.006 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -4.339 -37.512 40.717 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.879 -37.976 40.981 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -0.340 -42.793 44.951 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -0.424 -43.063 44.007 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 0.041 -43.576 45.384 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.528 -45.615 40.742 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.069 -44.764 40.953 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -5.419 -45.489 41.084 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -12.269 -23.433 17.327 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -12.265 -24.369 17.013 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -12.259 -22.915 16.516 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -8.401 -19.149 17.685 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -7.622 -19.741 17.693 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -8.193 -18.478 18.365 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -15.901 -28.666 17.536 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -15.536 -29.073 18.336 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -16.470 -27.944 17.875 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -7.992 -33.333 13.266 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -7.685 -34.030 12.662 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -8.648 -32.829 12.731 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -10.456 -29.889 15.904 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -10.053 -30.433 16.614 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -10.260 -28.958 16.178 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -11.680 -27.580 20.646 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -11.313 -26.676 20.715 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -11.151 -27.991 19.918 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -4.513 -37.034 15.420 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.116 -37.441 16.197 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -4.018 -36.191 15.311 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -17.439 -20.091 23.292 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -17.961 -19.478 22.770 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -17.227 -20.818 22.667 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -9.146 -36.473 14.525 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -9.191 -35.693 15.108 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -8.194 -36.556 14.306 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -7.428 -22.461 16.724 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -6.914 -21.828 17.265 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.080 -22.818 17.334 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -4.556 -24.881 15.867 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -4.601 -25.105 16.809 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -4.990 -25.637 15.424 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -8.310 -27.043 14.442 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -8.652 -27.825 13.973 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -8.829 -27.022 15.282 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -4.868 -29.733 15.233 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -4.911 -28.761 15.130 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -5.716 -30.049 14.858 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -13.378 -28.701 11.911 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -12.452 -28.729 11.590 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -13.637 -29.639 11.976 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -12.088 -25.924 16.196 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -12.673 -26.626 15.899 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -11.233 -26.385 16.381 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -14.244 -26.967 21.209 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -13.344 -27.198 20.884 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -14.075 -26.483 22.043 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -9.304 -29.515 13.460 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -8.456 -29.966 13.682 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -9.869 -29.675 14.250 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -16.233 -25.072 20.891 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -15.975 -24.540 21.666 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -15.549 -25.770 20.846 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -9.933 -19.732 15.378 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -10.595 -20.052 16.011 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -9.206 -19.410 15.943 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -15.502 -19.666 25.148 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -15.115 -20.570 25.200 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -16.295 -19.780 24.573 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -9.861 -20.350 12.710 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -9.772 -20.172 13.674 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -10.698 -19.948 12.474 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -16.677 -22.021 21.505 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -16.084 -22.524 22.109 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -16.860 -22.642 20.786 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -10.616 -36.103 22.684 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -10.799 -35.165 22.517 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -9.636 -36.148 22.736 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -14.441 -29.379 19.945 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -13.665 -29.258 19.342 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -14.575 -28.489 20.345 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -14.490 -31.203 12.381 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -14.492 -31.174 13.352 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -15.408 -30.944 12.132 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -12.394 -32.536 11.297 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -13.109 -32.012 11.733 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -12.733 -32.703 10.411 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -12.590 -31.291 14.856 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.838 -30.780 15.218 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -13.375 -30.729 15.043 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -14.785 -29.653 15.182 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -15.131 -29.017 14.524 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -15.237 -29.398 16.018 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -7.623 -32.347 16.701 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -8.071 -31.827 17.405 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -8.263 -33.048 16.480 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -15.055 -23.563 23.051 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -14.437 -24.310 23.196 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -14.821 -22.923 23.761 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.949 -32.008 19.187 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -14.276 -31.116 19.417 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -13.211 -31.841 18.584 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -6.632 -22.641 14.083 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -6.963 -22.621 15.012 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.734 -22.258 14.143 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -9.781 -31.892 11.872 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -10.692 -32.127 11.592 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -9.862 -30.981 12.199 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -17.396 -26.748 18.943 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -18.340 -26.585 19.021 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -16.991 -26.105 19.559 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -10.718 -28.931 11.202 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -10.153 -28.524 10.538 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -10.146 -29.002 11.995 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -11.466 -29.496 22.640 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -12.289 -30.013 22.527 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -11.418 -28.946 21.836 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -4.465 -30.451 7.381 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -4.418 -30.925 8.241 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -4.358 -31.142 6.725 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -6.992 -22.884 9.222 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -7.399 -22.515 10.031 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -6.991 -23.831 9.370 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -15.581 -27.858 13.225 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -14.756 -28.037 12.707 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -15.633 -26.898 13.258 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -16.935 -30.016 12.110 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -16.585 -29.215 12.553 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -17.853 -29.803 11.928 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -8.857 -18.571 22.354 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.112 -19.368 21.846 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.880 -18.642 22.432 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -5.516 -27.130 14.579 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -5.210 -26.798 13.709 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -6.496 -27.078 14.525 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.105 -33.782 17.800 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.571 -33.636 16.999 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -11.293 -34.745 17.786 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.718 -21.695 11.685 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.529 -21.203 11.952 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.401 -22.102 12.519 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -11.935 -33.767 13.832 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -12.060 -33.554 12.888 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -12.269 -32.966 14.300 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -9.307 -30.889 18.283 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.471 -29.958 18.565 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -9.672 -31.428 19.018 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -11.763 -36.672 13.748 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -10.818 -36.669 14.010 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -12.027 -35.735 13.808 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -14.780 -17.693 26.890 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -15.005 -18.411 26.250 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -15.609 -17.221 27.014 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -13.840 -30.734 22.299 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -14.361 -30.372 23.030 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -14.220 -30.314 21.498 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -4.090 -27.918 8.313 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -3.284 -27.747 7.788 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -4.409 -28.786 7.983 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -12.590 -33.178 21.995 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.064 -32.317 22.028 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -13.186 -33.759 21.474 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -14.323 -34.472 20.224 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -15.251 -34.701 20.102 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -14.224 -33.606 19.758 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.450 -29.417 18.083 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.429 -29.586 17.134 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.582 -28.988 18.270 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.548 -32.521 20.157 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -11.294 -32.653 20.775 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.810 -33.025 19.351 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -9.113 -33.601 22.286 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -9.342 -32.916 22.924 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -9.432 -33.246 21.430 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.849 -36.002 22.814 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.100 -35.056 22.711 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.300 -36.020 23.623 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.639 -37.807 24.561 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.845 -38.304 24.859 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.299 -37.216 23.854 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -13.310 -35.737 25.395 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -12.730 -36.460 25.074 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -13.948 -36.182 25.960 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 2.510 -18.919 18.881 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 2.013 -18.768 19.718 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 3.195 -19.550 19.124 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -7.009 -25.102 12.904 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -7.657 -25.619 13.422 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -7.008 -24.218 13.333 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -3.598 -28.028 10.986 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -3.933 -28.039 10.060 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.109 -27.310 11.418 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -4.261 -31.855 9.721 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -3.888 -31.726 10.621 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -5.198 -32.105 9.886 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -7.209 -30.944 14.423 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -7.233 -31.741 13.853 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -7.362 -31.297 15.329 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -4.664 -32.471 15.403 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -5.526 -32.623 15.827 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -4.547 -31.497 15.446 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -6.960 -32.471 10.351 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -7.657 -31.880 10.655 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -7.371 -33.359 10.381 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -3.127 -23.927 13.758 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -3.398 -22.991 13.662 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -3.572 -24.220 14.582 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -14.752 -20.017 21.034 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -15.465 -20.669 21.151 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -14.243 -20.356 20.266 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -13.379 -21.187 18.914 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -13.257 -22.046 18.484 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -12.583 -20.679 18.660 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.967 -20.968 20.731 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -8.232 -21.480 20.358 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -9.762 -21.441 20.423 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -1.201 -20.706 19.461 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -0.974 -21.492 18.937 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -2.099 -20.458 19.150 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.514 -22.842 19.319 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.361 -23.674 19.803 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -11.192 -23.080 18.647 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.650 -33.826 15.376 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.515 -33.872 14.909 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.003 -33.629 14.659 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -6.629 -37.394 13.749 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -5.831 -37.206 14.296 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.868 -38.302 13.987 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -0.830 -33.121 12.808 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -0.541 -33.660 13.587 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -0.480 -33.599 12.046 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.454 -34.741 10.842 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.403 -34.765 10.683 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -8.205 -35.690 10.945 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -5.529 -20.768 10.337 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -6.322 -20.941 10.888 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -5.637 -21.370 9.580 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -11.821 -27.426 31.203 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.621 -27.520 31.730 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.892 -26.516 30.818 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.116 -28.622 35.156 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -9.175 -29.574 34.930 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.149 -28.173 34.297 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.268 -20.126 34.584 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -8.845 -19.928 33.721 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.208 -20.042 34.411 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.912 -32.800 35.966 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -7.141 -33.495 35.296 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -6.199 -32.276 35.532 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -4.628 -34.557 30.292 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -3.842 -34.242 30.791 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -4.852 -35.415 30.722 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -11.937 -24.817 30.427 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -12.152 -24.143 29.758 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -11.018 -24.607 30.692 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -6.676 -21.829 38.118 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -6.626 -22.749 37.792 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -6.881 -21.301 37.319 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -9.269 -21.820 30.660 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -9.193 -22.778 30.864 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -8.994 -21.750 29.719 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.251 -24.619 31.025 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.100 -25.413 31.582 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.896 -24.867 30.158 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -3.684 -23.822 37.016 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -3.954 -23.052 36.461 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -4.534 -24.213 37.304 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.295 -28.958 29.362 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -10.014 -28.164 28.848 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.803 -28.582 30.109 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -13.070 -30.518 25.721 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.965 -31.412 25.341 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -12.681 -30.594 26.615 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -9.221 -29.828 37.661 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -8.658 -29.254 38.200 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -9.380 -29.310 36.847 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -6.338 -24.553 37.684 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -6.807 -25.227 37.135 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -6.599 -24.764 38.586 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -9.511 -23.789 28.115 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -10.462 -23.587 28.182 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.098 -22.920 27.932 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.779 -21.142 28.030 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.865 -20.923 27.757 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -9.305 -20.368 27.730 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -3.981 -29.122 38.847 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -3.301 -28.775 38.226 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -3.472 -29.345 39.655 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.122 -32.586 37.641 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.205 -32.636 37.311 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.279 -31.621 37.767 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -12.561 -33.176 24.823 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.923 -34.070 25.031 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.480 -33.175 23.848 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -8.101 -31.017 29.919 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -8.929 -30.574 29.657 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.417 -30.545 29.430 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -9.247 -27.214 32.196 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -10.163 -27.312 31.865 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -8.890 -28.129 32.187 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -9.021 -31.423 34.632 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -8.239 -31.746 35.117 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.652 -32.169 34.680 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -7.812 -34.571 34.162 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -8.752 -34.473 34.406 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -7.830 -35.140 33.362 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -8.560 -29.866 32.413 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.346 -30.431 31.646 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -8.691 -30.502 33.149 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -13.788 -24.161 26.811 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -13.181 -24.884 26.549 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -13.392 -23.805 27.624 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -1.342 -25.463 36.604 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -2.050 -25.039 37.123 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -1.705 -25.499 35.698 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -10.011 -26.478 28.190 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.598 -25.590 28.189 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -10.735 -26.398 27.540 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -2.339 -30.034 40.926 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -1.497 -29.947 41.398 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -2.389 -30.982 40.702 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -12.621 -19.099 27.823 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -13.436 -18.570 27.684 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -12.651 -19.346 28.763 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -7.662 -26.701 36.655 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -7.189 -27.390 37.171 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -8.255 -27.210 36.072 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -12.091 -22.736 28.490 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -12.144 -22.011 29.153 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -12.023 -22.264 27.630 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -10.138 -33.897 35.503 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -9.867 -33.390 36.302 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -10.385 -34.765 35.849 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.398 -33.832 30.115 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -7.548 -32.868 30.104 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -6.424 -33.925 30.152 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -11.799 -30.941 28.161 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -11.259 -30.191 28.499 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -12.208 -31.312 28.952 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -10.063 -37.228 30.370 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -10.364 -37.727 29.587 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.148 -36.283 30.097 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -11.848 -21.168 26.231 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -10.955 -20.851 26.014 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.253 -20.416 26.721 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.597 -34.729 37.999 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.518 -34.047 37.304 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -6.108 -35.500 37.638 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -14.205 -22.070 25.177 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -14.277 -22.857 25.767 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -13.308 -21.718 25.362 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -4.525 -21.610 35.653 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -4.277 -21.468 34.708 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -5.429 -21.228 35.721 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -13.274 -25.667 23.393 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -12.378 -25.282 23.435 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -13.200 -26.496 23.913 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -6.535 -28.797 37.948 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -6.579 -29.673 37.550 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -5.648 -28.775 38.379 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -11.762 -25.873 26.104 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -11.221 -25.429 25.422 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -12.042 -26.712 25.678 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -12.546 -28.045 24.641 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -12.009 -28.477 23.937 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -12.885 -28.802 25.171 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -6.573 -20.015 26.824 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.864 -20.598 26.086 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -6.970 -19.142 26.612 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -1.264 -22.926 35.042 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -1.193 -23.088 35.991 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -1.754 -23.705 34.702 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.577 -25.102 34.132 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.292 -25.929 33.678 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -3.437 -24.902 33.741 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -2.236 -21.614 37.979 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -2.923 -21.204 38.551 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -2.640 -22.455 37.696 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -2.579 -32.672 40.038 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -3.434 -32.635 39.590 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -2.671 -33.423 40.668 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 0.460 -30.811 41.521 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 0.581 -31.691 41.921 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 0.277 -31.003 40.575 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -2.009 -28.267 37.147 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -1.573 -27.406 37.030 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -1.309 -28.924 36.931 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -1.301 -37.503 41.113 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -0.632 -38.175 41.349 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -0.954 -36.684 41.491 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.028 -34.865 41.698 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -3.654 -35.272 41.063 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.150 -35.387 42.517 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -5.529 -19.764 31.111 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -5.491 -19.841 30.141 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -4.758 -19.197 31.331 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.603 -39.497 38.680 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -4.435 -39.241 39.610 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -4.380 -40.455 38.651 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -4.474 -20.735 39.262 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.232 -21.180 38.816 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -4.886 -20.186 39.931 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -7.937 -35.977 31.782 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -8.643 -36.504 31.357 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -7.806 -35.218 31.170 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.595 -37.432 35.350 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -3.375 -36.475 35.415 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -2.983 -37.862 35.981 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -10.980 -33.391 27.157 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -11.129 -32.482 27.478 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -11.462 -33.424 26.310 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -2.681 -22.186 31.097 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -2.721 -23.133 30.840 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -2.534 -21.720 30.266 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 0.120 -14.841 19.451 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -0.114 -13.992 19.899 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -0.599 -14.983 18.825 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -4.945 -17.188 18.437 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.738 -16.315 18.836 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.880 -17.340 18.675 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -10.862 -20.368 18.019 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -10.579 -21.180 18.479 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -10.057 -19.806 18.010 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -5.096 -14.336 28.975 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -4.954 -15.274 29.225 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -4.258 -14.071 28.552 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -7.281 -17.771 19.834 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -6.642 -18.350 20.306 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -7.947 -17.564 20.504 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -4.912 -14.482 25.837 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.922 -15.421 25.569 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -5.831 -14.305 26.117 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -6.645 -15.934 22.976 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -7.510 -15.920 23.399 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -6.509 -16.881 22.735 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -4.015 -15.231 22.629 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -3.700 -16.156 22.719 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -4.958 -15.273 22.909 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -7.331 -14.250 27.329 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -7.997 -13.773 27.831 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -6.570 -14.323 27.947 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -9.668 -17.285 24.646 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -9.383 -17.802 23.857 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -10.526 -16.894 24.373 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -4.715 -14.952 19.978 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -5.584 -14.567 20.126 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -4.311 -14.980 20.871 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -7.513 -17.514 26.416 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -7.794 -17.515 27.366 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.337 -17.336 25.923 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -13.933 -18.456 23.164 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -14.150 -18.959 22.344 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -14.515 -18.848 23.841 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -10.090 -19.049 26.763 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -10.016 -18.382 26.052 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -10.926 -18.820 27.221 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -0.616 -12.697 20.941 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -1.074 -13.194 21.653 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -0.572 -11.793 21.277 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -1.325 -17.997 24.512 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -0.751 -17.237 24.289 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.007 -17.997 23.810 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -3.340 -17.846 22.662 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -4.206 -18.207 22.386 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -2.725 -18.115 21.942 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.641 -19.482 19.003 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -4.242 -19.666 19.765 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.986 -18.638 18.628 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -4.063 -21.360 13.796 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.290 -20.884 14.158 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -4.281 -20.867 12.987 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 1.330 -20.259 14.677 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 0.798 -20.540 15.430 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 0.892 -19.438 14.368 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -1.810 -19.626 13.722 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -2.384 -19.400 12.960 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -1.193 -18.874 13.792 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -12.458 -16.107 26.400 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -13.268 -16.610 26.607 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -12.385 -16.162 25.426 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -3.959 -21.012 33.115 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -3.459 -21.517 32.431 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -4.678 -20.586 32.613 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -1.575 -18.601 29.035 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -1.865 -18.210 28.188 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -0.942 -17.946 29.397 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -7.954 -17.672 29.098 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -8.685 -17.217 29.575 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -7.229 -17.677 29.731 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -12.152 -16.496 23.696 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -12.311 -15.936 22.930 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -12.737 -17.282 23.543 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -10.300 -15.324 27.895 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -11.123 -15.544 27.396 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -9.620 -15.258 27.213 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -9.918 -16.421 30.309 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -10.084 -16.056 29.402 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -10.020 -15.663 30.889 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -1.363 -14.097 29.558 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.915 -14.012 28.749 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.826 -13.277 29.564 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -8.242 -19.739 32.073 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -7.288 -19.670 31.860 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -8.550 -20.509 31.543 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -11.736 -20.607 30.202 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -10.900 -21.085 30.382 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -11.682 -19.819 30.783 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -2.791 -13.547 27.302 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -3.508 -13.788 26.668 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -2.143 -13.066 26.759 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -5.048 -17.221 25.353 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.950 -17.336 25.739 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -5.131 -17.565 24.450 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -5.096 -16.897 30.016 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -5.068 -17.583 29.312 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -4.430 -17.206 30.668 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -2.712 -17.576 26.757 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -3.566 -17.309 26.347 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -2.178 -17.909 25.995 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -5.600 -18.043 34.694 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -4.884 -18.311 35.303 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -5.238 -17.270 34.228 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -5.969 -14.814 31.627 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -5.878 -15.660 31.150 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -5.826 -14.144 30.943 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -6.876 -20.269 35.815 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -6.529 -19.421 35.460 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -7.804 -20.301 35.485 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -4.651 -19.064 28.443 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.889 -18.813 27.892 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -5.272 -19.500 27.812 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -10.754 -18.590 31.771 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -10.563 -17.781 31.254 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -9.869 -18.945 31.988 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 5.381 -41.318 18.232 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 4.831 -41.321 17.412 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 5.955 -40.540 18.122 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 6.314 -45.915 18.764 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 6.629 -44.983 18.631 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 6.902 -46.442 18.211 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 12.849 -43.768 17.878 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 12.588 -43.251 18.679 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 13.079 -44.642 18.224 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 1.401 -44.151 18.106 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 2.179 -44.618 18.488 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 1.790 -43.457 17.558 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 7.177 -43.391 18.432 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 8.031 -42.922 18.546 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 6.523 -42.670 18.335 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 8.378 -39.664 14.471 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 7.990 -40.435 14.041 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 9.013 -40.046 15.125 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 3.583 -45.540 19.119 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 3.132 -46.273 19.580 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 4.492 -45.878 18.959 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 1.274 -43.293 21.281 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 2.078 -43.394 20.741 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 0.880 -42.461 20.964 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 9.982 -40.879 16.263 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 9.717 -41.223 17.137 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 10.894 -41.215 16.142 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 16.212 -45.499 20.414 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 15.603 -46.026 19.848 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 15.823 -44.596 20.406 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 11.055 -43.287 22.234 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 11.410 -42.914 21.385 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 10.248 -43.745 21.970 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 3.740 -42.904 19.822 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 3.858 -43.841 19.552 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 4.387 -42.412 19.269 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 1.441 -46.898 20.550 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 0.662 -46.942 21.141 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 1.055 -46.952 19.647 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 2.903 -45.693 22.593 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 2.183 -45.145 22.965 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 2.485 -46.153 21.833 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 6.367 -39.347 16.388 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 6.706 -38.762 17.099 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 7.042 -39.282 15.684 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 18.052 -38.181 11.300 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 17.784 -37.707 12.117 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 19.038 -38.158 11.323 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -1.957 -44.510 21.338 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.557 -44.031 20.580 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -1.397 -45.313 21.438 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 6.354 -35.481 15.270 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 6.244 -35.768 16.192 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 5.514 -34.996 15.075 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 2.643 -40.324 13.643 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 2.451 -39.500 13.144 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 2.598 -41.015 12.979 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 10.751 -35.667 11.718 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 10.460 -36.592 11.838 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 10.119 -35.154 12.248 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 9.204 -37.905 12.530 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 8.561 -38.100 11.808 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 8.952 -38.527 13.246 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 13.641 -44.076 22.872 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 12.708 -43.932 22.603 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 14.164 -43.655 22.154 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 8.435 -45.598 23.617 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 7.739 -45.048 24.000 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 8.043 -45.926 22.774 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 6.827 -46.073 21.488 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 6.247 -45.406 21.912 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 6.523 -46.097 20.560 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 0.879 -44.217 23.775 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 0.913 -43.791 22.884 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -0.037 -44.078 24.069 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 0.679 -40.794 20.128 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 0.668 -39.998 19.564 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 1.494 -40.691 20.665 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 0.199 -46.659 18.148 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -0.561 -46.742 17.565 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 0.515 -45.745 18.004 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -0.815 -46.827 22.189 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -0.215 -47.053 22.939 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -1.706 -47.057 22.520 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 5.385 -44.778 25.604 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 4.474 -44.504 25.849 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 5.426 -44.618 24.637 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 19.432 -40.167 13.974 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 20.276 -40.450 13.559 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 18.742 -40.540 13.393 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 14.134 -46.905 19.104 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 13.823 -47.486 18.378 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 13.877 -47.384 19.922 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 4.110 -40.867 15.912 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 3.540 -40.636 15.145 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 4.851 -40.227 15.861 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 3.065 -40.901 21.516 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 3.596 -41.146 22.292 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 3.274 -41.602 20.856 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 5.753 -37.088 13.000 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 5.112 -36.447 12.651 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 5.977 -36.744 13.881 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 16.793 -35.712 10.375 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 17.105 -35.359 9.517 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 17.058 -36.651 10.361 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.569 -41.858 15.974 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 13.132 -42.174 15.258 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 12.634 -42.565 16.663 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 7.012 -38.282 10.942 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 6.529 -37.961 11.738 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 6.425 -38.046 10.199 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.961 -37.578 9.160 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 4.587 -38.205 8.538 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.185 -37.116 9.534 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 13.010 -48.335 16.925 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 12.925 -49.145 16.382 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 12.486 -47.683 16.456 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -8.454 -42.815 11.821 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -8.253 -43.396 12.572 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -9.164 -42.238 12.154 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -1.986 -43.436 23.861 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.018 -43.801 22.949 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -1.698 -42.508 23.734 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 10.341 -44.619 25.390 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 9.911 -44.937 24.572 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 9.605 -44.551 26.032 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 1.027 -47.510 24.087 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 1.322 -48.171 24.720 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 1.833 -47.018 23.862 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 7.960 -44.795 26.837 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 7.035 -44.644 26.557 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 7.887 -45.017 27.798 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 5.278 -44.333 22.869 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 5.159 -43.410 22.569 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 4.402 -44.759 22.704 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 8.415 -47.349 25.968 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 8.784 -47.204 25.081 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 8.409 -46.455 26.370 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 9.380 -41.768 18.876 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 9.211 -40.942 19.344 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 10.344 -41.914 18.994 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 2.811 -36.203 10.283 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 2.314 -35.519 9.820 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 3.344 -35.704 10.952 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 1.895 -38.303 11.919 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 0.999 -37.962 11.933 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 2.385 -37.663 11.366 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 15.238 -40.648 14.701 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 15.513 -40.352 13.818 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 16.012 -41.109 15.046 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 16.841 -41.006 20.233 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 16.291 -40.319 19.779 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 17.754 -40.708 20.088 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -0.866 -42.987 19.268 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.086 -43.471 18.922 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.499 -42.130 19.568 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 13.530 -48.138 21.540 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 12.737 -48.580 21.849 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 14.148 -48.201 22.293 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 12.452 -50.487 15.185 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 12.439 -50.622 14.232 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 12.467 -51.376 15.551 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 15.922 -45.672 23.121 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 16.121 -45.711 22.158 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 15.085 -45.161 23.168 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -7.463 -41.838 9.476 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -7.790 -42.113 10.364 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -7.458 -42.650 8.966 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 8.503 -35.427 13.506 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 8.674 -36.361 13.257 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 7.830 -35.487 14.218 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 5.864 -44.016 35.323 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 4.924 -44.154 35.606 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 5.888 -43.098 35.031 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -1.134 -44.807 37.564 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -2.083 -45.024 37.476 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -1.069 -44.403 38.465 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 0.242 -44.365 31.851 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 0.222 -44.363 30.869 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 0.677 -45.215 32.081 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 3.306 -44.312 36.071 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 2.867 -44.098 36.918 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 2.594 -44.708 35.532 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 4.791 -40.038 36.751 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 5.734 -39.856 36.692 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 4.387 -39.409 36.101 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 11.640 -52.222 28.279 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 12.117 -53.003 27.988 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 12.293 -51.486 28.172 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 1.036 -45.454 34.980 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 0.658 -46.066 35.624 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 1.119 -45.985 34.160 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 4.089 -46.836 32.493 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 4.859 -46.722 33.099 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 4.157 -46.077 31.873 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 6.283 -44.519 39.961 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 6.352 -44.912 40.839 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 5.343 -44.230 39.901 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 5.676 -47.457 26.232 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 6.656 -47.507 26.211 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.480 -46.536 25.954 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 15.884 -44.852 39.843 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 15.127 -44.747 40.437 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 15.477 -44.954 38.947 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 8.226 -45.516 42.589 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 9.100 -45.447 43.055 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 8.116 -46.461 42.437 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 1.411 -46.786 32.552 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 2.400 -46.843 32.558 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 1.133 -47.602 32.123 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 3.734 -41.407 38.873 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 2.766 -41.344 38.735 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 4.120 -40.914 38.112 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.934 -43.448 39.833 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.435 -42.637 39.590 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.825 -43.514 40.802 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 1.020 -42.510 27.150 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 0.614 -42.919 27.934 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 0.845 -41.559 27.257 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 1.558 -44.041 38.153 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 0.709 -44.459 37.916 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 1.302 -43.136 38.462 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 4.216 -45.124 30.356 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 3.584 -45.147 29.612 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 4.919 -45.746 30.091 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 10.166 -42.789 32.516 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 9.679 -43.588 32.285 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 10.162 -42.782 33.501 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 7.830 -45.890 29.329 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 7.111 -46.355 29.803 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 8.504 -46.588 29.179 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 8.990 -43.978 40.401 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 8.870 -44.488 41.228 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.116 -44.034 39.962 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 0.183 -44.365 29.106 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -0.510 -44.821 28.611 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 1.016 -44.826 28.838 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 5.191 -49.904 29.240 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 5.444 -50.072 28.300 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 5.250 -50.769 29.657 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 5.676 -50.177 26.610 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 5.658 -49.229 26.356 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 5.980 -50.627 25.817 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 6.304 -46.355 33.966 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 7.151 -46.672 34.292 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 6.173 -45.499 34.428 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 14.597 -41.798 37.652 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 13.829 -42.374 37.423 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 14.830 -41.378 36.808 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.351 -48.018 28.594 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 9.429 -48.957 28.870 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.104 -48.065 27.652 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 9.535 -41.337 40.821 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 9.328 -42.290 40.731 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 10.213 -41.175 40.120 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 11.860 -48.378 29.735 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 11.405 -49.168 30.062 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 11.147 -47.837 29.356 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -0.943 -46.420 43.015 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -1.551 -46.920 42.425 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -1.307 -46.567 43.905 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 15.923 -44.197 31.871 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 16.851 -43.899 32.021 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 16.017 -44.958 31.270 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 14.080 -43.192 42.435 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 14.811 -42.707 42.865 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 13.469 -43.403 43.169 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 9.867 -45.309 36.709 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 8.930 -45.371 37.010 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 10.386 -45.335 37.535 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 2.431 -45.563 28.231 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 2.584 -45.171 27.344 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 2.756 -46.493 28.142 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 7.298 -45.100 37.439 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 6.818 -44.932 38.275 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 6.713 -44.729 36.748 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 9.963 -50.539 29.612 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 10.523 -51.122 29.044 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 9.623 -51.130 30.288 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 5.800 -47.465 30.327 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.655 -48.338 29.905 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.395 -47.558 31.208 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 10.019 -43.066 35.224 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 9.984 -43.976 35.612 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.335 -42.581 35.701 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 5.341 -38.514 44.836 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 5.489 -37.542 44.745 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 4.690 -38.720 44.131 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 0.681 -45.391 45.338 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -0.135 -45.861 45.604 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 0.781 -45.607 44.395 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 5.730 -41.493 22.493 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 5.740 -40.626 22.033 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 6.622 -41.580 22.848 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 3.689 -39.128 42.697 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 3.557 -38.325 42.173 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 3.233 -39.829 42.180 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 12.319 -42.943 36.784 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 12.041 -43.739 37.270 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 11.648 -42.850 36.077 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -3.006 -47.689 41.756 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -3.525 -46.963 41.345 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -3.336 -48.484 41.332 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 2.675 -44.221 25.860 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 2.195 -43.491 26.313 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 2.152 -44.373 25.044 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 3.630 -43.854 39.938 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 2.911 -44.163 39.343 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.784 -42.918 39.657 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 3.561 -47.979 27.919 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 3.905 -48.682 28.497 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.286 -47.822 27.279 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 11.269 -44.600 39.001 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 10.469 -44.250 39.456 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 12.002 -44.021 39.324 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 14.589 -42.549 27.213 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 15.229 -42.061 26.654 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 13.972 -42.964 26.563 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.457 -46.413 41.092 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 11.403 -45.819 40.316 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 11.975 -47.160 40.782 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 14.550 -42.548 46.130 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 14.660 -41.906 46.856 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 15.167 -42.237 45.440 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 17.467 -44.978 29.608 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 18.124 -45.377 28.997 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 18.009 -44.576 30.308 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 12.935 -43.828 25.526 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 12.041 -44.250 25.543 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 13.286 -44.048 24.634 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.814 -41.621 24.345 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 12.142 -42.338 24.916 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.390 -42.090 23.597 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 15.244 -45.169 34.449 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 15.457 -44.988 33.520 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 15.995 -45.698 34.769 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 -0.539 -43.219 35.366 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 0.178 -43.871 35.215 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 -0.912 -43.478 36.229 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 13.281 -43.032 39.847 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 13.531 -43.021 40.800 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 13.970 -42.502 39.413 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 13.285 -50.103 28.127 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 13.911 -49.620 27.546 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 12.913 -49.405 28.705 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 2.963 -44.454 46.481 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 2.139 -44.787 46.058 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 2.985 -44.895 47.333 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 9.098 -36.048 49.407 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 8.993 -35.537 50.215 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 8.307 -36.643 49.396 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 15.692 -41.366 43.889 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 14.808 -40.932 43.922 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 16.299 -40.650 43.669 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 6.875 -37.577 49.587 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 6.235 -37.804 50.265 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 6.570 -38.072 48.794 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 6.964 -40.688 44.405 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 6.998 -41.175 45.261 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 6.302 -39.981 44.562 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 10.861 -37.741 48.053 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 10.416 -37.132 48.681 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.118 -38.231 47.635 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 10.731 -45.362 43.499 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 11.116 -45.759 42.684 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 11.448 -44.812 43.857 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 6.719 -43.878 44.218 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 7.153 -43.017 44.125 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 7.271 -44.485 43.683 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 8.619 -38.772 46.858 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 7.729 -39.048 47.160 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 8.455 -37.930 46.369 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 16.334 -38.451 46.689 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 15.808 -38.228 45.891 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 17.211 -38.079 46.501 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 2.364 -43.893 42.381 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 3.066 -43.750 43.057 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 2.860 -44.034 41.545 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 14.816 -40.362 47.868 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 15.402 -39.665 47.479 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 15.159 -40.487 48.759 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 15.315 -37.655 44.266 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 15.396 -37.716 43.288 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 14.493 -37.135 44.399 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 3.080 -40.776 44.871 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 3.422 -41.637 44.537 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 3.196 -40.165 44.118 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 0.811 -40.731 46.396 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 1.618 -40.628 45.850 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 0.326 -41.463 45.964 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.098 -43.274 44.334 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 3.785 -43.716 45.158 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.055 -43.504 44.289 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 6.670 -42.173 46.635 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 6.602 -43.115 46.441 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 5.802 -41.943 47.025 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 4.176 -41.232 47.308 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 3.439 -41.650 47.768 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 3.793 -40.958 46.443 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 2.118 -41.199 41.739 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 1.888 -41.355 40.797 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 2.135 -42.096 42.128 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 10.099 -40.318 45.185 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 10.941 -40.206 45.660 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 9.434 -39.933 45.791 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 -0.318 -43.845 42.477 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 0.659 -43.903 42.351 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 -0.608 -44.785 42.533 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 12.429 -43.411 44.709 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 11.654 -43.340 45.283 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 13.196 -43.286 45.323 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 5.920 -39.064 47.467 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 5.344 -39.846 47.600 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 5.674 -38.738 46.574 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 -1.256 -40.401 43.854 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 -1.612 -40.646 42.970 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 -1.027 -41.257 44.267 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 -3.034 -38.899 45.302 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 -2.515 -38.767 46.116 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 -2.463 -39.475 44.750 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 -0.988 -36.731 44.689 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 -1.912 -36.784 44.385 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 -0.956 -37.325 45.465 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 10.014 -19.253 -1.550 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 10.877 -19.698 -1.726 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 9.394 -19.996 -1.387 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 11.590 -21.159 2.723 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 10.661 -21.236 2.428 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.081 -20.896 1.917 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 12.497 -20.372 -1.535 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 13.311 -20.637 -1.971 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 12.762 -20.221 -0.601 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 16.130 -23.528 1.827 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 15.810 -24.351 2.239 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 16.953 -23.793 1.370 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.813 -21.172 2.886 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 7.869 -21.229 2.635 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 8.903 -21.823 3.617 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 2.043 -18.975 5.013 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.851 -18.670 4.568 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 2.356 -19.669 5.629 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.068 -21.456 2.473 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 5.802 -21.452 3.417 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 5.595 -20.706 2.092 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 0.133 -25.922 6.661 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 0.271 -25.050 6.285 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 0.557 -25.873 7.547 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 8.610 -23.137 4.795 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 9.133 -23.772 5.319 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 7.841 -22.936 5.368 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.745 -25.768 3.466 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 16.131 -25.238 4.193 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 14.936 -26.162 3.862 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 6.689 -22.970 0.235 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 7.376 -22.405 -0.161 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 6.558 -22.598 1.132 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.105 -26.809 3.862 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 10.552 -26.083 3.486 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.521 -27.574 3.858 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 15.088 -19.809 3.196 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 15.580 -20.599 3.502 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 15.655 -19.058 3.461 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 2.263 -19.490 9.188 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 3.054 -19.162 9.662 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 1.751 -19.967 9.881 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.583 -20.293 6.541 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.162 -20.994 7.079 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 10.286 -20.771 6.040 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 -1.726 -27.839 6.894 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 -1.873 -28.157 5.999 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 -1.057 -27.119 6.788 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 9.306 -25.001 2.864 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 8.753 -24.887 2.085 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 9.031 -24.277 3.462 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 -1.303 -31.680 9.071 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 -0.962 -32.327 8.421 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 -2.255 -31.880 9.133 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 9.238 -25.471 6.405 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 8.497 -25.160 6.955 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 9.081 -26.426 6.319 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 9.482 -29.750 5.122 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.266 -30.194 4.296 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.027 -30.405 5.611 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.721 -24.429 5.934 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.270 -25.126 5.547 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 10.853 -24.866 6.089 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 0.041 -33.208 7.082 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 0.591 -32.457 6.845 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 0.212 -33.863 6.369 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 9.810 -35.061 7.226 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 9.325 -35.724 7.727 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 9.268 -34.251 7.311 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 16.315 -17.450 4.064 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.646 -17.156 4.722 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 16.288 -16.769 3.379 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 12.618 -18.983 4.067 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 13.562 -19.179 3.905 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 12.154 -19.778 3.740 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 18.316 -20.959 -1.902 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 17.843 -20.958 -1.061 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 18.027 -21.766 -2.336 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 13.419 -29.420 5.567 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 13.481 -29.579 6.537 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 12.640 -29.919 5.299 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 17.549 -34.336 8.074 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 18.066 -34.634 7.318 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 16.657 -34.154 7.701 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 15.101 -33.689 6.919 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 15.062 -33.123 6.138 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 14.208 -34.104 6.959 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 13.244 -19.757 1.040 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.930 -19.777 1.744 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 13.075 -18.810 0.896 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 4.604 -21.761 -1.040 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 3.854 -22.348 -1.170 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 5.275 -22.323 -0.593 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 5.508 -16.660 1.677 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 4.796 -16.829 2.326 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 5.111 -16.881 0.826 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.025 -21.151 -1.501 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 7.962 -21.660 -2.318 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 7.259 -20.536 -1.542 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 6.465 -27.010 11.601 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 6.879 -27.833 11.323 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 5.530 -27.257 11.757 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 7.791 -28.063 6.621 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 7.366 -28.771 7.149 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 8.408 -28.549 6.033 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.508 -23.277 8.466 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 12.220 -23.686 9.004 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 11.626 -23.668 7.578 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 12.751 -34.685 10.074 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 11.934 -34.975 10.549 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 13.472 -35.020 10.625 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 2.813 -21.894 13.148 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 3.705 -21.538 13.335 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 2.235 -21.444 13.814 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 14.687 -25.655 7.202 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 15.508 -26.172 7.341 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 14.251 -26.096 6.445 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 7.052 -32.065 9.922 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 6.668 -31.378 10.516 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 7.043 -32.883 10.470 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.973 -28.212 11.852 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 3.175 -27.676 11.659 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 3.642 -28.921 12.452 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 -0.225 -34.494 15.000 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 -0.854 -34.680 15.710 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 0.645 -34.400 15.464 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 -3.212 -31.799 12.279 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 -3.747 -31.864 13.081 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 -2.415 -32.327 12.477 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 3.086 -30.254 13.337 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 3.221 -30.639 14.220 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 2.148 -30.432 13.143 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 6.647 -30.359 7.800 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 5.691 -30.412 7.687 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 6.821 -30.878 8.617 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 8.542 -32.591 7.656 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 8.225 -32.582 8.585 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 8.032 -31.884 7.229 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.507 -21.738 5.361 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 11.638 -21.675 4.392 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 11.672 -22.683 5.564 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 13.840 -24.350 9.508 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 14.535 -24.524 10.173 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 14.112 -24.883 8.732 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 3.105 -20.745 6.884 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 2.794 -20.206 7.648 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 3.018 -21.657 7.189 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 1.501 -24.419 13.217 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 1.996 -23.599 13.041 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 1.087 -24.262 14.089 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 6.866 -33.979 11.851 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.661 -33.328 12.565 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 7.514 -34.590 12.266 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 5.796 -30.317 11.565 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 5.139 -29.594 11.554 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.531 -30.868 12.320 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 0.950 -25.445 9.211 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 0.036 -25.537 9.576 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 1.224 -24.535 9.468 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 -1.074 -28.958 9.346 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 -1.119 -29.940 9.290 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 -1.320 -28.658 8.444 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 -1.426 -26.311 10.101 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 -1.436 -27.218 9.727 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 -2.355 -26.128 10.299 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 6.680 -22.830 6.727 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.429 -23.755 6.934 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 7.393 -22.626 7.376 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 8.878 -22.316 8.257 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 8.768 -21.786 9.076 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 9.761 -22.739 8.363 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 0.344 -30.717 13.478 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 -0.116 -31.544 13.217 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 0.824 -30.961 14.301 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.586 -25.574 7.378 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.089 -25.817 8.168 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.913 -26.430 7.027 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.607 -26.794 4.880 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 12.738 -26.719 4.417 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 13.672 -27.753 5.103 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 1.585 -26.831 11.512 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 1.579 -26.035 12.087 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 1.471 -26.473 10.607 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 -6.142 -20.602 18.290 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 -5.257 -20.378 17.956 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 -6.077 -20.441 19.262 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 0.403 -23.377 15.724 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 -0.538 -23.251 15.561 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 0.493 -23.279 16.693 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 16.737 -28.739 14.316 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 16.384 -27.849 14.046 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 16.752 -28.697 15.275 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 16.998 -31.452 13.942 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 16.891 -30.473 13.956 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 17.475 -31.626 13.109 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.879 -31.845 6.366 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 11.570 -32.498 6.563 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 10.107 -32.152 6.885 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 12.426 -34.280 7.336 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 11.552 -34.666 7.092 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.510 -34.476 8.294 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 14.200 -32.434 9.226 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 14.681 -32.832 8.476 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 13.554 -33.122 9.488 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 -3.089 -34.714 15.176 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 -3.693 -33.955 15.346 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 -2.543 -34.419 14.437 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 1.216 -18.205 21.144 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 1.437 -17.319 21.490 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 0.238 -18.224 21.143 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 1.530 -15.480 21.714 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.931 -15.344 20.949 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.202 -14.770 21.616 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 0.861 -34.677 4.882 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 0.246 -35.137 4.269 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 1.730 -34.842 4.509 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 -4.492 -25.838 12.329 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 -5.403 -25.461 12.319 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 -3.937 -25.112 12.695 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 -0.597 -36.008 2.985 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 -1.391 -35.613 2.611 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 -0.565 -36.890 2.599 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 4.282 -34.849 12.096 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 5.184 -34.513 11.897 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 4.109 -34.540 13.017 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.867 -16.618 4.416 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.147 -17.515 4.721 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 0.131 -16.792 3.818 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 5.834 -28.259 37.891 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 5.495 -29.052 37.416 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 5.029 -27.863 38.291 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 4.514 -24.769 37.432 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 3.586 -24.709 37.119 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 4.504 -25.519 38.045 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 14.051 -26.420 34.424 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 14.062 -25.797 33.688 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 14.060 -27.308 33.981 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 7.317 -23.933 38.102 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 7.573 -24.875 38.062 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 6.352 -23.946 37.991 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 3.475 -27.381 39.049 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 2.685 -27.836 38.672 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 3.470 -27.642 39.982 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 1.182 -28.782 38.474 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 0.663 -29.167 39.190 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 0.821 -29.204 37.667 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 15.430 -25.637 39.592 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 15.069 -25.503 38.690 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 14.664 -25.519 40.170 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 9.618 -22.422 38.258 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 9.646 -21.807 37.501 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 8.726 -22.839 38.194 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 1.707 -25.317 37.051 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 1.647 -25.837 37.860 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 0.791 -25.276 36.728 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 6.834 -31.475 41.320 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 5.967 -31.131 41.615 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 7.175 -30.777 40.712 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 1.703 -28.158 44.510 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 2.300 -27.873 45.211 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 0.858 -28.282 44.954 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 8.906 -27.052 40.472 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 9.431 -27.252 41.271 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 9.288 -26.210 40.144 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -0.212 -31.390 38.960 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -0.994 -31.945 39.146 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 -0.355 -31.073 38.031 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 3.978 -33.897 39.201 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 3.258 -34.476 38.917 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 3.676 -33.004 38.947 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 10.249 -24.803 39.530 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 9.984 -23.944 39.130 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 10.701 -24.551 40.357 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 7.783 -21.801 35.157 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 8.636 -21.430 35.460 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 7.426 -21.120 34.555 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 12.306 -21.617 38.623 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 12.526 -21.787 39.567 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 11.337 -21.764 38.578 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 -0.746 -19.599 36.832 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 -0.994 -19.786 35.905 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 -1.093 -20.370 37.332 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 12.541 -22.119 41.304 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 12.051 -22.929 41.562 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 13.386 -22.186 41.796 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 7.503 -29.324 39.838 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 8.004 -28.541 40.142 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 6.915 -28.976 39.140 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 2.512 -28.992 42.022 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 1.767 -29.583 41.780 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 2.230 -28.590 42.872 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 4.419 -30.338 36.815 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 3.939 -30.173 35.997 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 3.801 -30.878 37.352 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 10.936 -27.153 42.417 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 11.820 -27.463 42.109 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 10.548 -27.938 42.878 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 2.428 -31.921 38.063 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 2.053 -32.773 37.760 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 1.669 -31.461 38.465 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 8.027 -26.620 37.896 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 8.343 -26.874 38.786 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 7.248 -27.200 37.744 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 3.009 -33.051 42.371 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 3.413 -33.938 42.405 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 2.058 -33.228 42.231 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 5.988 -34.053 40.985 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 5.170 -33.981 40.441 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 6.327 -33.131 41.030 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 11.665 -38.611 43.213 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 12.243 -39.355 43.483 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 12.096 -37.822 43.601 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.500 -35.797 42.518 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 3.521 -36.072 41.578 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 2.570 -35.950 42.789 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 8.166 -36.505 45.475 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 7.349 -36.257 44.993 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 8.362 -35.718 46.032 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 19.368 -21.588 37.286 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 19.448 -22.282 36.616 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 19.500 -20.758 36.786 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 14.818 -25.503 43.088 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 14.862 -24.544 42.899 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 14.078 -25.585 43.732 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 17.528 -20.719 33.213 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 16.863 -20.005 33.335 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 18.355 -20.324 33.517 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.771 -22.180 35.985 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 12.875 -21.936 36.932 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.617 -21.881 35.565 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 0.331 -33.657 42.076 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 0.514 -34.588 42.330 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 -0.617 -33.647 41.888 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 13.102 -40.662 44.251 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 12.872 -40.343 45.152 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 12.672 -41.536 44.192 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 5.254 -22.978 35.197 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 5.104 -23.535 35.984 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 6.180 -22.664 35.297 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 10.943 -19.803 40.964 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 11.352 -20.663 41.171 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 11.660 -19.156 41.118 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.099 -18.083 40.828 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 12.719 -17.228 40.594 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 13.341 -18.484 39.964 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 -3.606 -19.081 36.307 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -3.884 -20.013 36.180 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -2.968 -19.124 37.036 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 1.721 -18.467 36.340 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 0.873 -18.738 36.758 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 1.730 -17.493 36.424 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 8.315 -17.657 35.957 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 7.557 -17.288 35.446 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.902 -18.290 36.565 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 10.267 -20.804 35.993 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 11.109 -21.295 35.999 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.534 -19.875 35.849 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 13.834 -19.282 38.503 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 13.885 -18.982 37.564 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 13.272 -20.084 38.468 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 14.870 -22.720 42.685 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 15.703 -22.520 42.213 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 15.054 -22.460 43.606 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 9.454 -29.098 43.599 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 9.342 -30.048 43.722 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.618 -28.714 43.944 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 12.787 -27.454 46.755 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 13.251 -28.255 46.422 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 12.108 -27.812 47.356 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 11.591 -29.807 47.807 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 12.308 -29.946 47.162 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 11.343 -30.695 48.080 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 12.361 -39.775 46.742 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 13.182 -39.983 47.239 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 11.940 -39.060 47.262 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 15.936 -24.319 45.916 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.195 -23.426 45.620 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 16.569 -24.913 45.464 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 13.564 -27.446 41.591 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 14.183 -27.867 40.978 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 14.123 -26.835 42.118 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 8.272 -34.590 42.390 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 8.675 -34.521 41.498 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 7.315 -34.481 42.223 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 4.466 -30.803 42.645 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 3.841 -30.096 42.372 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.925 -31.632 42.595 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 10.322 -35.466 43.935 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 9.639 -35.038 43.372 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 9.808 -35.899 44.636 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 11.534 -33.481 47.477 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 12.316 -32.926 47.683 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 11.919 -34.342 47.216 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 11.434 -24.479 42.129 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 11.747 -24.358 43.042 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 11.173 -25.424 42.096 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 12.477 -25.829 44.537 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 11.831 -26.396 44.087 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 12.599 -26.255 45.416 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 9.011 -34.473 47.110 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 9.044 -35.001 47.933 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 9.849 -33.955 47.126 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 5.679 -35.897 44.278 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.901 -35.025 44.684 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.955 -35.691 43.648 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.816 -28.716 44.306 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.776 -29.681 44.457 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.132 -28.551 43.651 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 6.706 -31.466 44.059 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 7.142 -31.733 43.227 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 5.774 -31.305 43.794 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 16.708 -21.976 44.679 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 17.088 -21.170 45.040 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 17.179 -22.104 43.824 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 18.172 -26.952 48.623 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 17.778 -27.563 47.964 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 17.469 -26.312 48.793 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 16.900 -28.594 46.855 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 16.671 -29.006 45.985 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 16.178 -27.943 47.009 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 13.886 -32.199 47.940 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 14.463 -31.851 48.628 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 14.500 -32.398 47.190 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 12.818 -36.412 44.422 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 12.869 -36.193 45.376 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 12.003 -35.947 44.116 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.258 -37.636 41.560 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 14.627 -38.138 41.036 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 16.003 -37.451 40.931 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 -0.794 -38.569 46.869 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 -0.535 -38.362 47.771 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 -0.254 -39.363 46.641 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.716 -35.956 47.113 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 13.462 -36.071 47.711 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 12.050 -36.611 47.425 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 0.799 -36.304 42.750 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 0.917 -37.258 42.539 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 0.236 -36.312 43.565 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 6.753 -33.769 45.560 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 6.791 -32.888 45.133 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 7.547 -33.795 46.126 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 13.484 -14.050 -0.785 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 12.933 -13.515 -0.184 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 14.382 -13.719 -0.643 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.542 -11.499 -1.718 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 7.124 -12.335 -2.032 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 7.020 -10.807 -2.126 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 6.131 -16.305 -3.981 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.494 -16.278 -4.873 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 6.825 -16.762 -3.453 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 14.351 -10.950 -0.342 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 14.668 -10.059 -0.523 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 15.118 -11.528 -0.550 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 9.116 -15.243 -2.374 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 8.705 -16.127 -2.281 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 10.081 -15.423 -2.341 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 5.858 -19.470 -1.727 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 5.197 -18.804 -2.033 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 5.308 -20.248 -1.469 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 11.368 -10.757 2.726 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 11.477 -11.129 1.820 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 10.481 -11.083 3.013 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 12.791 -12.246 4.471 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 12.312 -12.062 5.304 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 12.280 -11.752 3.794 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 4.118 -17.604 -2.634 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 4.726 -17.018 -3.136 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 3.264 -17.476 -3.057 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 8.440 -11.293 6.432 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 7.514 -11.324 6.117 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 8.373 -10.907 7.334 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 6.738 -13.895 -2.673 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 6.223 -14.588 -3.118 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 7.616 -14.307 -2.529 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 9.117 -11.799 3.800 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 8.446 -12.447 3.542 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 8.923 -11.614 4.739 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 7.789 -15.194 2.132 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 7.037 -15.780 1.890 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 7.370 -14.462 2.623 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 5.810 -11.388 5.491 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 5.474 -11.913 6.263 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 5.167 -10.674 5.395 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 6.530 -13.157 3.494 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 6.330 -12.556 4.249 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 6.103 -12.732 2.736 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 5.497 -15.362 5.148 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 5.798 -14.740 4.462 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 6.152 -15.248 5.876 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 12.951 -13.500 7.669 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 13.720 -13.406 7.072 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 12.330 -12.797 7.370 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 10.969 -8.789 6.696 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 10.109 -8.578 6.317 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 11.578 -8.804 5.915 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 6.740 -18.896 3.985 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 6.068 -18.241 3.763 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 6.252 -19.584 4.483 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 8.469 -14.963 11.845 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 8.329 -15.120 10.903 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 8.313 -13.998 11.952 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 5.333 -20.986 5.157 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 5.845 -21.626 5.704 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 4.522 -20.827 5.681 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 7.187 -14.645 7.141 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 6.738 -13.888 7.552 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 7.914 -14.850 7.753 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.490 -9.009 4.498 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 12.067 -9.507 3.763 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 13.447 -9.093 4.322 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 15.020 -13.090 5.840 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 15.210 -12.169 6.102 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 14.311 -13.003 5.169 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 9.871 -12.820 -1.236 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 9.100 -12.210 -1.324 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 9.636 -13.581 -1.803 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 11.885 -11.933 0.343 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 11.178 -12.155 -0.309 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 12.560 -11.459 -0.182 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 10.086 -14.891 0.617 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 9.217 -14.931 1.067 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 10.019 -14.108 0.040 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 11.842 -17.509 -0.348 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.192 -18.099 -0.777 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 11.915 -16.751 -0.964 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 11.867 -15.589 -2.360 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 12.332 -15.584 -3.202 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 12.394 -14.979 -1.790 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 7.908 -17.722 -2.451 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 7.202 -18.320 -2.127 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.740 -18.190 -2.221 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 3.774 -17.025 3.797 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 2.883 -16.650 3.919 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 4.351 -16.461 4.360 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 1.435 -14.538 6.124 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 1.224 -15.256 5.489 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 0.584 -14.130 6.309 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 8.874 -12.087 14.715 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 8.943 -11.664 15.604 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 8.498 -12.971 14.901 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 11.659 -11.594 18.339 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 11.235 -12.479 18.347 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 12.082 -11.525 19.221 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 10.581 -14.117 18.222 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.370 -14.353 17.686 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 9.856 -14.667 17.835 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 7.688 -14.723 14.524 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 7.915 -14.931 13.597 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.745 -14.990 14.606 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 3.011 -13.213 21.028 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 2.564 -12.839 20.262 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 3.950 -12.914 20.928 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 5.863 -14.907 17.487 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 5.032 -14.958 17.979 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 5.595 -15.041 16.553 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 13.842 -6.206 17.765 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 14.230 -5.919 16.905 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 14.223 -5.599 18.410 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 15.855 -9.302 20.829 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 15.738 -9.041 19.884 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 14.948 -9.240 21.204 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 8.042 -12.288 12.053 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 8.785 -11.828 11.612 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.163 -12.081 13.003 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 6.905 -12.611 9.568 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 7.298 -11.782 9.228 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 7.111 -12.596 10.524 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 11.017 -11.328 13.115 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 10.280 -11.445 13.752 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 11.495 -12.186 13.143 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 15.899 -12.073 20.521 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 15.942 -12.045 19.560 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 15.886 -11.129 20.787 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 8.299 -10.251 8.958 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 8.253 -9.340 9.269 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 9.067 -10.635 9.452 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 15.316 -6.229 23.618 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.278 -7.064 24.115 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 14.513 -6.232 23.088 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 12.940 -14.644 16.971 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 13.422 -15.320 17.459 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 12.825 -15.034 16.066 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 7.533 -13.282 19.068 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 8.290 -12.985 18.543 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 6.987 -13.793 18.434 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 11.232 -11.590 6.703 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 10.273 -11.694 6.542 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 11.336 -10.637 6.894 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 6.697 -10.925 22.598 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 6.771 -11.165 23.539 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 7.346 -10.201 22.486 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 4.985 -15.386 14.851 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 4.271 -16.031 15.045 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 4.718 -14.989 13.988 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 10.164 -11.378 10.518 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 10.682 -11.211 11.333 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.551 -12.209 10.154 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 11.606 -11.695 25.799 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 11.282 -12.581 25.608 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 11.965 -11.764 26.719 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 12.240 -13.764 12.997 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 11.726 -14.183 12.289 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 12.416 -14.504 13.638 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 3.947 -8.989 25.075 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 4.848 -8.731 24.775 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 3.657 -9.639 24.418 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 3.701 -15.166 7.472 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 2.835 -14.919 7.065 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 4.264 -15.391 6.710 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 -3.776 -19.314 11.781 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 -4.290 -19.884 11.159 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 -4.178 -18.446 11.685 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 12.855 -12.118 20.798 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 13.749 -12.490 20.878 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 12.258 -12.872 21.001 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 8.583 -15.453 16.990 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 7.694 -15.535 17.381 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 8.409 -15.256 16.047 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 0.395 -17.800 13.887 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 1.060 -17.340 14.428 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 0.520 -17.421 12.985 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 4.220 -14.457 12.382 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 3.903 -14.984 11.616 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 4.123 -13.545 12.096 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 3.410 -15.872 10.140 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 3.440 -15.613 9.192 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 3.777 -16.773 10.152 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 9.213 -11.032 17.242 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 10.150 -11.069 17.537 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 8.777 -10.494 17.913 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 5.457 -12.134 20.516 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 6.222 -12.466 20.007 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 5.865 -11.643 21.268 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 15.238 -8.595 18.250 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 14.659 -7.816 18.140 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 15.304 -8.969 17.349 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 11.004 -13.833 9.632 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 11.689 -13.780 8.934 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 10.411 -14.547 9.330 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 6.920 -10.994 25.397 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 6.691 -10.052 25.263 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 6.219 -11.325 26.004 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 14.991 -9.634 15.661 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 14.366 -9.462 14.935 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 14.734 -10.517 15.992 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 0.212 -15.704 24.094 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 0.885 -15.648 24.804 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 0.736 -15.636 23.263 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 12.606 -7.403 8.442 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 12.046 -7.977 7.882 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 12.260 -6.522 8.295 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 10.774 -16.384 12.390 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 11.178 -16.208 13.258 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 9.953 -15.848 12.389 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 11.051 -14.304 20.935 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 10.241 -14.739 21.271 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 10.915 -14.272 19.968 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 13.785 -12.052 16.603 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 13.107 -11.597 17.146 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 13.592 -13.005 16.740 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 2.880 -17.181 15.437 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 2.926 -18.126 15.636 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 2.622 -16.767 16.293 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 12.579 -8.775 27.036 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 12.696 -8.780 26.070 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 13.369 -9.234 27.375 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 -0.463 -11.602 23.845 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 -0.424 -11.632 24.820 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 -1.051 -12.350 23.608 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 8.593 -8.898 22.792 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 9.083 -9.245 23.568 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 9.298 -8.517 22.216 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.026 -12.764 7.639 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 5.457 -12.724 8.520 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.431 -13.541 7.697 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 7.673 -6.747 26.559 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 7.576 -6.133 27.315 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 8.505 -7.231 26.751 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 17.913 -8.853 10.112 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 18.158 -8.280 9.367 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 18.371 -8.457 10.881 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 10.795 -8.050 21.384 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 10.932 -7.464 20.610 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 11.650 -8.507 21.487 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 13.211 -9.497 21.645 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 13.116 -9.508 22.623 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 12.965 -10.407 21.370 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 13.209 -9.663 24.390 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 12.926 -10.447 24.894 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 14.153 -9.544 24.632 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 13.363 -9.858 13.238 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 13.828 -10.718 13.345 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 12.420 -10.110 13.149 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 16.583 -10.926 11.155 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 16.198 -10.602 11.982 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 17.050 -10.137 10.781 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 15.128 -5.356 15.497 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 14.893 -5.824 14.686 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 15.992 -4.974 15.308 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 11.401 -6.664 19.065 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 10.751 -6.428 18.398 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 12.256 -6.628 18.590 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 16.276 -11.929 8.603 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 15.754 -11.319 8.047 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 16.229 -11.537 9.500 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 14.393 -12.268 13.901 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 13.730 -12.898 13.555 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 14.262 -12.291 14.870 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 -1.698 -13.909 23.146 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 -1.152 -14.624 23.535 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 -2.595 -14.310 23.057 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 2.206 -16.284 17.951 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 2.265 -17.176 18.353 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 1.572 -15.807 18.517 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 1.063 -20.851 11.276 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 0.285 -20.538 11.763 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 1.684 -21.143 11.980 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 -1.523 -18.333 20.716 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 -1.999 -17.944 19.968 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 -1.306 -19.246 20.409 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 1.027 -16.747 11.434 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 0.555 -16.983 10.606 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 1.810 -16.255 11.127 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 2.021 -23.041 9.922 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 1.521 -22.268 10.255 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 2.718 -23.170 10.574 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 0.268 -17.601 8.953 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 0.994 -18.256 8.940 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 -0.041 -17.572 8.045 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 7.207 -5.329 28.910 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 6.681 -4.522 28.878 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 6.618 -5.983 29.350 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 -4.103 -15.876 33.398 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 -4.840 -15.409 32.950 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 -3.302 -15.581 32.911 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 16.057 -15.390 35.430 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 15.157 -15.701 35.271 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 16.589 -16.210 35.484 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 4.693 -10.979 33.802 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 4.044 -10.464 34.290 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 4.772 -11.813 34.317 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 1.848 -16.807 31.808 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 2.591 -16.649 31.215 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 1.059 -16.688 31.235 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 11.256 -15.548 34.391 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 11.173 -14.921 33.642 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 10.629 -15.207 35.059 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 -0.275 -15.296 34.465 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 -0.581 -15.033 33.579 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 -0.924 -15.978 34.747 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 -1.749 -15.326 32.021 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 -1.370 -16.212 31.845 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 -1.649 -14.850 31.168 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 10.992 -18.065 35.454 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 11.224 -17.238 34.971 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 10.023 -17.987 35.599 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 5.667 -7.483 29.774 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 5.208 -7.505 28.906 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 6.455 -8.050 29.643 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 6.570 -8.321 24.609 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 7.020 -7.658 25.179 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 7.164 -8.410 23.832 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 9.438 -6.392 30.136 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 8.717 -5.877 29.720 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 10.240 -6.030 29.752 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 8.108 -8.659 29.341 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 8.566 -8.003 29.910 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 8.654 -8.684 28.526 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 2.313 -10.848 29.742 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 3.063 -10.597 30.329 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 2.533 -10.431 28.884 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.846 -8.844 24.758 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 16.380 -8.985 25.568 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 16.502 -8.796 24.048 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 -0.750 -17.907 32.500 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 0.214 -17.798 32.557 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 -1.049 -17.905 33.433 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 9.164 -18.508 39.327 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 8.286 -18.852 39.515 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 9.757 -19.028 39.918 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 9.504 -10.066 25.095 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 10.263 -10.665 25.261 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 8.712 -10.624 25.257 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 4.705 -11.540 26.969 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 4.162 -10.816 27.316 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.048 -12.199 26.666 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.364 -11.293 29.811 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 7.650 -10.369 29.652 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 6.539 -11.374 29.316 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 7.542 -12.289 32.367 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 6.726 -11.881 32.686 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 7.590 -12.015 31.421 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 -3.166 -18.383 31.226 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 -2.735 -18.594 30.366 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 -2.414 -18.261 31.840 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 -0.478 -15.829 26.981 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 -1.294 -16.359 27.006 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 -0.675 -15.122 26.354 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 3.496 -16.503 34.114 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 2.901 -16.301 34.864 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 2.889 -16.642 33.359 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 -0.159 -11.650 29.177 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 -0.619 -10.914 29.594 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 0.794 -11.503 29.416 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 4.409 -9.936 31.199 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 4.647 -10.279 32.083 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 4.858 -9.080 31.143 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 4.955 -13.211 35.403 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 5.899 -13.417 35.222 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 4.555 -14.070 35.573 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 2.497 -12.953 26.007 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 2.357 -13.924 25.950 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 2.498 -12.652 25.067 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 -0.199 -12.407 26.535 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 -0.253 -12.141 27.479 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 0.759 -12.556 26.385 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 9.814 -8.374 27.184 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 10.780 -8.409 27.351 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 9.696 -8.912 26.369 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 10.876 -16.660 38.309 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 10.226 -17.242 38.765 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 11.191 -17.193 37.569 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 16.107 -18.410 39.778 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 15.693 -18.368 40.650 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 15.412 -18.799 39.202 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 7.439 -14.019 34.548 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 8.275 -14.146 35.036 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 7.688 -13.459 33.779 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 2.223 -12.094 23.468 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 1.274 -11.858 23.394 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 2.449 -12.463 22.591 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 2.548 -9.616 27.324 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 3.030 -9.402 26.495 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 1.725 -9.125 27.251 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 4.942 -7.260 27.132 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 5.812 -7.089 26.730 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 4.477 -7.806 26.474 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 17.981 -7.814 21.888 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 18.757 -8.398 21.715 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.224 -8.299 21.497 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 1.786 -15.706 36.142 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 1.034 -15.514 35.525 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 1.808 -14.944 36.727 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 5.547 -18.983 35.794 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 5.942 -19.400 35.012 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 5.525 -18.034 35.573 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.960 -10.411 27.668 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 15.678 -9.794 27.430 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 15.427 -11.255 27.843 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 19.408 -9.633 31.842 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 20.130 -9.312 31.286 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 18.595 -9.331 31.372 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.143 -11.387 32.305 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 12.070 -10.443 32.469 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 13.101 -11.524 32.106 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 10.847 -13.774 32.282 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 9.964 -13.500 31.999 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 11.344 -12.924 32.369 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 9.409 -15.168 36.380 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 8.922 -16.013 36.283 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 9.895 -15.273 37.220 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 -2.158 -17.230 34.832 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 -2.901 -16.771 34.384 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 -2.596 -17.905 35.391 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 0.009 -16.470 29.817 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 0.778 -16.534 29.211 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 -0.453 -15.650 29.534 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 -1.410 -20.407 34.228 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 -1.389 -21.350 34.523 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 -2.264 -20.326 33.762 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 13.841 -18.439 35.938 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.968 -18.316 35.524 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 14.463 -18.512 35.182 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 6.124 -16.470 34.776 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 5.207 -16.412 34.411 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 6.522 -15.598 34.565 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 18.844 -44.797 21.384 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 18.398 -44.456 22.166 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 18.119 -45.154 20.835 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 24.294 -38.932 18.726 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 23.838 -38.931 17.854 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 24.478 -37.978 18.898 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 23.092 -41.385 18.043 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 23.581 -40.770 18.618 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 22.700 -40.803 17.362 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 27.796 -42.992 21.250 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 28.287 -43.810 21.123 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 27.359 -42.838 20.381 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 17.248 -40.628 12.244 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 17.236 -41.222 11.486 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 17.474 -39.752 11.857 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 23.681 -43.720 19.537 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 23.044 -43.947 20.244 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 23.366 -42.858 19.200 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 26.324 -42.990 18.966 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 26.474 -43.419 18.093 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 25.446 -43.323 19.247 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 24.675 -36.265 18.881 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 25.609 -36.007 19.057 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 24.339 -35.564 18.286 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 22.635 -41.685 22.200 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 22.284 -42.554 21.930 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 23.608 -41.832 22.279 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 19.211 -45.787 27.567 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 19.538 -44.890 27.319 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 18.696 -46.076 26.782 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 23.960 -38.763 13.785 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 24.824 -38.674 13.370 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 23.500 -37.917 13.568 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 22.728 -36.490 12.927 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 23.471 -35.929 12.588 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 22.060 -35.837 13.230 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 29.400 -36.313 25.240 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 28.702 -36.569 25.873 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 29.673 -37.164 24.836 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 20.962 -41.306 24.445 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 21.469 -40.838 25.134 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 21.553 -41.298 23.663 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 21.583 -44.145 21.358 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 20.628 -44.214 21.132 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 21.717 -44.841 22.011 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 17.504 -45.919 25.376 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 16.841 -45.672 26.057 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 17.025 -45.818 24.531 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 28.585 -40.922 22.959 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 27.891 -41.123 23.625 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 28.465 -41.616 22.276 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 23.487 -43.818 16.790 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 23.315 -42.865 16.949 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 23.497 -44.205 17.687 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 26.189 -44.228 16.535 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 26.382 -44.673 15.705 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 25.221 -44.084 16.511 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 22.915 -39.125 16.364 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 23.444 -39.080 15.542 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 22.075 -38.675 16.127 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 25.283 -42.268 22.467 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 26.074 -42.538 21.970 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 25.640 -41.929 23.313 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 29.773 -38.980 24.635 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 30.025 -39.547 25.367 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 29.468 -39.602 23.942 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 22.559 -44.682 14.393 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 22.938 -44.351 15.238 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 21.970 -45.391 14.661 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 22.938 -42.891 12.365 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 22.786 -43.523 13.105 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 23.305 -43.435 11.664 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 26.534 -41.294 24.748 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 26.337 -40.338 24.844 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 26.494 -41.643 25.669 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 22.313 -40.418 26.813 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 22.313 -40.186 27.769 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 22.972 -41.124 26.746 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 15.319 -48.256 23.748 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 15.577 -47.325 23.566 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 16.158 -48.725 23.819 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 20.734 -38.092 11.853 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 21.099 -38.973 12.082 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 21.480 -37.479 12.005 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 21.936 -40.397 12.813 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 22.701 -39.949 13.232 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 22.278 -41.294 12.585 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 15.035 -43.029 20.741 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 14.227 -42.683 20.322 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 15.713 -42.328 20.576 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 26.169 -38.556 24.374 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 25.422 -37.931 24.347 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 26.474 -38.607 23.437 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 27.117 -38.864 21.801 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 27.822 -39.449 22.135 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 26.892 -39.243 20.923 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 26.615 -40.238 19.457 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 25.814 -39.805 19.102 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 26.528 -41.169 19.180 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 18.212 -34.710 12.433 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 17.934 -35.438 13.025 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 17.811 -34.946 11.568 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 28.409 -40.474 35.046 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 29.359 -40.615 35.158 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 28.001 -41.027 35.746 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 17.455 -46.284 36.061 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 18.188 -46.537 35.452 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 17.762 -46.577 36.937 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 26.997 -39.791 32.790 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 27.613 -40.113 33.483 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 26.395 -39.195 33.269 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 14.792 -48.390 26.550 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 14.955 -47.480 26.832 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 14.838 -48.353 25.578 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 26.669 -36.283 35.746 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 25.950 -36.287 36.420 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 27.376 -36.836 36.147 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 29.583 -40.355 37.892 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 29.652 -40.119 38.847 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 28.816 -40.949 37.849 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 18.593 -43.792 32.103 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 19.514 -43.610 31.828 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 18.655 -43.892 33.084 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 23.453 -45.754 32.906 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 24.267 -46.043 32.451 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 23.549 -44.781 32.957 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 23.769 -40.217 34.068 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 24.247 -39.359 34.167 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 23.804 -40.397 33.102 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 24.446 -41.715 36.243 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 23.620 -42.240 36.366 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 24.249 -41.141 35.469 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 19.663 -46.432 34.477 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 20.507 -46.214 34.915 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 19.893 -46.478 33.527 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 25.703 -37.528 31.379 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 25.160 -37.558 30.563 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 26.331 -38.265 31.274 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 27.345 -43.712 29.544 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 28.290 -43.654 29.711 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 26.976 -42.894 29.956 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 26.347 -41.483 30.700 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 25.390 -41.274 30.801 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 26.784 -40.914 31.369 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 19.618 -43.752 38.165 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 19.291 -44.656 38.322 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 18.821 -43.190 38.276 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 28.305 -38.193 36.825 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 28.966 -38.717 37.325 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 28.117 -38.744 36.044 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 21.959 -43.028 36.518 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 21.234 -43.163 37.159 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 22.014 -43.887 36.040 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 20.171 -47.981 38.066 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 19.661 -47.159 38.126 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 19.921 -48.471 38.867 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 20.907 -46.316 31.932 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 21.849 -46.414 32.179 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 20.854 -46.700 31.024 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 17.095 -42.668 38.638 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.797 -43.397 39.217 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 16.265 -42.281 38.299 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 23.574 -38.341 39.179 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 24.134 -39.142 39.111 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 22.663 -38.679 39.000 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 26.640 -35.069 27.782 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 26.321 -34.733 26.916 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 27.021 -35.945 27.566 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 25.246 -37.947 34.025 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 25.686 -37.261 34.571 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 25.271 -37.579 33.111 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 20.845 -44.622 40.604 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 20.589 -44.141 39.798 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 20.865 -43.932 41.299 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 22.184 -45.513 35.358 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 22.350 -46.312 35.914 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 22.692 -45.685 34.538 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 25.666 -44.949 31.458 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 25.233 -44.108 31.653 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 26.265 -44.743 30.718 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 22.389 -47.943 36.525 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 21.578 -47.973 37.086 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 22.575 -48.864 36.332 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 20.888 -47.113 29.313 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 20.255 -46.665 28.709 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 21.469 -47.600 28.725 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 30.893 -36.423 42.637 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 30.233 -37.148 42.755 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 31.609 -36.836 42.142 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 21.167 -47.136 41.636 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 22.116 -47.195 41.766 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 21.031 -46.238 41.252 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 23.805 -43.027 32.850 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 23.808 -42.281 32.196 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 24.146 -42.628 33.662 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 24.640 -40.803 38.799 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 24.647 -41.072 37.854 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 23.981 -41.384 39.204 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 23.902 -42.354 28.394 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 23.139 -42.930 28.558 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 23.718 -41.554 28.937 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 18.150 -46.220 38.908 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 18.332 -46.928 39.564 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 17.396 -45.726 39.296 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 25.124 -41.742 44.080 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 24.557 -42.464 43.732 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 24.745 -41.543 44.941 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 15.813 -45.123 27.357 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.326 -45.103 28.191 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 15.347 -44.268 27.344 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 27.219 -41.892 37.130 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 26.294 -41.866 36.809 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 27.238 -42.642 37.735 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 26.769 -39.424 28.562 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 27.523 -39.279 29.188 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 26.654 -40.391 28.549 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 28.729 -38.910 30.356 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 29.640 -38.616 30.130 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 28.686 -38.826 31.320 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 19.974 -43.246 26.918 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 20.202 -42.553 26.279 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.389 -42.946 27.759 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 21.373 -36.855 43.049 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 21.258 -37.375 43.868 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 20.470 -36.833 42.652 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 27.274 -37.489 26.673 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 27.192 -38.216 27.325 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 26.985 -37.894 25.826 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 18.982 -48.335 40.616 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 19.778 -47.941 41.053 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.668 -48.990 41.246 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 21.171 -42.492 29.244 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 21.157 -42.880 30.145 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 21.567 -41.610 29.369 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 20.749 -42.778 42.690 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 21.103 -41.878 42.905 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 19.801 -42.699 42.847 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 26.376 -42.282 27.318 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 25.444 -42.311 27.631 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 26.827 -42.952 27.863 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 21.290 -43.598 31.760 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 21.167 -44.573 31.834 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 22.141 -43.429 32.212 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 15.248 -45.031 37.227 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 14.741 -44.902 36.403 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 16.059 -45.487 36.932 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 31.380 -38.133 30.208 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 31.501 -38.225 31.179 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 32.105 -37.568 29.932 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 18.861 -36.889 42.195 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 18.830 -37.351 41.323 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 18.108 -36.264 42.156 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 23.386 -38.283 42.032 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 22.656 -37.677 42.300 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 23.419 -38.206 41.061 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 26.498 -39.535 40.395 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 26.452 -38.618 40.052 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 25.905 -40.045 39.802 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 26.884 -37.051 39.150 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 27.578 -37.308 38.514 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 26.156 -36.721 38.588 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 24.505 -37.985 28.966 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 25.324 -38.465 28.705 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 23.842 -38.699 29.093 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 30.489 -40.639 44.505 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 29.975 -41.433 44.319 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 31.207 -40.945 45.067 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 21.615 -40.303 43.377 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 22.332 -39.766 42.997 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 21.204 -39.714 44.047 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 20.556 -38.434 45.153 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 21.088 -37.908 45.798 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 19.659 -38.048 45.213 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 26.803 -39.779 43.118 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 26.629 -39.798 42.151 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 26.261 -40.522 43.473 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 23.214 -43.686 43.625 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 22.389 -43.394 43.184 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 22.922 -44.352 44.252 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 24.035 -35.410 44.818 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 24.626 -36.090 44.436 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 24.355 -35.301 45.738 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 18.058 -37.182 44.791 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 17.095 -37.204 44.617 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 18.456 -37.060 43.901 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 25.529 -37.424 43.642 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 24.756 -37.639 43.076 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 26.085 -38.231 43.593 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 22.040 -34.169 43.367 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 21.660 -35.051 43.221 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 22.810 -34.336 43.942 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 21.628 -22.359 -0.278 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 22.601 -22.474 -0.390 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 21.331 -23.223 0.074 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 29.650 -18.191 -6.107 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 29.903 -18.886 -6.723 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 28.723 -17.982 -6.346 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.857 -24.983 0.811 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 26.081 -24.682 1.709 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 26.663 -24.797 0.288 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 24.657 -21.696 2.098 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 25.087 -22.360 2.669 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 24.527 -22.163 1.246 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 31.569 -20.858 -2.096 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 31.944 -20.387 -2.853 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 31.516 -20.171 -1.389 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 31.783 -17.464 -2.411 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 31.746 -17.882 -1.531 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 32.415 -16.713 -2.295 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 33.718 -23.352 1.757 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 34.509 -23.810 1.455 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 33.199 -23.199 0.934 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 24.236 -23.061 -0.225 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 24.858 -22.801 -0.945 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 24.618 -23.899 0.126 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 29.217 -21.896 -1.120 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 28.477 -21.439 -1.548 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 30.010 -21.583 -1.609 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 17.369 -26.702 1.489 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 16.850 -27.327 0.970 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 16.775 -26.457 2.236 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 25.006 -18.861 -7.203 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 25.819 -18.325 -7.101 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 25.190 -19.431 -7.953 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 18.587 -24.334 0.874 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 19.550 -24.492 0.814 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 18.204 -25.233 0.981 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 19.507 -21.592 1.345 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 20.279 -21.759 0.768 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 19.024 -22.439 1.346 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 30.726 -18.549 6.573 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 31.299 -18.896 5.866 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 31.152 -17.694 6.835 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 27.120 -17.199 -6.597 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 27.490 -16.343 -6.904 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 26.694 -16.982 -5.743 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 20.956 -20.158 -1.770 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 20.007 -20.279 -1.989 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 21.212 -21.007 -1.350 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 18.430 -20.792 5.546 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 17.819 -20.655 6.276 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 17.889 -21.260 4.868 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 20.904 -23.189 7.064 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.249 -23.410 7.958 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 20.076 -22.729 7.239 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 26.025 -23.819 3.390 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 26.291 -23.938 4.330 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 25.137 -24.252 3.336 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.348 -24.692 1.155 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 22.315 -24.705 1.239 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 21.036 -25.197 1.936 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 25.906 -19.348 3.204 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 25.846 -19.001 4.118 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 26.474 -20.146 3.288 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 29.548 -21.631 1.593 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 29.369 -21.700 0.628 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 30.178 -22.343 1.766 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 26.258 -22.749 -2.016 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 26.272 -23.011 -2.941 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 26.867 -23.380 -1.576 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 23.454 -19.197 -2.520 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 22.548 -19.542 -2.386 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 23.449 -18.865 -3.443 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 28.050 -24.336 -0.698 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 28.630 -25.089 -0.445 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 28.659 -23.570 -0.751 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 16.591 -22.081 4.049 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 16.507 -22.832 4.675 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 16.366 -22.477 3.172 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 28.658 -18.113 -1.282 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 27.692 -18.282 -1.416 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 28.976 -17.857 -2.161 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 16.599 -24.345 5.728 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 15.772 -24.374 6.250 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 17.176 -24.995 6.167 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 23.542 -24.863 3.195 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 23.296 -25.782 3.347 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 22.824 -24.347 3.630 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 29.327 -26.584 0.140 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 30.027 -27.053 0.605 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 28.687 -27.271 -0.082 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 21.351 -23.816 4.407 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 20.726 -24.533 4.206 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 21.216 -23.638 5.365 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 20.256 -26.224 3.199 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 19.525 -26.571 2.667 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 20.256 -26.792 4.004 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 13.381 -29.984 8.236 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 13.727 -30.824 8.607 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 12.897 -29.587 8.964 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 19.217 -18.892 1.513 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 19.272 -19.869 1.398 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 18.569 -18.774 2.217 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 31.058 -18.978 -0.236 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 30.977 -18.964 0.738 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 30.154 -18.764 -0.553 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 31.341 -20.193 4.458 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 30.611 -20.612 4.959 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 31.985 -20.920 4.322 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 27.586 -21.498 3.497 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 27.066 -22.324 3.408 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 28.237 -21.544 2.762 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 32.396 -23.102 -0.618 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 32.365 -23.800 -1.281 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 32.163 -22.290 -1.114 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 18.034 -29.391 6.876 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 18.235 -30.028 7.599 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 17.247 -29.758 6.455 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 19.707 -16.828 -0.240 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 19.409 -17.529 0.379 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 19.309 -16.008 0.114 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 25.672 -21.971 18.328 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 25.459 -22.348 17.449 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 25.025 -21.237 18.433 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 20.928 -24.171 14.700 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 20.546 -24.911 14.189 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 21.771 -24.525 15.043 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 27.726 -27.483 19.441 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 27.589 -28.356 19.860 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 27.217 -26.868 19.999 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 21.404 -29.342 15.531 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 21.278 -30.306 15.650 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 22.031 -29.275 14.803 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 25.828 -22.549 13.337 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 25.563 -22.747 14.259 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 25.189 -21.864 13.050 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 26.830 -18.741 12.608 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 26.147 -18.521 11.958 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 26.398 -18.596 13.471 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 28.373 -22.267 12.110 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 27.467 -22.256 12.485 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 28.826 -22.948 12.613 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 19.886 -22.741 16.781 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 20.741 -22.303 16.878 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 19.989 -23.282 15.964 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 21.046 -26.901 16.674 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 21.171 -27.827 16.363 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 20.165 -26.666 16.367 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 30.068 -23.867 21.818 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 31.012 -23.754 21.951 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 30.003 -24.462 21.036 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 23.836 -20.881 12.386 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 23.804 -20.342 13.208 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 22.894 -20.985 12.134 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.342 -25.296 10.884 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.260 -25.586 11.816 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 19.533 -25.642 10.459 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 29.176 -21.403 5.718 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 29.637 -22.266 5.597 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 28.501 -21.392 4.999 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 27.686 -24.467 23.077 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 27.706 -24.254 24.035 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 28.575 -24.204 22.754 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 27.315 -33.449 23.360 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 27.324 -33.146 22.427 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 28.263 -33.496 23.608 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.417 -23.107 10.791 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 24.246 -22.204 11.134 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 24.951 -23.522 11.488 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 20.677 -34.823 13.620 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 20.398 -34.748 14.553 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 19.833 -34.847 13.119 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 23.248 -28.800 23.706 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 22.269 -28.689 23.705 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 23.562 -28.132 23.064 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 24.467 -28.782 19.312 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.540 -28.931 19.096 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 24.440 -28.290 20.163 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 21.411 -32.104 15.563 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 22.229 -32.325 16.037 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 20.792 -32.820 15.810 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 23.151 -25.245 16.110 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.928 -25.813 16.219 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.402 -25.798 16.435 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 27.160 -32.675 20.710 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 26.211 -32.880 20.553 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 27.235 -31.722 20.502 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 18.221 -31.509 8.791 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.088 -32.448 8.577 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 18.301 -31.497 9.764 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 26.016 -27.891 17.201 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 26.841 -27.720 17.684 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 25.424 -28.271 17.872 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 24.561 -22.835 15.887 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 24.012 -23.645 15.929 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 23.961 -22.121 16.208 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 26.433 -25.478 20.944 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 26.851 -24.894 20.276 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 26.854 -25.201 21.799 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 25.375 -24.077 8.353 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 24.808 -24.849 8.440 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 25.180 -23.547 9.154 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 29.558 -20.734 10.156 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 29.169 -21.271 10.885 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 30.206 -20.154 10.604 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 19.633 -26.296 13.378 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 18.834 -25.700 13.488 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 19.321 -27.160 13.674 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 17.940 -26.613 10.206 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 17.211 -26.044 10.543 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 17.978 -27.344 10.836 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 21.294 -21.519 11.530 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 21.335 -22.225 10.859 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.693 -21.866 12.205 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 25.115 -22.632 21.006 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 25.289 -22.520 20.052 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 25.327 -23.559 21.179 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 26.742 -23.652 6.051 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 27.667 -23.649 6.325 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 26.245 -23.856 6.881 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 31.115 -18.649 11.227 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 31.938 -18.249 11.572 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 30.520 -18.683 12.012 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 30.528 -23.623 4.987 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 30.627 -24.574 4.879 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 31.402 -23.259 4.727 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 22.186 -19.698 9.643 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 21.805 -20.305 10.309 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 22.386 -18.889 10.149 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 15.959 -25.107 11.441 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 15.493 -25.705 12.052 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 16.628 -24.672 12.012 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 26.704 -29.915 20.494 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.285 -30.107 21.366 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 25.950 -29.680 19.915 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 23.131 -32.683 10.961 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 22.421 -32.375 11.558 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 22.793 -32.508 10.081 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.309 -30.378 22.782 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 24.594 -29.843 23.184 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 25.184 -31.268 23.171 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 26.830 -33.405 12.964 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 27.595 -33.043 12.506 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 26.906 -33.067 13.862 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 22.532 -17.570 11.627 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 23.440 -17.429 11.308 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 22.574 -17.343 12.577 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.069 -32.222 12.751 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.211 -31.855 13.642 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 21.054 -33.192 12.896 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 23.467 -21.232 7.738 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 23.103 -20.576 8.376 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 22.983 -22.044 7.935 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 17.252 -26.729 7.493 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 17.523 -26.629 8.431 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 17.555 -27.627 7.253 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.939 -23.521 9.606 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.429 -24.229 10.074 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 22.811 -23.515 10.057 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 22.575 -22.014 24.009 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.971 -21.470 23.297 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 21.787 -22.389 23.607 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 24.978 -21.589 5.427 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 25.562 -22.344 5.624 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.442 -21.481 6.241 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 20.030 -27.780 5.501 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 19.328 -28.390 5.803 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 20.608 -27.691 6.264 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.814 -32.415 28.033 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 26.132 -33.319 28.218 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 26.385 -32.111 27.294 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.768 -27.534 21.716 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.241 -26.701 21.488 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 25.437 -28.068 22.172 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 27.592 -32.175 25.918 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 27.177 -32.305 25.049 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 28.440 -32.642 25.843 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 24.619 -33.675 20.393 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.861 -33.643 21.014 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.841 -34.621 20.337 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.300 -32.648 23.985 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 23.789 -33.133 23.314 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 24.803 -33.346 24.458 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 29.755 -33.712 24.572 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 29.602 -34.662 24.807 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 30.711 -33.616 24.593 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 29.425 -18.662 13.316 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 29.328 -17.829 13.824 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 28.518 -18.836 12.965 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.534 -19.064 26.603 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.634 -20.034 26.640 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.652 -18.777 27.527 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 27.671 -23.507 19.384 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 27.047 -22.953 18.863 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 28.086 -22.883 19.995 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 29.666 -25.382 19.581 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 29.295 -26.269 19.419 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.977 -24.772 19.253 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 23.625 -33.886 17.839 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 24.153 -33.572 18.597 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.722 -33.570 18.033 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 20.848 -37.999 14.978 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 20.918 -37.527 14.138 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 20.295 -38.777 14.768 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 27.059 -35.320 19.796 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 27.376 -34.429 20.047 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 27.643 -35.924 20.272 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 18.526 -32.120 11.615 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 18.347 -33.042 11.905 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 19.448 -31.956 11.901 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 24.557 -34.686 12.134 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 25.397 -34.276 12.433 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 24.091 -33.959 11.665 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 30.634 -19.557 15.668 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 30.087 -19.129 16.355 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 30.126 -19.423 14.840 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 25.698 -34.645 25.225 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 26.377 -34.464 24.536 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 25.279 -35.485 24.939 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 25.119 -27.479 36.904 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 24.411 -28.157 36.877 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 24.642 -26.643 36.882 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 22.496 -28.321 39.837 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 23.055 -27.972 40.558 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 22.504 -27.616 39.173 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 16.962 -25.272 32.427 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 16.401 -26.015 32.091 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 17.808 -25.704 32.658 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 31.802 -30.160 39.646 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 32.104 -30.296 38.744 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 30.916 -29.749 39.544 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 19.985 -32.939 34.115 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 19.543 -33.151 34.960 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 19.517 -32.146 33.790 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 26.823 -33.495 35.779 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.793 -34.457 35.622 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 26.247 -33.123 35.095 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 19.707 -30.230 33.329 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 20.237 -29.777 32.642 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 18.864 -29.758 33.325 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 22.245 -25.734 37.001 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 21.323 -25.495 37.263 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 22.771 -25.578 37.821 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 19.686 -25.204 37.645 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 19.279 -24.973 36.792 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 19.093 -25.898 38.019 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 23.551 -29.882 30.030 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.307 -28.940 29.947 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 23.502 -30.058 30.991 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 23.947 -34.763 28.889 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 24.635 -35.379 28.592 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 24.362 -34.287 29.649 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 31.358 -30.905 42.205 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 31.677 -30.633 41.311 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 31.417 -31.882 42.194 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 21.102 -28.477 31.543 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 20.208 -28.274 31.188 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 21.710 -27.969 30.961 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 21.374 -27.449 34.979 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 21.608 -28.369 35.177 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 21.706 -26.948 35.752 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 19.274 -22.756 39.818 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 19.406 -22.369 38.925 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 18.668 -23.496 39.668 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 26.793 -24.173 28.269 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 26.869 -24.135 29.243 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.351 -25.025 28.104 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 19.017 -27.366 41.589 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 19.935 -27.601 41.819 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 18.475 -27.818 42.285 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 14.204 -25.210 37.065 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 14.845 -24.625 36.629 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 13.944 -25.841 36.364 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 15.026 -21.284 34.763 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 15.837 -21.741 34.501 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 15.177 -20.353 34.485 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 23.714 -18.425 29.424 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 22.732 -18.422 29.404 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 23.930 -18.259 30.364 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 18.474 -22.980 31.888 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 17.800 -23.684 31.993 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 18.039 -22.177 32.245 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 30.969 -33.660 42.256 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 30.398 -33.495 41.473 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 30.918 -34.629 42.385 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 18.158 -27.020 38.952 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 18.498 -27.288 39.830 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 17.197 -26.995 39.066 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 28.652 -30.670 41.797 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 28.127 -30.562 42.617 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 29.584 -30.691 42.108 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.732 -33.184 31.893 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.730 -34.144 31.720 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 21.043 -33.063 32.566 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 21.798 -30.702 35.160 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 22.048 -31.649 35.238 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 20.985 -30.712 34.610 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 29.219 -29.872 36.727 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.616 -29.199 36.394 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 29.281 -29.682 37.683 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 29.211 -29.279 39.447 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 28.816 -29.639 40.268 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 28.567 -28.601 39.146 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 22.473 -33.430 35.214 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 22.442 -34.228 35.768 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 21.620 -33.438 34.732 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 28.810 -32.501 37.499 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 28.144 -32.887 36.890 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 29.029 -31.636 37.094 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 21.398 -28.274 42.999 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.470 -27.349 43.301 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 20.861 -28.712 43.698 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 27.659 -27.547 37.975 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.738 -27.662 37.645 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 27.886 -26.649 37.722 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 22.837 -29.035 37.073 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 22.634 -29.289 37.988 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 22.537 -29.798 36.536 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 22.946 -27.135 29.924 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 22.635 -26.200 29.964 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.883 -27.056 29.643 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.050 -33.260 30.799 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 24.817 -33.067 31.734 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.651 -32.547 30.552 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 23.360 -25.427 39.409 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 23.897 -25.868 40.101 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 22.643 -24.985 39.910 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 25.627 -26.634 29.434 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 25.747 -25.901 30.081 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 26.304 -27.275 29.675 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 19.358 -26.420 33.358 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 19.391 -26.929 32.527 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 20.070 -26.818 33.910 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 26.027 -24.445 30.970 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 25.987 -24.348 31.950 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 25.410 -23.756 30.641 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 25.363 -23.824 33.531 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 24.667 -24.390 33.921 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 25.063 -22.924 33.715 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 23.074 -29.993 32.781 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 22.396 -29.362 32.463 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 22.820 -30.164 33.708 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 20.974 -18.661 29.640 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 20.875 -19.323 30.358 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 20.265 -18.871 29.026 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 18.991 -24.239 35.033 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 19.221 -24.951 34.395 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 18.021 -24.317 35.135 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 23.781 -21.848 26.482 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 23.382 -22.584 26.960 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.411 -21.926 25.568 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 22.531 -24.435 29.990 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.215 -23.738 30.013 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 21.687 -23.942 29.935 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 27.098 -34.655 40.564 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 27.167 -35.582 40.258 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 27.956 -34.254 40.312 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 24.485 -32.439 33.379 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 24.039 -31.626 33.072 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 23.838 -32.851 33.983 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 24.441 -22.367 30.068 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.149 -21.723 30.753 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.947 -21.822 29.430 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 20.172 -22.982 29.799 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.583 -23.014 29.035 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.564 -23.080 30.574 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 29.231 -32.953 40.169 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 29.009 -32.072 40.529 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 29.191 -32.828 39.188 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 18.555 -27.712 30.936 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 18.489 -27.374 30.013 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 17.620 -27.700 31.263 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.017 -21.332 28.013 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.321 -21.424 27.327 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 26.467 -22.196 28.012 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 21.080 -24.643 40.813 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 20.471 -25.317 40.481 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 20.626 -23.796 40.617 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 27.827 -23.677 25.721 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 27.521 -23.949 26.610 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 28.052 -22.749 25.822 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 23.051 -30.869 25.575 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 23.490 -31.533 24.996 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.173 -30.023 25.101 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 24.206 -26.899 41.577 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 24.487 -27.677 42.098 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 23.712 -26.345 42.222 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 21.499 -30.695 40.831 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 21.823 -29.836 40.478 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 20.747 -30.454 41.382 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 29.588 -33.073 46.497 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 29.829 -33.951 46.119 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 30.335 -32.501 46.251 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 31.473 -30.134 44.806 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 31.488 -30.162 43.826 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 31.812 -31.012 45.070 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 27.181 -33.083 45.160 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 27.178 -34.019 44.864 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 28.023 -32.995 45.657 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 26.253 -18.448 28.177 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 25.419 -18.313 28.669 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 26.331 -19.418 28.107 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 16.272 -24.871 35.011 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 16.480 -24.829 34.051 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 15.662 -25.629 35.083 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 17.642 -24.903 41.162 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 16.900 -25.208 40.601 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 18.075 -25.728 41.457 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 18.798 -19.174 39.206 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 18.721 -20.007 38.719 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 17.872 -18.892 39.351 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 20.373 -21.848 34.038 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.835 -22.659 34.138 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 20.323 -21.644 33.081 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 19.856 -19.524 35.372 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.587 -18.884 35.200 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 20.146 -20.342 34.915 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 23.039 -24.868 34.590 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.606 -25.550 34.055 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 22.798 -25.102 35.516 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 24.659 -36.482 37.540 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 23.883 -36.060 37.120 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 24.265 -37.145 38.153 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 31.438 -38.139 32.925 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 30.531 -37.760 32.983 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 31.790 -38.047 33.813 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 28.923 -37.044 32.914 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 28.408 -36.616 33.610 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.651 -36.573 32.092 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 27.722 -35.742 30.825 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 27.591 -35.342 29.954 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 26.891 -36.224 30.995 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 29.227 -39.594 40.474 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 28.247 -39.610 40.465 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.449 -39.233 41.352 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 13.839 -29.878 46.049 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 14.575 -29.753 45.403 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 14.024 -30.746 46.446 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 15.298 -26.465 47.499 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 14.346 -26.655 47.396 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 15.426 -25.616 47.021 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 19.023 -30.245 47.399 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 18.172 -29.770 47.297 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 19.522 -29.707 48.035 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.837 -30.694 43.926 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 26.299 -30.147 44.527 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.948 -31.545 44.411 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 28.346 -28.560 48.644 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 28.954 -28.015 49.146 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 28.799 -28.695 47.779 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 20.560 -28.227 48.722 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 19.735 -27.684 48.685 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 20.977 -27.964 49.548 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 29.526 -28.863 46.222 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 30.316 -29.321 45.850 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 29.099 -28.474 45.455 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.371 -30.373 48.241 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.873 -29.975 47.507 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 27.022 -29.678 48.496 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 15.576 -32.176 45.884 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 16.090 -32.945 45.543 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 15.924 -31.410 45.371 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 24.712 -29.664 45.828 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 24.615 -30.642 45.947 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 23.855 -29.297 46.161 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 19.865 -29.156 45.058 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 19.612 -29.770 45.787 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 19.017 -29.014 44.561 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 29.325 -38.625 43.080 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 28.386 -38.892 43.182 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 29.816 -39.272 43.635 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 31.985 -32.835 45.014 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 32.605 -33.512 45.300 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 31.596 -33.196 44.194 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 20.204 -26.099 44.488 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 19.277 -25.819 44.358 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 20.146 -26.805 45.147 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.636 -32.786 48.381 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 28.446 -32.764 47.823 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 27.305 -31.857 48.356 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.939 -33.088 48.908 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.629 -32.278 49.332 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.913 -32.987 48.886 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.391 -35.472 47.757 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 28.084 -35.848 48.310 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.442 -34.506 47.934 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.741 -32.310 46.221 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.529 -32.734 45.830 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 24.695 -32.674 47.122 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 17.334 -26.016 44.230 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 16.503 -25.835 43.744 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 17.440 -26.994 44.161 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 22.386 -25.489 43.092 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.000 -25.011 42.330 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 21.644 -25.545 43.738 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 22.210 -28.847 46.529 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 21.758 -28.611 47.362 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 21.481 -29.077 45.922 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.055 -29.150 43.189 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 23.099 -28.926 43.156 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.254 -29.213 44.148 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 17.596 -22.373 42.117 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 18.238 -21.975 41.503 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 17.637 -23.337 41.905 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 30.074 -35.350 45.079 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 30.490 -35.731 44.284 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 29.122 -35.566 44.976 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 27.387 -35.798 44.913 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 27.209 -35.979 45.855 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.754 -36.376 44.432 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 16.600 -35.262 42.328 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 16.001 -35.889 41.884 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 16.846 -34.623 41.623 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 16.842 -34.373 44.896 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 17.608 -34.899 45.151 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 16.658 -34.652 43.973 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.229 -36.728 46.415 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.842 -36.537 47.140 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 22.581 -36.208 45.667 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 24.638 -35.432 47.506 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.576 -35.650 47.673 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.472 -34.650 48.075 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 23.972 -10.127 -0.476 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 23.756 -9.948 0.469 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 23.231 -9.721 -0.971 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.337 -11.063 2.535 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 18.767 -10.276 2.683 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 20.173 -10.694 2.224 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 28.597 -10.704 -2.469 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 27.800 -10.190 -2.194 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 29.303 -10.032 -2.533 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.460 -10.123 2.219 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 23.782 -9.705 3.036 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.744 -11.056 2.303 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 32.102 -15.684 0.952 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 31.277 -16.160 0.780 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 31.953 -14.795 0.563 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 21.209 -15.462 -2.017 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 20.614 -16.020 -1.462 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 21.157 -15.875 -2.910 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 28.353 -13.374 -2.263 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 28.286 -12.415 -2.484 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 28.233 -13.829 -3.127 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 19.018 -12.844 -1.896 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 19.140 -13.381 -1.077 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 19.064 -13.495 -2.614 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 21.658 -12.259 -2.787 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 21.675 -12.760 -3.642 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.785 -12.467 -2.412 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 19.061 -8.471 0.510 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 18.982 -9.030 -0.289 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 19.841 -7.931 0.345 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 19.213 -14.205 0.447 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 20.137 -14.037 0.728 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 18.668 -13.824 1.170 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 17.745 -8.868 2.922 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 18.135 -8.299 3.623 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 18.116 -8.510 2.084 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 31.028 -9.290 -2.187 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 30.654 -8.376 -2.157 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 31.808 -9.208 -2.774 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 31.127 -7.860 3.970 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 30.292 -7.785 4.463 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 31.674 -7.118 4.311 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.880 -12.708 -1.294 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.134 -12.555 -1.920 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.092 -11.807 -0.955 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 26.489 -9.344 -1.404 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 25.629 -9.714 -1.122 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 26.290 -8.398 -1.583 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 21.727 -9.579 -2.133 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 20.772 -9.580 -1.924 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.884 -10.467 -2.520 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 29.879 -6.837 -2.146 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 29.973 -6.398 -1.269 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 29.319 -6.239 -2.649 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 15.228 -9.522 3.961 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 15.079 -10.303 3.392 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 16.062 -9.134 3.618 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 32.828 -5.858 4.645 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 33.050 -5.573 5.558 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 33.656 -6.255 4.310 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 22.897 -7.225 -2.901 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 22.468 -8.063 -2.625 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 22.592 -7.088 -3.803 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 21.308 -13.852 -4.937 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.307 -14.818 -4.772 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 21.764 -13.762 -5.802 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 28.043 -14.836 -4.560 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 28.851 -15.387 -4.440 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.045 -14.618 -5.514 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.929 -13.986 0.307 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 21.660 -14.477 -0.500 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 22.671 -13.426 0.005 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.846 -15.127 -2.865 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 24.038 -14.327 -2.352 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 22.910 -15.315 -2.671 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 18.577 -7.452 5.188 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 18.828 -7.572 6.122 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 18.078 -6.631 5.182 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.408 -16.576 -4.519 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 20.838 -16.921 -5.243 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 22.255 -17.065 -4.632 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 28.651 -5.241 4.287 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 29.474 -4.942 3.833 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.098 -4.456 4.312 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 30.952 -14.164 -6.918 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 31.260 -14.166 -5.987 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 31.743 -14.366 -7.430 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 14.809 -11.794 2.379 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 14.083 -12.157 2.921 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 14.375 -11.528 1.544 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 23.510 -12.196 6.763 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 24.303 -12.781 6.742 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 23.834 -11.370 7.177 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 30.174 -5.613 0.285 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 31.061 -5.197 0.324 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 29.775 -5.394 1.136 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 32.478 -7.939 1.536 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 32.006 -7.807 2.385 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 33.086 -7.172 1.478 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 25.350 -6.901 -1.764 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 25.334 -5.997 -1.443 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 24.474 -7.018 -2.199 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 28.339 -14.814 -7.314 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 29.292 -14.590 -7.177 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 28.154 -14.509 -8.208 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 22.727 -13.981 -7.320 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 23.478 -14.575 -7.422 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 22.483 -13.746 -8.221 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 25.866 -16.438 -4.078 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 25.121 -15.945 -3.646 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 26.600 -15.786 -4.100 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 30.974 -4.547 3.066 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 31.492 -4.282 2.282 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 31.646 -4.903 3.685 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 19.038 -7.067 8.088 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 18.755 -6.159 8.234 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.800 -7.182 8.693 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.650 -9.975 4.864 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.536 -10.935 4.915 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.383 -9.659 5.745 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 29.880 -10.009 6.131 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 29.418 -9.149 6.024 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 29.379 -10.621 5.550 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 15.187 -10.380 6.543 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 15.247 -10.047 5.618 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 14.703 -9.685 7.010 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.808 -8.655 3.722 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 27.324 -8.284 4.459 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 26.025 -9.060 4.154 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 32.425 -8.912 6.864 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 31.514 -9.196 6.631 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 32.300 -8.320 7.633 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 33.104 -9.409 -4.045 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 32.753 -10.151 -4.596 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 33.273 -8.704 -4.681 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 33.066 -10.200 0.149 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 33.148 -9.313 0.558 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 33.714 -10.184 -0.588 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 32.571 -4.326 0.801 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 33.317 -4.927 1.038 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 32.999 -3.584 0.361 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 32.068 -11.426 -5.551 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 32.049 -12.255 -5.033 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 31.492 -11.605 -6.304 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 31.626 -13.834 -4.261 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 31.120 -14.665 -4.119 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 31.428 -13.293 -3.462 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 29.602 -17.384 9.328 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 30.232 -17.753 9.987 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 29.778 -16.419 9.340 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 30.328 -16.261 -4.317 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 30.859 -16.707 -3.615 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 30.196 -16.965 -4.996 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 16.411 -12.720 -0.644 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 17.179 -12.833 -1.230 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 16.764 -12.907 0.250 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 19.007 -10.016 -1.831 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 18.421 -9.828 -2.573 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 19.004 -10.995 -1.766 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 17.379 -12.864 1.984 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 16.495 -12.543 2.269 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 17.996 -12.144 2.251 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 30.075 -19.014 2.347 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 30.616 -19.218 3.141 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 29.727 -19.889 2.067 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 26.142 -14.293 -0.935 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.407 -13.664 -1.048 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 26.862 -13.921 -1.476 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 29.028 -14.166 0.346 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 28.822 -14.004 -0.600 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 29.096 -15.140 0.414 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 29.304 -16.763 1.035 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.935 -17.177 0.223 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 29.525 -17.531 1.611 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 20.167 -17.644 -6.712 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 20.326 -18.574 -6.907 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 19.567 -17.353 -7.404 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 23.740 -17.972 -4.951 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 24.522 -17.453 -4.679 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 24.016 -18.391 -5.798 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 26.047 -18.385 -2.017 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 25.173 -18.833 -2.080 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 26.012 -17.702 -2.714 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 31.616 -9.788 22.960 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 32.379 -9.465 23.455 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 31.017 -9.009 22.905 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 21.312 -7.631 14.087 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 21.798 -6.848 14.440 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 22.011 -8.190 13.694 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 18.163 -13.175 10.886 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 17.606 -12.366 10.851 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 18.208 -13.387 11.825 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 16.960 -8.668 13.826 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 16.506 -9.014 14.617 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 16.234 -8.318 13.265 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 31.601 -12.495 18.363 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 32.412 -12.024 18.150 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 31.454 -12.299 19.315 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 26.984 -15.727 14.734 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.489 -16.572 14.810 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 27.916 -15.986 14.914 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 22.061 -11.591 16.741 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 21.234 -12.123 16.673 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.744 -10.657 16.761 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.564 -6.788 17.603 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 23.389 -6.454 18.512 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 24.390 -7.276 17.686 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 28.743 -15.487 18.261 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 27.992 -14.938 18.563 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 29.234 -14.904 17.650 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 22.691 -5.620 15.263 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 23.034 -6.030 16.088 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 22.802 -4.676 15.405 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 22.851 -9.570 12.776 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.465 -9.858 13.496 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 22.164 -10.248 12.772 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 25.923 -13.518 6.858 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 26.415 -14.208 6.370 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 26.605 -13.054 7.355 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 26.369 -13.206 21.864 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 27.222 -13.673 21.996 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.559 -12.278 22.125 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.012 -10.642 14.981 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.818 -10.941 15.420 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 23.293 -10.957 15.568 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 19.749 -13.020 16.737 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 19.007 -12.989 16.128 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 19.512 -13.729 17.370 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 25.369 -6.564 21.703 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 24.592 -6.506 21.108 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 25.115 -6.041 22.471 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 27.797 -7.088 8.091 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 26.860 -7.210 8.358 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 28.202 -6.661 8.849 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 22.687 -3.621 21.499 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 21.802 -3.730 21.905 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 22.861 -2.678 21.563 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 20.642 -14.207 10.161 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.821 -13.734 10.402 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.524 -15.100 10.555 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 14.933 -7.930 12.174 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 14.660 -7.745 11.267 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 14.249 -8.555 12.508 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 25.801 -18.051 20.112 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 25.589 -18.951 19.818 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 24.954 -17.574 20.042 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 28.668 -14.681 21.960 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 29.295 -14.810 21.233 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 29.236 -14.465 22.734 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 19.980 -16.727 10.940 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 19.878 -17.020 10.013 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.807 -17.162 11.242 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 25.786 -12.507 17.088 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 26.162 -13.085 17.784 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 26.573 -12.071 16.690 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 24.460 -14.924 15.669 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 25.355 -15.143 15.344 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 24.556 -14.033 16.041 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 31.206 -11.712 20.998 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 30.300 -11.806 21.312 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 31.591 -11.031 21.586 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 22.759 -16.917 14.591 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 23.295 -16.164 14.926 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 21.991 -16.948 15.190 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 23.663 -12.320 18.854 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 22.942 -12.095 18.229 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 24.466 -12.306 18.298 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 23.110 -5.985 20.197 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 22.220 -6.321 20.440 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 23.112 -5.061 20.539 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 28.160 -11.716 16.040 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 28.997 -11.812 16.508 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 28.295 -12.207 15.206 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.576 -8.927 16.594 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 22.081 -8.253 17.074 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 21.296 -8.478 15.775 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 30.239 -12.385 7.683 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 31.159 -12.132 7.905 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 29.861 -11.580 7.294 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 20.765 -7.183 10.297 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 21.164 -6.394 10.684 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 20.201 -7.546 11.022 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 33.386 -5.344 7.315 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 33.056 -5.938 8.027 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 33.392 -4.468 7.721 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 32.777 -7.258 9.197 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 33.429 -7.990 9.332 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 32.386 -7.129 10.070 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 20.568 -6.300 21.179 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 20.315 -5.393 21.424 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 19.725 -6.782 21.144 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 19.193 -7.908 12.403 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 18.401 -8.200 12.917 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 19.884 -7.769 13.092 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 26.504 -14.104 19.231 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.970 -14.904 19.324 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 26.381 -13.634 20.084 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 24.229 -9.702 7.723 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 25.020 -9.150 7.818 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.688 -9.474 8.505 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 27.459 -8.270 21.396 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 26.711 -7.639 21.555 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 27.400 -8.471 20.455 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 28.730 -7.591 5.589 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 28.388 -7.401 6.498 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 28.639 -6.725 5.115 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 23.175 -8.678 10.159 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 22.286 -8.272 10.114 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.229 -9.027 11.078 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 22.178 -14.828 7.987 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 23.097 -14.698 8.244 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 21.668 -14.631 8.805 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 24.049 -10.380 22.763 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 23.876 -11.182 22.227 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.017 -10.377 22.880 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 23.502 -12.757 21.513 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 22.548 -12.993 21.486 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 23.730 -12.588 20.567 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 30.125 -13.904 24.155 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 31.021 -14.232 24.300 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 29.625 -14.206 24.957 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 29.748 -7.761 22.868 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 28.911 -7.971 22.393 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 29.958 -6.862 22.589 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 23.647 -20.523 21.870 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 23.550 -20.147 20.976 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 24.272 -21.275 21.742 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 26.301 -16.277 22.224 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 26.312 -17.030 21.597 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 27.170 -15.849 22.101 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 28.869 -14.841 26.356 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 28.196 -15.534 26.154 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 28.838 -14.759 27.314 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.466 -18.290 23.878 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.629 -19.133 23.417 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 23.475 -18.531 24.832 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 22.654 -16.376 22.113 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 22.836 -17.094 22.769 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 23.015 -16.725 21.270 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 25.195 -7.251 8.950 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 24.683 -6.470 8.715 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.592 -7.768 9.527 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 32.799 -11.516 7.940 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 33.489 -11.650 8.624 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 32.863 -10.567 7.721 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 29.239 -13.511 11.361 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 29.209 -13.685 12.326 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 28.947 -12.600 11.278 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 28.801 -13.628 14.112 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 29.416 -13.840 14.846 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 28.068 -14.265 14.224 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 30.120 -14.721 9.076 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 30.071 -13.937 8.484 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 29.851 -14.369 9.956 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 17.860 -5.346 23.008 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 16.920 -5.319 23.282 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 17.964 -6.244 22.622 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 20.218 -4.017 22.772 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 19.285 -4.344 22.793 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.406 -3.790 23.689 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 23.622 -19.533 14.768 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 23.333 -19.997 15.595 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 23.097 -18.704 14.760 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 29.108 -18.088 17.518 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 28.716 -18.654 18.194 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 28.995 -17.173 17.877 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 29.489 -16.631 15.147 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 29.468 -17.109 15.999 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 30.413 -16.303 15.076 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 25.969 -18.228 15.170 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 26.429 -18.761 15.829 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.094 -18.669 15.073 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 18.407 -12.351 34.930 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 18.272 -12.542 35.879 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 19.190 -11.757 34.911 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 17.266 -11.463 32.596 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 17.551 -11.621 33.517 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 17.876 -10.777 32.272 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 24.761 -11.583 34.571 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 25.075 -12.470 34.846 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 25.373 -11.326 33.846 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 19.470 -15.221 35.627 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 18.978 -14.784 36.354 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.079 -16.122 35.583 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 17.386 -9.188 27.038 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 17.946 -8.402 26.850 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 17.948 -9.749 27.595 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 23.102 -22.131 34.294 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 22.159 -21.879 34.371 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 23.102 -23.098 34.461 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 24.062 -12.839 29.176 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 25.013 -12.919 29.375 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 23.776 -12.065 29.692 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 26.897 -10.652 22.689 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 27.048 -9.769 22.291 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 27.762 -10.880 23.098 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 22.605 -11.975 33.023 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 22.312 -12.847 33.362 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 23.402 -11.767 33.560 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 22.262 -11.828 36.047 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.655 -11.173 35.659 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 23.150 -11.505 35.808 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 29.720 -12.297 28.987 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 30.370 -12.859 28.553 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 29.871 -11.404 28.588 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 29.415 -11.320 23.570 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 30.285 -10.900 23.396 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 29.642 -12.236 23.846 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.735 -14.097 34.646 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 21.936 -13.405 35.319 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.968 -14.586 35.028 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 26.175 -11.251 32.220 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.147 -11.181 32.227 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 25.983 -11.771 31.421 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 17.573 -13.976 37.177 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 17.294 -14.407 38.012 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 16.912 -14.287 36.520 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 23.683 -15.795 33.753 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 24.450 -15.305 34.109 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 22.914 -15.225 33.982 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 25.471 -14.153 35.261 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 24.838 -14.412 35.978 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 26.339 -14.267 35.662 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 23.763 -14.996 37.156 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 23.529 -15.945 37.230 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.122 -14.548 37.719 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 22.603 -8.409 26.463 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 23.288 -7.786 26.718 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 22.320 -8.816 27.312 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 28.902 -11.714 31.551 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 29.657 -11.395 32.057 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 29.275 -11.918 30.664 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 26.792 -12.653 29.820 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 27.498 -12.561 30.481 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 27.252 -12.573 28.974 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 20.466 -10.700 34.129 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 21.221 -11.101 33.649 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 20.003 -10.171 33.441 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.570 -10.654 30.823 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 24.383 -10.325 31.238 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.107 -11.128 31.550 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 16.206 -15.743 38.902 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 16.387 -16.652 39.210 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 15.268 -15.747 38.695 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 29.574 -9.152 25.337 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.304 -9.952 24.852 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 29.604 -8.460 24.653 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 19.572 -8.051 28.899 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 19.495 -7.545 28.066 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 20.486 -8.399 28.885 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 24.391 -17.873 32.071 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 25.285 -17.581 31.863 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.031 -17.156 32.640 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 23.586 -20.639 32.043 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 23.546 -21.034 32.944 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.844 -19.707 32.200 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 20.613 -6.590 24.329 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.614 -6.096 23.499 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 21.117 -7.405 24.122 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 17.371 -8.929 30.268 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 18.063 -8.518 29.703 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 16.550 -8.763 29.796 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 22.043 -8.884 23.843 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 22.295 -8.746 24.789 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 22.823 -9.341 23.451 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 30.255 -9.882 27.903 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 29.976 -9.640 26.990 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 30.575 -9.057 28.277 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.951 -9.478 28.894 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 21.304 -10.213 28.783 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.599 -9.827 29.546 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 23.129 -17.712 37.353 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 23.692 -18.461 37.585 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 22.373 -17.775 37.990 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 21.251 -17.959 39.268 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 20.366 -18.373 39.132 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 21.248 -17.702 40.192 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 18.914 -6.987 26.410 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.362 -6.213 26.243 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 19.615 -6.933 25.715 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 14.733 -11.902 31.753 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 14.874 -12.855 31.923 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 15.610 -11.500 31.931 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 15.556 -14.509 32.028 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 15.352 -14.627 31.073 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 15.709 -15.427 32.354 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 17.949 -17.465 35.269 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 18.510 -18.249 35.444 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 17.305 -17.777 34.594 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 22.036 -17.907 34.800 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.554 -17.287 34.261 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 22.424 -17.826 35.695 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 20.893 -20.795 31.409 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.742 -21.576 30.841 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.860 -20.802 31.576 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 26.950 -16.776 26.106 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 26.563 -17.335 25.423 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 26.742 -17.249 26.946 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 31.670 -16.133 7.291 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 32.343 -15.435 7.150 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 31.069 -15.749 7.962 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 34.634 -16.711 6.894 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 34.339 -15.800 7.084 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 34.145 -17.252 7.522 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 32.878 -22.494 4.176 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 33.672 -22.633 4.705 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 33.154 -22.746 3.258 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 33.959 -17.374 15.995 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 33.750 -18.257 15.623 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 34.566 -17.560 16.718 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 33.137 -19.658 14.708 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 32.232 -19.608 15.109 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 33.272 -20.600 14.551 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 36.447 -9.793 3.133 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 37.187 -10.076 3.714 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 36.669 -10.168 2.272 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 31.092 -12.073 -2.213 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 30.123 -12.075 -2.308 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 31.323 -11.120 -2.170 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 35.658 -7.716 -0.403 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 36.500 -7.498 -0.814 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 35.329 -8.482 -0.922 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 34.820 -9.875 -1.927 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 34.249 -9.757 -2.719 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 35.390 -10.641 -2.153 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 38.901 -11.757 -1.063 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 38.830 -11.700 -0.080 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 39.835 -11.617 -1.239 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 36.571 -12.040 -2.395 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 36.896 -12.379 -3.236 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 37.392 -11.894 -1.861 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 39.633 -10.845 6.986 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 40.578 -10.924 7.162 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 39.341 -10.117 7.575 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 36.505 -9.345 7.652 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 37.392 -9.032 7.937 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 36.148 -8.601 7.121 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 34.879 -7.485 6.494 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 34.639 -6.592 6.812 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 34.068 -8.011 6.633 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 35.021 -7.553 3.779 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 35.209 -7.535 4.740 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 35.551 -8.317 3.447 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 38.852 -11.577 1.644 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 39.126 -10.897 2.279 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 38.760 -12.385 2.189 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 33.253 -15.196 -2.384 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 33.777 -14.569 -1.843 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 33.059 -14.704 -3.196 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 38.986 -8.752 8.681 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 39.929 -8.480 8.558 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 38.814 -8.584 9.614 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 36.221 -14.683 3.356 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 35.836 -14.728 2.456 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 35.993 -15.559 3.753 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 37.029 -11.939 6.994 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 38.001 -11.861 6.970 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 36.723 -11.023 7.167 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 34.426 -9.393 9.420 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 34.486 -10.283 9.814 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 35.192 -9.355 8.807 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 38.693 -10.836 4.388 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 39.050 -10.751 5.296 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 38.674 -11.803 4.229 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 35.150 -13.070 5.328 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 35.582 -13.563 4.600 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 35.899 -12.677 5.831 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 38.652 -13.510 3.625 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 37.764 -13.920 3.489 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 39.183 -14.218 4.008 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 34.502 -6.136 1.490 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 34.966 -6.624 0.768 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 34.847 -6.545 2.314 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 34.689 -13.422 -0.894 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 35.426 -12.961 -1.352 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 35.132 -14.022 -0.263 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 32.165 -13.095 0.071 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 33.108 -13.112 -0.218 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 31.680 -12.791 -0.726 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 34.892 -15.461 1.053 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 33.914 -15.547 1.102 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 35.201 -16.366 0.934 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 35.314 -17.054 4.284 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 34.817 -17.844 4.061 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 35.183 -16.953 5.256 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 33.477 -14.122 7.140 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 33.115 -13.298 7.517 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 34.100 -13.810 6.441 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 41.642 -8.284 8.544 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 41.928 -7.937 9.420 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 42.396 -8.120 7.969 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 34.866 -12.149 9.619 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 35.638 -12.362 9.066 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 34.718 -12.951 10.140 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 42.410 -7.225 10.964 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 42.789 -7.655 11.738 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 42.359 -6.294 11.210 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 30.393 -13.994 16.408 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 30.857 -13.482 17.111 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 31.105 -14.513 15.980 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 33.168 -17.632 12.788 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 34.110 -17.447 12.755 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 33.092 -18.368 13.432 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 32.061 -15.769 14.875 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 32.760 -16.235 15.390 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 32.235 -16.030 13.954 1.00 0.00 WAT1 END