REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1314.57, 64.2653, 79.1106, 34.9798, 401.934, -368.083, -1529.56, 2.50132, 0.285504 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.811824E-03,0.455629,1.15133,42.634,4.538222E-03,0.2198 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 21, 7 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:07 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.784 -12.039 -15.130 1.00 2.21 ATOM 2 CB MET 1 3.552 -13.252 -15.011 1.00 31.24 ATOM 3 HB1 MET 1 3.377 -13.729 -15.964 1.00 37.96 ATOM 4 HB2 MET 1 3.975 -13.977 -14.329 1.00 63.43 ATOM 5 CG MET 1 4.572 -12.142 -15.218 1.00 61.43 ATOM 6 HG1 MET 1 5.475 -12.570 -15.633 1.00 37.96 ATOM 7 HG2 MET 1 4.796 -11.690 -14.262 1.00 70.44 ATOM 8 SD MET 1 3.975 -10.860 -16.336 1.00 23.04 ATOM 9 CE MET 1 5.398 -9.774 -16.396 1.00 2.23 ATOM 10 HE1 MET 1 6.248 -10.314 -16.787 1.00 5.13 ATOM 11 HE2 MET 1 5.624 -9.418 -15.401 1.00 72.52 ATOM 12 HE3 MET 1 5.182 -8.933 -17.038 1.00 14.02 ATOM 13 C MET 1 1.240 -13.945 -14.317 1.00 22.31 ATOM 14 O MET 1 1.201 -14.611 -13.281 1.00 52.04 ATOM 15 N MET 1 2.416 -12.094 -13.135 1.00 2.25 ATOM 16 HT1 MET 1 3.094 -11.313 -13.231 1.00 37.96 ATOM 17 HT2 MET 1 2.784 -12.773 -12.437 1.00 37.96 ATOM 18 HT3 MET 1 1.514 -11.711 -12.781 1.00 37.96 ATOM 19 CA MET 1 2.210 -12.763 -14.448 1.00 41.03 ATOM 20 N GLY 2 0.454 -14.196 -15.367 1.00 22.23 ATOM 21 HN GLY 2 0.521 -13.622 -16.161 1.00 37.96 ATOM 22 CA GLY 2 -0.490 -15.316 -15.368 1.00 12.24 ATOM 23 HA1 GLY 2 0.023 -16.204 -15.024 1.00 37.96 ATOM 24 HA2 GLY 2 -0.823 -15.484 -16.381 1.00 2.44 ATOM 25 C GLY 2 -1.715 -15.086 -14.484 1.00 2.40 ATOM 26 O GLY 2 -2.848 -15.038 -14.972 1.00 71.32 ATOM 27 N HIS 3 -1.484 -14.957 -13.178 1.00 65.11 ATOM 28 HN HIS 3 -0.562 -15.015 -12.858 1.00 37.96 ATOM 29 CA HIS 3 -2.562 -14.729 -12.209 1.00 62.23 ATOM 30 HA HIS 3 -3.267 -15.544 -12.307 1.00 32.24 ATOM 31 CB HIS 3 -1.998 -14.735 -10.783 1.00 50.31 ATOM 32 HB1 HIS 3 -2.801 -14.542 -10.085 1.00 37.96 ATOM 33 HB2 HIS 3 -1.257 -13.954 -10.692 1.00 1.14 ATOM 34 CG HIS 3 -1.350 -16.035 -10.394 1.00 54.43 ATOM 35 ND1 HIS 3 -2.014 -17.039 -9.719 1.00 1.04 ATOM 36 HD1 HIS 3 -2.950 -17.013 -9.426 1.00 10.01 ATOM 37 CD2 HIS 3 -0.087 -16.493 -10.584 1.00 44.42 ATOM 38 HD2 HIS 3 0.717 -15.968 -11.080 1.00 42.12 ATOM 39 CE1 HIS 3 -1.193 -18.048 -9.510 1.00 1.45 ATOM 40 HE1 HIS 3 -1.440 -18.969 -9.002 1.00 11.40 ATOM 41 NE2 HIS 3 -0.021 -17.744 -10.025 1.00 32.14 ATOM 42 HE2 HIS 3 0.802 -18.265 -9.894 1.00 37.96 ATOM 43 C HIS 3 -3.297 -13.405 -12.489 1.00 42.03 ATOM 44 O HIS 3 -2.672 -12.365 -12.696 1.00 65.13 ATOM 45 N HIS 4 -4.625 -13.455 -12.490 1.00 4.51 ATOM 46 HN HIS 4 -5.066 -14.294 -12.240 1.00 37.96 ATOM 47 CA HIS 4 -5.452 -12.301 -12.864 1.00 61.13 ATOM 48 HA HIS 4 -5.010 -11.862 -13.750 1.00 45.44 ATOM 49 CB HIS 4 -6.871 -12.773 -13.220 1.00 22.25 ATOM 50 HB1 HIS 4 -6.824 -13.389 -14.107 1.00 37.96 ATOM 51 HB2 HIS 4 -7.491 -11.912 -13.423 1.00 4.20 ATOM 52 CG HIS 4 -7.534 -13.573 -12.137 1.00 63.41 ATOM 53 ND1 HIS 4 -7.475 -14.951 -12.072 1.00 1.11 ATOM 54 HD1 HIS 4 -7.004 -15.541 -12.705 1.00 25.12 ATOM 55 CD2 HIS 4 -8.282 -13.184 -11.076 1.00 5.31 ATOM 56 HD2 HIS 4 -8.539 -12.169 -10.809 1.00 41.13 ATOM 57 CE1 HIS 4 -8.153 -15.369 -11.022 1.00 13.20 ATOM 58 HE1 HIS 4 -8.278 -16.398 -10.721 1.00 42.24 ATOM 59 NE2 HIS 4 -8.650 -14.320 -10.402 1.00 2.24 ATOM 60 HE2 HIS 4 -9.136 -14.345 -9.551 1.00 37.96 ATOM 61 C HIS 4 -5.507 -11.221 -11.767 1.00 11.04 ATOM 62 O HIS 4 -5.446 -11.517 -10.571 1.00 14.12 ATOM 63 N HIS 5 -5.628 -9.967 -12.201 1.00 74.32 ATOM 64 HN HIS 5 -5.620 -9.806 -13.169 1.00 37.96 ATOM 65 CA HIS 5 -5.756 -8.817 -11.296 1.00 60.24 ATOM 66 HA HIS 5 -4.848 -8.752 -10.714 1.00 70.15 ATOM 67 CB HIS 5 -5.902 -7.532 -12.130 1.00 3.42 ATOM 68 HB1 HIS 5 -6.733 -7.652 -12.812 1.00 37.96 ATOM 69 HB2 HIS 5 -4.999 -7.385 -12.705 1.00 53.23 ATOM 70 CG HIS 5 -6.140 -6.284 -11.327 1.00 55.35 ATOM 71 ND1 HIS 5 -5.125 -5.451 -10.910 1.00 61.43 ATOM 72 HD1 HIS 5 -4.167 -5.579 -11.087 1.00 12.34 ATOM 73 CD2 HIS 5 -7.290 -5.717 -10.880 1.00 53.51 ATOM 74 HD2 HIS 5 -8.291 -6.097 -11.026 1.00 1.22 ATOM 75 CE1 HIS 5 -5.635 -4.435 -10.245 1.00 51.12 ATOM 76 HE1 HIS 5 -5.074 -3.624 -9.803 1.00 22.35 ATOM 77 NE2 HIS 5 -6.945 -4.569 -10.214 1.00 3.35 ATOM 78 HE2 HIS 5 -7.573 -3.862 -9.948 1.00 37.96 ATOM 79 C HIS 5 -6.954 -8.968 -10.339 1.00 51.23 ATOM 80 O HIS 5 -8.100 -8.724 -10.721 1.00 51.44 ATOM 81 N HIS 6 -6.688 -9.380 -9.102 1.00 51.21 ATOM 82 HN HIS 6 -5.770 -9.629 -8.872 1.00 37.96 ATOM 83 CA HIS 6 -7.743 -9.487 -8.086 1.00 33.04 ATOM 84 HA HIS 6 -8.661 -9.749 -8.598 1.00 35.45 ATOM 85 CB HIS 6 -7.418 -10.600 -7.068 1.00 22.34 ATOM 86 HB1 HIS 6 -7.431 -11.552 -7.580 1.00 37.96 ATOM 87 HB2 HIS 6 -8.178 -10.606 -6.301 1.00 50.01 ATOM 88 CG HIS 6 -6.086 -10.463 -6.382 1.00 33.12 ATOM 89 ND1 HIS 6 -5.126 -11.453 -6.400 1.00 54.40 ATOM 90 HD1 HIS 6 -5.205 -12.322 -6.853 1.00 32.00 ATOM 91 CD2 HIS 6 -5.569 -9.464 -5.625 1.00 14.14 ATOM 92 HD2 HIS 6 -6.046 -8.522 -5.395 1.00 31.32 ATOM 93 CE1 HIS 6 -4.083 -11.070 -5.690 1.00 73.35 ATOM 94 HE1 HIS 6 -3.181 -11.643 -5.533 1.00 10.42 ATOM 95 NE2 HIS 6 -4.327 -9.869 -5.213 1.00 62.23 ATOM 96 HE2 HIS 6 -3.768 -9.399 -4.553 1.00 37.96 ATOM 97 C HIS 6 -7.959 -8.146 -7.363 1.00 64.20 ATOM 98 O HIS 6 -7.025 -7.366 -7.183 1.00 2.10 ATOM 99 N HIS 7 -9.198 -7.883 -6.960 1.00 33.13 ATOM 100 HN HIS 7 -9.907 -8.532 -7.157 1.00 37.96 ATOM 101 CA HIS 7 -9.542 -6.650 -6.239 1.00 53.23 ATOM 102 HA HIS 7 -8.760 -5.925 -6.426 1.00 2.05 ATOM 103 CB HIS 7 -10.872 -6.096 -6.776 1.00 1.42 ATOM 104 HB1 HIS 7 -11.658 -6.807 -6.565 1.00 37.96 ATOM 105 HB2 HIS 7 -10.793 -5.969 -7.846 1.00 64.34 ATOM 106 CG HIS 7 -11.275 -4.773 -6.188 1.00 13.10 ATOM 107 ND1 HIS 7 -10.734 -3.570 -6.594 1.00 3.42 ATOM 108 HD1 HIS 7 -10.050 -3.452 -7.286 1.00 2.22 ATOM 109 CD2 HIS 7 -12.178 -4.465 -5.226 1.00 24.52 ATOM 110 HD2 HIS 7 -12.799 -5.163 -4.682 1.00 4.24 ATOM 111 CE1 HIS 7 -11.280 -2.589 -5.906 1.00 71.53 ATOM 112 HE1 HIS 7 -11.050 -1.539 -6.013 1.00 2.23 ATOM 113 NE2 HIS 7 -12.157 -3.102 -5.074 1.00 35.30 ATOM 114 HE2 HIS 7 -12.655 -2.596 -4.397 1.00 37.96 ATOM 115 C HIS 7 -9.630 -6.894 -4.721 1.00 44.14 ATOM 116 O HIS 7 -9.599 -5.950 -3.928 1.00 21.42 ATOM 117 N HIS 8 -9.743 -8.163 -4.326 1.00 33.45 ATOM 118 HN HIS 8 -9.775 -8.871 -5.006 1.00 37.96 ATOM 119 CA HIS 8 -9.830 -8.538 -2.907 1.00 73.34 ATOM 120 HA HIS 8 -9.540 -7.681 -2.314 1.00 74.42 ATOM 121 CB HIS 8 -11.280 -8.915 -2.557 1.00 71.45 ATOM 122 HB1 HIS 8 -11.568 -9.783 -3.135 1.00 37.96 ATOM 123 HB2 HIS 8 -11.929 -8.091 -2.816 1.00 2.13 ATOM 124 CG HIS 8 -11.508 -9.233 -1.104 1.00 74.51 ATOM 125 ND1 HIS 8 -12.015 -8.321 -0.203 1.00 23.41 ATOM 126 HD1 HIS 8 -12.271 -7.395 -0.407 1.00 10.33 ATOM 127 CD2 HIS 8 -11.310 -10.375 -0.398 1.00 61.42 ATOM 128 HD2 HIS 8 -10.920 -11.306 -0.783 1.00 74.23 ATOM 129 CE1 HIS 8 -12.122 -8.883 0.983 1.00 61.34 ATOM 130 HE1 HIS 8 -12.494 -8.405 1.878 1.00 41.20 ATOM 131 NE2 HIS 8 -11.703 -10.128 0.894 1.00 43.53 ATOM 132 HE2 HIS 8 -11.843 -10.815 1.584 1.00 37.96 ATOM 133 C HIS 8 -8.877 -9.706 -2.584 1.00 63.45 ATOM 134 O HIS 8 -9.140 -10.851 -2.948 1.00 61.35 ATOM 135 N SER 9 -7.767 -9.406 -1.911 1.00 3.22 ATOM 136 HN SER 9 -7.595 -8.470 -1.672 1.00 37.96 ATOM 137 CA SER 9 -6.790 -10.439 -1.519 1.00 20.15 ATOM 138 HA SER 9 -6.766 -11.186 -2.301 1.00 54.33 ATOM 139 CB SER 9 -5.385 -9.832 -1.373 1.00 62.43 ATOM 140 HB1 SER 9 -4.701 -10.597 -1.035 1.00 37.96 ATOM 141 HB2 SER 9 -5.412 -9.033 -0.648 1.00 61.12 ATOM 142 OG SER 9 -4.904 -9.309 -2.604 1.00 35.23 ATOM 143 HG SER 9 -5.438 -8.548 -2.860 1.00 51.22 ATOM 144 C SER 9 -7.188 -11.122 -0.200 1.00 75.42 ATOM 145 O SER 9 -8.025 -10.615 0.549 1.00 13.25 ATOM 146 N HIS 10 -6.572 -12.269 0.087 1.00 74.04 ATOM 147 HN HIS 10 -5.914 -12.624 -0.550 1.00 37.96 ATOM 148 CA HIS 10 -6.842 -13.012 1.329 1.00 52.41 ATOM 149 HA HIS 10 -7.540 -12.435 1.920 1.00 63.14 ATOM 150 CB HIS 10 -7.470 -14.381 1.014 1.00 73.41 ATOM 151 HB1 HIS 10 -8.347 -14.235 0.399 1.00 37.96 ATOM 152 HB2 HIS 10 -7.764 -14.857 1.939 1.00 42.31 ATOM 153 CG HIS 10 -6.547 -15.317 0.291 1.00 31.32 ATOM 154 ND1 HIS 10 -5.501 -15.972 0.912 1.00 3.24 ATOM 155 HD1 HIS 10 -5.256 -15.896 1.861 1.00 12.24 ATOM 156 CD2 HIS 10 -6.506 -15.703 -1.007 1.00 71.52 ATOM 157 HD2 HIS 10 -7.181 -15.390 -1.792 1.00 33.03 ATOM 158 CE1 HIS 10 -4.860 -16.711 0.030 1.00 2.20 ATOM 159 HE1 HIS 10 -4.001 -17.333 0.232 1.00 15.04 ATOM 160 NE2 HIS 10 -5.449 -16.568 -1.138 1.00 54.21 ATOM 161 HE2 HIS 10 -5.094 -16.905 -1.992 1.00 37.96 ATOM 162 C HIS 10 -5.553 -13.214 2.146 1.00 15.23 ATOM 163 O HIS 10 -4.457 -13.228 1.584 1.00 52.20 ATOM 164 N PRO 11 -5.667 -13.388 3.479 1.00 53.44 ATOM 165 CA PRO 11 -4.503 -13.658 4.347 1.00 31.31 ATOM 166 HA PRO 11 -3.837 -12.806 4.378 1.00 11.24 ATOM 167 CB PRO 11 -5.131 -13.870 5.735 1.00 62.20 ATOM 168 HB1 PRO 11 -4.489 -13.443 6.492 1.00 37.96 ATOM 169 HB2 PRO 11 -5.260 -14.928 5.922 1.00 53.11 ATOM 170 CG PRO 11 -6.443 -13.165 5.672 1.00 32.32 ATOM 171 HG1 PRO 11 -6.312 -12.120 5.917 1.00 37.96 ATOM 172 HG2 PRO 11 -7.142 -13.625 6.357 1.00 34.43 ATOM 173 CD PRO 11 -6.923 -13.314 4.253 1.00 40.50 ATOM 174 HD1 PRO 11 -7.507 -12.453 3.957 1.00 37.96 ATOM 175 HD2 PRO 11 -7.501 -14.221 4.140 1.00 71.43 ATOM 176 C PRO 11 -3.708 -14.906 3.921 1.00 11.33 ATOM 177 O PRO 11 -4.287 -15.942 3.570 1.00 74.54 ATOM 178 N ASN 12 -2.380 -14.796 3.939 1.00 23.43 ATOM 179 HN ASN 12 -1.979 -13.932 4.172 1.00 37.96 ATOM 180 CA ASN 12 -1.497 -15.923 3.614 1.00 22.34 ATOM 181 HA ASN 12 -2.063 -16.631 3.025 1.00 24.54 ATOM 182 CB ASN 12 -0.296 -15.436 2.789 1.00 60.52 ATOM 183 HB1 ASN 12 -0.654 -15.020 1.858 1.00 37.96 ATOM 184 HB2 ASN 12 0.349 -16.275 2.578 1.00 23.53 ATOM 185 CG ASN 12 0.518 -14.373 3.510 1.00 52.22 ATOM 186 OD1 ASN 12 -0.015 -13.575 4.270 1.00 60.23 ATOM 187 ND2 ASN 12 1.813 -14.353 3.281 1.00 63.31 ATOM 188 HD21 ASN 12 2.187 -15.020 2.669 1.00 61.41 ATOM 189 HD22 ASN 12 2.351 -13.668 3.737 1.00 14.43 ATOM 190 C ASN 12 -1.005 -16.626 4.891 1.00 31.12 ATOM 191 O ASN 12 -1.368 -16.239 6.005 1.00 43.12 ATOM 192 N GLU 13 -0.180 -17.660 4.719 1.00 11.32 ATOM 193 HN GLU 13 0.025 -17.953 3.804 1.00 37.96 ATOM 194 CA GLU 13 0.412 -18.394 5.850 1.00 41.22 ATOM 195 HA GLU 13 -0.377 -18.956 6.329 1.00 74.32 ATOM 196 CB GLU 13 1.479 -19.373 5.340 1.00 52.24 ATOM 197 HB1 GLU 13 2.241 -18.814 4.815 1.00 37.96 ATOM 198 HB2 GLU 13 1.014 -20.064 4.651 1.00 41.25 ATOM 199 CG GLU 13 2.154 -20.185 6.443 1.00 3.13 ATOM 200 HG1 GLU 13 1.426 -20.864 6.868 1.00 37.96 ATOM 201 HG2 GLU 13 2.502 -19.510 7.213 1.00 62.33 ATOM 202 CD GLU 13 3.332 -20.994 5.927 1.00 33.24 ATOM 203 OE1 GLU 13 3.103 -21.976 5.193 1.00 12.54 ATOM 204 OE2 GLU 13 4.488 -20.634 6.230 1.00 53.40 ATOM 205 C GLU 13 1.044 -17.445 6.880 1.00 64.24 ATOM 206 O GLU 13 0.704 -17.473 8.062 1.00 25.43 ATOM 207 N GLU 14 1.952 -16.599 6.408 1.00 24.05 ATOM 208 HN GLU 14 2.141 -16.599 5.446 1.00 37.96 ATOM 209 CA GLU 14 2.687 -15.672 7.272 1.00 51.41 ATOM 210 HA GLU 14 3.195 -16.261 8.025 1.00 21.34 ATOM 211 CB GLU 14 3.744 -14.934 6.437 1.00 70.21 ATOM 212 HB1 GLU 14 4.277 -14.240 7.074 1.00 37.96 ATOM 213 HB2 GLU 14 3.246 -14.380 5.651 1.00 40.14 ATOM 214 CG GLU 14 4.763 -15.878 5.796 1.00 44.41 ATOM 215 HG1 GLU 14 4.229 -16.644 5.248 1.00 37.96 ATOM 216 HG2 GLU 14 5.341 -16.345 6.580 1.00 34.55 ATOM 217 CD GLU 14 5.719 -15.180 4.842 1.00 2.52 ATOM 218 OE1 GLU 14 5.430 -15.148 3.623 1.00 54.02 ATOM 219 OE2 GLU 14 6.765 -14.676 5.303 1.00 13.32 ATOM 220 C GLU 14 1.753 -14.676 7.984 1.00 41.31 ATOM 221 O GLU 14 2.011 -14.280 9.121 1.00 34.50 ATOM 222 N ALA 15 0.661 -14.286 7.322 1.00 11.11 ATOM 223 HN ALA 15 0.507 -14.621 6.414 1.00 37.96 ATOM 224 CA ALA 15 -0.309 -13.361 7.920 1.00 14.54 ATOM 225 HA ALA 15 0.240 -12.518 8.319 1.00 11.21 ATOM 226 CB ALA 15 -1.270 -12.832 6.863 1.00 23.23 ATOM 227 HB1 ALA 15 -1.865 -13.647 6.475 1.00 11.12 ATOM 228 HB2 ALA 15 -0.709 -12.382 6.057 1.00 55.22 ATOM 229 HB3 ALA 15 -1.922 -12.091 7.304 1.00 35.04 ATOM 230 C ALA 15 -1.096 -14.023 9.062 1.00 34.44 ATOM 231 O ALA 15 -1.176 -13.478 10.165 1.00 52.15 ATOM 232 N ARG 16 -1.659 -15.209 8.798 1.00 20.24 ATOM 233 HN ARG 16 -1.542 -15.605 7.906 1.00 37.96 ATOM 234 CA ARG 16 -2.451 -15.930 9.808 1.00 72.23 ATOM 235 HA ARG 16 -3.153 -15.219 10.221 1.00 61.51 ATOM 236 CB ARG 16 -3.254 -17.074 9.159 1.00 51.15 ATOM 237 HB1 ARG 16 -3.974 -16.641 8.479 1.00 37.96 ATOM 238 HB2 ARG 16 -3.789 -17.602 9.935 1.00 44.23 ATOM 239 CG ARG 16 -2.423 -18.093 8.383 1.00 60.24 ATOM 240 HG1 ARG 16 -1.845 -18.682 9.081 1.00 37.96 ATOM 241 HG2 ARG 16 -1.754 -17.568 7.715 1.00 42.22 ATOM 242 CD ARG 16 -3.309 -19.028 7.556 1.00 35.44 ATOM 243 HD1 ARG 16 -3.890 -18.433 6.864 1.00 37.96 ATOM 244 HD2 ARG 16 -3.979 -19.555 8.222 1.00 53.43 ATOM 245 NE ARG 16 -2.531 -20.012 6.802 1.00 1.42 ATOM 246 HE ARG 16 -1.985 -20.642 7.314 1.00 63.00 ATOM 247 CZ ARG 16 -2.543 -20.124 5.499 1.00 53.24 ATOM 248 NH1 ARG 16 -3.233 -19.302 4.768 1.00 53.23 ATOM 249 HH11 ARG 16 -3.761 -18.579 5.199 1.00 45.33 ATOM 250 HH12 ARG 16 -3.228 -19.396 3.773 1.00 31.25 ATOM 251 NH2 ARG 16 -1.853 -21.054 4.924 1.00 64.22 ATOM 252 HH21 ARG 16 -1.312 -21.687 5.472 1.00 23.22 ATOM 253 HH22 ARG 16 -1.864 -21.138 3.928 1.00 65.21 ATOM 254 C ARG 16 -1.569 -16.438 10.962 1.00 65.00 ATOM 255 O ARG 16 -2.006 -16.488 12.112 1.00 15.55 ATOM 256 N LEU 17 -0.328 -16.804 10.646 1.00 72.14 ATOM 257 HN LEU 17 -0.078 -16.865 9.700 1.00 37.96 ATOM 258 CA LEU 17 0.674 -17.130 11.672 1.00 53.40 ATOM 259 HA LEU 17 0.316 -17.984 12.230 1.00 33.11 ATOM 260 CB LEU 17 2.017 -17.485 11.012 1.00 53.35 ATOM 261 HB1 LEU 17 2.218 -16.753 10.241 1.00 37.96 ATOM 262 HB2 LEU 17 1.916 -18.455 10.542 1.00 10.20 ATOM 263 CG LEU 17 3.232 -17.529 11.964 1.00 30.14 ATOM 264 HG LEU 17 3.264 -16.607 12.528 1.00 12.10 ATOM 265 CD1 LEU 17 3.106 -18.670 12.968 1.00 2.04 ATOM 266 HD11 LEU 17 2.181 -18.568 13.519 1.00 75.13 ATOM 267 HD12 LEU 17 3.937 -18.634 13.658 1.00 53.14 ATOM 268 HD13 LEU 17 3.113 -19.616 12.446 1.00 0.04 ATOM 269 CD2 LEU 17 4.539 -17.634 11.182 1.00 71.34 ATOM 270 HD21 LEU 17 4.617 -16.799 10.500 1.00 30.32 ATOM 271 HD22 LEU 17 4.555 -18.558 10.625 1.00 43.15 ATOM 272 HD23 LEU 17 5.373 -17.612 11.871 1.00 4.23 ATOM 273 C LEU 17 0.879 -15.950 12.634 1.00 54.02 ATOM 274 O LEU 17 0.845 -16.107 13.857 1.00 22.44 ATOM 275 N ASP 18 1.094 -14.769 12.063 1.00 22.34 ATOM 276 HN ASP 18 1.084 -14.709 11.082 1.00 37.96 ATOM 277 CA ASP 18 1.356 -13.559 12.839 1.00 40.43 ATOM 278 HA ASP 18 2.265 -13.723 13.399 1.00 50.44 ATOM 279 CB ASP 18 1.577 -12.387 11.883 1.00 21.12 ATOM 280 HB1 ASP 18 0.647 -12.159 11.381 1.00 37.96 ATOM 281 HB2 ASP 18 2.316 -12.669 11.143 1.00 73.12 ATOM 282 CG ASP 18 2.063 -11.145 12.595 1.00 4.25 ATOM 283 OD1 ASP 18 3.264 -11.096 12.948 1.00 21.44 ATOM 284 OD2 ASP 18 1.255 -10.217 12.795 1.00 45.54 ATOM 285 C ASP 18 0.218 -13.254 13.832 1.00 23.41 ATOM 286 O ASP 18 0.465 -12.902 14.985 1.00 74.21 ATOM 287 N ILE 19 -1.024 -13.415 13.383 1.00 33.22 ATOM 288 HN ILE 19 -1.156 -13.691 12.451 1.00 37.96 ATOM 289 CA ILE 19 -2.201 -13.195 14.236 1.00 71.10 ATOM 290 HA ILE 19 -2.207 -12.157 14.541 1.00 1.52 ATOM 291 CB ILE 19 -3.504 -13.487 13.453 1.00 73.35 ATOM 292 HB ILE 19 -3.541 -14.548 13.247 1.00 3.12 ATOM 293 CG1 ILE 19 -3.510 -12.722 12.120 1.00 74.12 ATOM 294 HG11 ILE 19 -2.563 -12.874 11.620 1.00 37.96 ATOM 295 HG12 ILE 19 -3.645 -11.667 12.312 1.00 64.43 ATOM 296 CG2 ILE 19 -4.735 -13.125 14.288 1.00 52.25 ATOM 297 HG21 ILE 19 -4.726 -13.693 15.207 1.00 1.52 ATOM 298 HG22 ILE 19 -5.630 -13.362 13.731 1.00 21.53 ATOM 299 HG23 ILE 19 -4.722 -12.069 14.516 1.00 70.45 ATOM 300 CD1 ILE 19 -4.609 -13.164 11.179 1.00 64.43 ATOM 301 HD11 ILE 19 -4.528 -12.622 10.248 1.00 60.11 ATOM 302 HD12 ILE 19 -5.569 -12.966 11.630 1.00 61.35 ATOM 303 HD13 ILE 19 -4.512 -14.225 10.989 1.00 40.40 ATOM 304 C ILE 19 -2.155 -14.088 15.491 1.00 72.10 ATOM 305 O ILE 19 -2.445 -13.641 16.607 1.00 53.14 ATOM 306 N LEU 20 -1.794 -15.355 15.289 1.00 61.20 ATOM 307 HN LEU 20 -1.657 -15.665 14.367 1.00 37.96 ATOM 308 CA LEU 20 -1.596 -16.305 16.392 1.00 2.44 ATOM 309 HA LEU 20 -2.539 -16.416 16.910 1.00 44.43 ATOM 310 CB LEU 20 -1.168 -17.670 15.828 1.00 33.10 ATOM 311 HB1 LEU 20 -0.895 -18.311 16.654 1.00 37.96 ATOM 312 HB2 LEU 20 -0.293 -17.520 15.209 1.00 11.25 ATOM 313 CG LEU 20 -2.237 -18.392 14.989 1.00 20.21 ATOM 314 HG LEU 20 -2.722 -17.674 14.344 1.00 10.25 ATOM 315 CD1 LEU 20 -1.609 -19.461 14.100 1.00 0.54 ATOM 316 HD11 LEU 20 -0.886 -19.000 13.442 1.00 61.40 ATOM 317 HD12 LEU 20 -2.379 -19.932 13.508 1.00 64.12 ATOM 318 HD13 LEU 20 -1.118 -20.205 14.712 1.00 63.53 ATOM 319 CD2 LEU 20 -3.305 -19.004 15.892 1.00 12.02 ATOM 320 HD21 LEU 20 -2.842 -19.695 16.584 1.00 74.33 ATOM 321 HD22 LEU 20 -4.030 -19.531 15.289 1.00 32.23 ATOM 322 HD23 LEU 20 -3.800 -18.220 16.446 1.00 24.12 ATOM 323 C LEU 20 -0.541 -15.787 17.379 1.00 20.03 ATOM 324 O LEU 20 -0.745 -15.800 18.594 1.00 35.43 ATOM 325 N LYS 21 0.581 -15.319 16.836 1.00 72.05 ATOM 326 HN LYS 21 0.690 -15.378 15.862 1.00 37.96 ATOM 327 CA LYS 21 1.659 -14.721 17.635 1.00 40.12 ATOM 328 HA LYS 21 2.039 -15.478 18.305 1.00 13.41 ATOM 329 CB LYS 21 2.790 -14.266 16.701 1.00 1.52 ATOM 330 HB1 LYS 21 3.564 -13.801 17.297 1.00 37.96 ATOM 331 HB2 LYS 21 2.395 -13.535 16.010 1.00 35.11 ATOM 332 CG LYS 21 3.428 -15.397 15.890 1.00 35.23 ATOM 333 HG1 LYS 21 2.655 -16.096 15.598 1.00 37.96 ATOM 334 HG2 LYS 21 4.155 -15.904 16.509 1.00 11.12 ATOM 335 CD LYS 21 4.127 -14.877 14.633 1.00 60.42 ATOM 336 HD1 LYS 21 3.385 -14.448 13.974 1.00 37.96 ATOM 337 HD2 LYS 21 4.610 -15.705 14.134 1.00 72.22 ATOM 338 CE LYS 21 5.175 -13.820 14.950 1.00 74.33 ATOM 339 HE1 LYS 21 6.041 -14.305 15.375 1.00 37.96 ATOM 340 HE2 LYS 21 4.764 -13.129 15.666 1.00 4.53 ATOM 341 NZ LYS 21 5.591 -13.062 13.739 1.00 53.11 ATOM 342 HZ1 LYS 21 4.779 -12.543 13.343 1.00 51.24 ATOM 343 HZ2 LYS 21 5.958 -13.712 13.013 1.00 22.12 ATOM 344 HZ3 LYS 21 6.338 -12.380 13.982 1.00 25.54 ATOM 345 C LYS 21 1.152 -13.522 18.464 1.00 22.34 ATOM 346 O LYS 21 1.587 -13.300 19.593 1.00 34.44 ATOM 347 N ILE 22 0.229 -12.751 17.888 1.00 11.00 ATOM 348 HN ILE 22 -0.075 -12.975 16.981 1.00 37.96 ATOM 349 CA ILE 22 -0.331 -11.569 18.559 1.00 20.51 ATOM 350 HA ILE 22 0.499 -10.976 18.924 1.00 32.24 ATOM 351 CB ILE 22 -1.142 -10.693 17.565 1.00 0.35 ATOM 352 HB ILE 22 -1.905 -11.316 17.117 1.00 62.04 ATOM 353 CG1 ILE 22 -0.223 -10.158 16.455 1.00 61.31 ATOM 354 HG11 ILE 22 0.253 -10.991 15.957 1.00 37.96 ATOM 355 HG12 ILE 22 0.537 -9.530 16.896 1.00 70.40 ATOM 356 CG2 ILE 22 -1.843 -9.541 18.292 1.00 3.40 ATOM 357 HG21 ILE 22 -2.524 -9.939 19.031 1.00 43.33 ATOM 358 HG22 ILE 22 -2.398 -8.947 17.580 1.00 25.30 ATOM 359 HG23 ILE 22 -1.106 -8.920 18.781 1.00 50.52 ATOM 360 CD1 ILE 22 -0.941 -9.339 15.402 1.00 35.02 ATOM 361 HD11 ILE 22 -0.228 -8.999 14.665 1.00 14.12 ATOM 362 HD12 ILE 22 -1.413 -8.486 15.865 1.00 62.11 ATOM 363 HD13 ILE 22 -1.691 -9.949 14.920 1.00 64.12 ATOM 364 C ILE 22 -1.228 -11.939 19.757 1.00 71.00 ATOM 365 O ILE 22 -0.979 -11.506 20.882 1.00 54.42 ATOM 366 N HIS 23 -2.261 -12.747 19.514 1.00 22.05 ATOM 367 HN HIS 23 -2.357 -13.140 18.617 1.00 37.96 ATOM 368 CA HIS 23 -3.248 -13.077 20.559 1.00 43.52 ATOM 369 HA HIS 23 -3.538 -12.146 21.028 1.00 30.40 ATOM 370 CB HIS 23 -4.502 -13.715 19.939 1.00 44.20 ATOM 371 HB1 HIS 23 -5.146 -14.077 20.729 1.00 37.96 ATOM 372 HB2 HIS 23 -4.206 -14.547 19.316 1.00 50.40 ATOM 373 CG HIS 23 -5.302 -12.769 19.091 1.00 64.12 ATOM 374 ND1 HIS 23 -6.383 -12.056 19.567 1.00 63.52 ATOM 375 HD1 HIS 23 -6.733 -12.084 20.486 1.00 71.44 ATOM 376 CD2 HIS 23 -5.173 -12.417 17.790 1.00 43.35 ATOM 377 HD2 HIS 23 -4.423 -12.780 17.101 1.00 53.32 ATOM 378 CE1 HIS 23 -6.880 -11.314 18.601 1.00 41.45 ATOM 379 HE1 HIS 23 -7.729 -10.651 18.689 1.00 72.44 ATOM 380 NE2 HIS 23 -6.166 -11.509 17.511 1.00 61.05 ATOM 381 HE2 HIS 23 -6.180 -10.919 16.727 1.00 37.96 ATOM 382 C HIS 23 -2.665 -13.996 21.648 1.00 74.24 ATOM 383 O HIS 23 -3.062 -13.917 22.812 1.00 3.21 ATOM 384 N SER 24 -1.710 -14.848 21.273 1.00 44.01 ATOM 385 HN SER 24 -1.410 -14.848 20.339 1.00 37.96 ATOM 386 CA SER 24 -1.095 -15.795 22.221 1.00 42.13 ATOM 387 HA SER 24 -1.892 -16.347 22.699 1.00 5.45 ATOM 388 CB SER 24 -0.186 -16.782 21.483 1.00 12.21 ATOM 389 HB1 SER 24 -0.762 -17.311 20.737 1.00 37.96 ATOM 390 HB2 SER 24 0.223 -17.489 22.188 1.00 52.01 ATOM 391 OG SER 24 0.884 -16.111 20.840 1.00 12.44 ATOM 392 HG SER 24 0.749 -16.134 19.888 1.00 45.05 ATOM 393 C SER 24 -0.282 -15.078 23.308 1.00 44.34 ATOM 394 O SER 24 -0.015 -15.644 24.370 1.00 31.13 ATOM 395 N ARG 25 0.107 -13.831 23.044 1.00 50.34 ATOM 396 HN ARG 25 -0.115 -13.441 22.173 1.00 37.96 ATOM 397 CA ARG 25 0.875 -13.032 24.010 1.00 11.00 ATOM 398 HA ARG 25 1.763 -13.596 24.259 1.00 51.03 ATOM 399 CB ARG 25 1.309 -11.704 23.368 1.00 2.41 ATOM 400 HB1 ARG 25 1.621 -11.023 24.145 1.00 37.96 ATOM 401 HB2 ARG 25 0.462 -11.277 22.849 1.00 0.25 ATOM 402 CG ARG 25 2.457 -11.850 22.372 1.00 74.22 ATOM 403 HG1 ARG 25 2.152 -12.523 21.582 1.00 37.96 ATOM 404 HG2 ARG 25 3.314 -12.265 22.885 1.00 5.31 ATOM 405 CD ARG 25 2.855 -10.511 21.756 1.00 53.45 ATOM 406 HD1 ARG 25 3.782 -10.640 21.216 1.00 37.96 ATOM 407 HD2 ARG 25 3.004 -9.794 22.552 1.00 62.04 ATOM 408 NE ARG 25 1.839 -9.998 20.838 1.00 53.42 ATOM 409 HE ARG 25 1.259 -10.651 20.404 1.00 2.41 ATOM 410 CZ ARG 25 1.687 -8.732 20.536 1.00 40.32 ATOM 411 NH1 ARG 25 2.368 -7.815 21.143 1.00 41.03 ATOM 412 HH11 ARG 25 3.017 -8.065 21.857 1.00 50.23 ATOM 413 HH12 ARG 25 2.230 -6.854 20.906 1.00 32.24 ATOM 414 NH2 ARG 25 0.820 -8.384 19.646 1.00 62.14 ATOM 415 HH21 ARG 25 0.269 -9.072 19.196 1.00 71.21 ATOM 416 HH22 ARG 25 0.707 -7.417 19.409 1.00 14.01 ATOM 417 C ARG 25 0.092 -12.767 25.313 1.00 61.30 ATOM 418 O ARG 25 0.675 -12.357 26.319 1.00 23.50 ATOM 419 N LYS 26 -1.221 -13.001 25.295 1.00 31.42 ATOM 420 HN LYS 26 -1.641 -13.296 24.460 1.00 37.96 ATOM 421 CA LYS 26 -2.058 -12.823 26.493 1.00 55.33 ATOM 422 HA LYS 26 -1.554 -12.123 27.146 1.00 2.44 ATOM 423 CB LYS 26 -3.422 -12.232 26.106 1.00 1.03 ATOM 424 HB1 LYS 26 -4.074 -12.266 26.968 1.00 37.96 ATOM 425 HB2 LYS 26 -3.853 -12.835 25.319 1.00 65.11 ATOM 426 CG LYS 26 -3.353 -10.786 25.619 1.00 24.23 ATOM 427 HG1 LYS 26 -2.719 -10.743 24.743 1.00 37.96 ATOM 428 HG2 LYS 26 -2.928 -10.173 26.401 1.00 51.53 ATOM 429 CD LYS 26 -4.736 -10.239 25.258 1.00 13.35 ATOM 430 HD1 LYS 26 -5.138 -10.820 24.440 1.00 37.96 ATOM 431 HD2 LYS 26 -4.634 -9.208 24.947 1.00 72.10 ATOM 432 CE LYS 26 -5.708 -10.300 26.436 1.00 65.21 ATOM 433 HE1 LYS 26 -5.856 -11.335 26.711 1.00 37.96 ATOM 434 HE2 LYS 26 -6.653 -9.875 26.129 1.00 10.43 ATOM 435 NZ LYS 26 -5.207 -9.553 27.622 1.00 53.54 ATOM 436 HZ1 LYS 26 -5.910 -9.581 28.388 1.00 15.12 ATOM 437 HZ2 LYS 26 -5.029 -8.560 27.373 1.00 15.12 ATOM 438 HZ3 LYS 26 -4.322 -9.977 27.968 1.00 63.13 ATOM 439 C LYS 26 -2.260 -14.143 27.264 1.00 31.43 ATOM 440 O LYS 26 -3.044 -14.196 28.212 1.00 64.44 ATOM 441 N MET 27 -1.563 -15.204 26.853 1.00 54.43 ATOM 442 HN MET 27 -0.970 -15.112 26.076 1.00 37.96 ATOM 443 CA MET 27 -1.648 -16.509 27.534 1.00 34.51 ATOM 444 HA MET 27 -1.949 -16.332 28.559 1.00 71.25 ATOM 445 CB MET 27 -2.695 -17.413 26.855 1.00 11.15 ATOM 446 HB1 MET 27 -2.660 -18.393 27.313 1.00 37.96 ATOM 447 HB2 MET 27 -2.442 -17.510 25.809 1.00 24.13 ATOM 448 CG MET 27 -4.128 -16.897 26.946 1.00 0.33 ATOM 449 HG1 MET 27 -4.202 -15.971 26.396 1.00 37.96 ATOM 450 HG2 MET 27 -4.367 -16.717 27.984 1.00 3.14 ATOM 451 SD MET 27 -5.336 -18.060 26.277 1.00 0.23 ATOM 452 CE MET 27 -4.802 -18.180 24.568 1.00 61.25 ATOM 453 HE1 MET 27 -4.847 -17.205 24.107 1.00 12.32 ATOM 454 HE2 MET 27 -5.450 -18.861 24.034 1.00 10.10 ATOM 455 HE3 MET 27 -3.788 -18.548 24.533 1.00 40.23 ATOM 456 C MET 27 -0.289 -17.230 27.545 1.00 12.42 ATOM 457 O MET 27 0.707 -16.714 27.038 1.00 51.41 ATOM 458 N ASN 28 -0.255 -18.422 28.139 1.00 32.12 ATOM 459 HN ASN 28 -1.058 -18.740 28.606 1.00 37.96 ATOM 460 CA ASN 28 0.947 -19.270 28.124 1.00 73.23 ATOM 461 HA ASN 28 1.796 -18.643 27.890 1.00 51.03 ATOM 462 CB ASN 28 1.169 -19.919 29.498 1.00 33.13 ATOM 463 HB1 ASN 28 2.044 -20.551 29.452 1.00 37.96 ATOM 464 HB2 ASN 28 0.309 -20.524 29.748 1.00 32.23 ATOM 465 CG ASN 28 1.374 -18.899 30.601 1.00 34.42 ATOM 466 OD1 ASN 28 1.892 -17.813 30.371 1.00 12.42 ATOM 467 ND2 ASN 28 0.985 -19.240 31.811 1.00 14.13 ATOM 468 HD21 ASN 28 0.589 -20.124 31.938 1.00 22.15 ATOM 469 HD22 ASN 28 1.100 -18.588 32.531 1.00 44.31 ATOM 470 C ASN 28 0.832 -20.367 27.054 1.00 13.33 ATOM 471 O ASN 28 -0.246 -20.918 26.838 1.00 12.14 ATOM 472 N LEU 29 1.943 -20.682 26.389 1.00 4.44 ATOM 473 HN LEU 29 2.770 -20.181 26.576 1.00 37.96 ATOM 474 CA LEU 29 1.971 -21.758 25.387 1.00 4.32 ATOM 475 HA LEU 29 0.991 -22.214 25.356 1.00 43.13 ATOM 476 CB LEU 29 2.307 -21.200 23.995 1.00 53.45 ATOM 477 HB1 LEU 29 2.376 -22.031 23.306 1.00 37.96 ATOM 478 HB2 LEU 29 3.276 -20.722 24.047 1.00 41.43 ATOM 479 CG LEU 29 1.306 -20.186 23.417 1.00 52.23 ATOM 480 HG LEU 29 1.293 -19.307 24.047 1.00 72.13 ATOM 481 CD1 LEU 29 1.742 -19.751 22.020 1.00 62.35 ATOM 482 HD11 LEU 29 2.709 -19.273 22.078 1.00 33.34 ATOM 483 HD12 LEU 29 1.022 -19.055 21.617 1.00 64.11 ATOM 484 HD13 LEU 29 1.806 -20.615 21.375 1.00 15.23 ATOM 485 CD2 LEU 29 -0.106 -20.767 23.389 1.00 24.40 ATOM 486 HD21 LEU 29 -0.414 -21.022 24.394 1.00 73.51 ATOM 487 HD22 LEU 29 -0.123 -21.655 22.773 1.00 64.32 ATOM 488 HD23 LEU 29 -0.788 -20.035 22.981 1.00 63.55 ATOM 489 C LEU 29 2.999 -22.832 25.763 1.00 42.13 ATOM 490 O LEU 29 3.924 -22.579 26.534 1.00 4.53 ATOM 491 N THR 30 2.833 -24.036 25.225 1.00 32.24 ATOM 492 HN THR 30 2.028 -24.218 24.695 1.00 37.96 ATOM 493 CA THR 30 3.829 -25.095 25.422 1.00 1.41 ATOM 494 HA THR 30 4.028 -25.162 26.485 1.00 1.33 ATOM 495 CB THR 30 3.315 -26.477 24.943 1.00 55.12 ATOM 496 HB THR 30 2.419 -26.714 25.497 1.00 20.42 ATOM 497 OG1 THR 30 4.293 -27.489 25.204 1.00 13.42 ATOM 498 HG1 THR 30 3.854 -28.350 25.246 1.00 61.30 ATOM 499 CG2 THR 30 2.974 -26.475 23.460 1.00 3.13 ATOM 500 HG21 THR 30 3.858 -26.240 22.884 1.00 75.13 ATOM 501 HG22 THR 30 2.211 -25.737 23.266 1.00 21.25 ATOM 502 HG23 THR 30 2.610 -27.452 23.176 1.00 22.41 ATOM 503 C THR 30 5.140 -24.740 24.702 1.00 52.51 ATOM 504 O THR 30 5.134 -24.363 23.530 1.00 51.12 ATOM 505 N ARG 31 6.265 -24.860 25.408 1.00 73.02 ATOM 506 HN ARG 31 6.222 -25.281 26.296 1.00 37.96 ATOM 507 CA ARG 31 7.565 -24.375 24.903 1.00 31.33 ATOM 508 HA ARG 31 7.440 -23.318 24.706 1.00 3.15 ATOM 509 CB ARG 31 8.655 -24.522 25.986 1.00 75.32 ATOM 510 HB1 ARG 31 8.506 -23.750 26.729 1.00 37.96 ATOM 511 HB2 ARG 31 9.621 -24.371 25.526 1.00 41.40 ATOM 512 CG ARG 31 8.679 -25.873 26.705 1.00 64.04 ATOM 513 HG1 ARG 31 7.663 -26.148 26.960 1.00 37.96 ATOM 514 HG2 ARG 31 9.256 -25.771 27.613 1.00 0.51 ATOM 515 CD ARG 31 9.294 -26.988 25.865 1.00 4.54 ATOM 516 HD1 ARG 31 10.310 -26.715 25.610 1.00 37.96 ATOM 517 HD2 ARG 31 8.715 -27.100 24.960 1.00 45.10 ATOM 518 NE ARG 31 9.304 -28.260 26.585 1.00 43.51 ATOM 519 HE ARG 31 8.480 -28.789 26.576 1.00 35.33 ATOM 520 CZ ARG 31 10.328 -28.718 27.254 1.00 33.51 ATOM 521 NH1 ARG 31 11.447 -28.066 27.280 1.00 22.42 ATOM 522 HH11 ARG 31 11.535 -27.205 26.788 1.00 65.45 ATOM 523 HH12 ARG 31 12.223 -28.430 27.793 1.00 14.34 ATOM 524 NH2 ARG 31 10.230 -29.832 27.899 1.00 13.13 ATOM 525 HH21 ARG 31 9.373 -30.343 27.884 1.00 22.04 ATOM 526 HH22 ARG 31 11.004 -30.172 28.425 1.00 12.55 ATOM 527 C ARG 31 8.006 -25.035 23.577 1.00 14.12 ATOM 528 O ARG 31 8.971 -24.590 22.951 1.00 53.15 ATOM 529 N GLY 32 7.311 -26.088 23.155 1.00 1.03 ATOM 530 HN GLY 32 6.599 -26.448 23.725 1.00 37.96 ATOM 531 CA GLY 32 7.606 -26.726 21.870 1.00 2.43 ATOM 532 HA1 GLY 32 7.834 -27.767 22.048 1.00 37.96 ATOM 533 HA2 GLY 32 8.472 -26.252 21.431 1.00 13.43 ATOM 534 C GLY 32 6.446 -26.640 20.874 1.00 73.43 ATOM 535 O GLY 32 6.273 -27.528 20.035 1.00 74.05 ATOM 536 N ILE 33 5.657 -25.569 20.960 1.00 22.42 ATOM 537 HN ILE 33 5.869 -24.877 21.621 1.00 37.96 ATOM 538 CA ILE 33 4.474 -25.397 20.104 1.00 60.24 ATOM 539 HA ILE 33 3.968 -26.351 20.050 1.00 53.54 ATOM 540 CB ILE 33 3.485 -24.368 20.723 1.00 34.11 ATOM 541 HB ILE 33 3.242 -24.704 21.720 1.00 1.31 ATOM 542 CG1 ILE 33 2.189 -24.292 19.899 1.00 34.23 ATOM 543 HG11 ILE 33 1.752 -25.277 19.839 1.00 37.96 ATOM 544 HG12 ILE 33 2.420 -23.944 18.904 1.00 12.33 ATOM 545 CG2 ILE 33 4.131 -22.986 20.846 1.00 61.13 ATOM 546 HG21 ILE 33 3.441 -22.304 21.323 1.00 2.32 ATOM 547 HG22 ILE 33 4.380 -22.614 19.862 1.00 72.15 ATOM 548 HG23 ILE 33 5.032 -23.060 21.439 1.00 54.12 ATOM 549 CD1 ILE 33 1.147 -23.360 20.483 1.00 2.31 ATOM 550 HD11 ILE 33 1.560 -22.365 20.568 1.00 31.42 ATOM 551 HD12 ILE 33 0.855 -23.713 21.460 1.00 25.52 ATOM 552 HD13 ILE 33 0.282 -23.336 19.835 1.00 1.13 ATOM 553 C ILE 33 4.841 -24.956 18.672 1.00 1.24 ATOM 554 O ILE 33 5.611 -24.017 18.472 1.00 43.52 ATOM 555 N ASN 34 4.288 -25.650 17.677 1.00 42.41 ATOM 556 HN ASN 34 3.757 -26.448 17.888 1.00 37.96 ATOM 557 CA ASN 34 4.469 -25.264 16.273 1.00 40.34 ATOM 558 HA ASN 34 5.352 -24.642 16.209 1.00 33.31 ATOM 559 CB ASN 34 4.671 -26.510 15.397 1.00 53.33 ATOM 560 HB1 ASN 34 3.755 -27.085 15.386 1.00 37.96 ATOM 561 HB2 ASN 34 5.461 -27.113 15.822 1.00 61.12 ATOM 562 CG ASN 34 5.048 -26.173 13.961 1.00 70.33 ATOM 563 OD1 ASN 34 4.822 -25.065 13.480 1.00 15.42 ATOM 564 ND2 ASN 34 5.585 -27.140 13.246 1.00 3.41 ATOM 565 HD21 ASN 34 5.712 -28.016 13.671 1.00 24.12 ATOM 566 HD22 ASN 34 5.825 -26.946 12.317 1.00 75.04 ATOM 567 C ASN 34 3.256 -24.458 15.769 1.00 4.41 ATOM 568 O ASN 34 2.240 -25.028 15.366 1.00 52.24 ATOM 569 N LEU 35 3.365 -23.131 15.803 1.00 25.41 ATOM 570 HN LEU 35 4.187 -22.731 16.158 1.00 37.96 ATOM 571 CA LEU 35 2.281 -22.253 15.336 1.00 63.41 ATOM 572 HA LEU 35 1.369 -22.588 15.810 1.00 51.54 ATOM 573 CB LEU 35 2.545 -20.799 15.756 1.00 54.54 ATOM 574 HB1 LEU 35 1.790 -20.172 15.298 1.00 37.96 ATOM 575 HB2 LEU 35 3.512 -20.506 15.367 1.00 42.42 ATOM 576 CG LEU 35 2.533 -20.533 17.272 1.00 53.43 ATOM 577 HG LEU 35 3.276 -21.161 17.744 1.00 3.45 ATOM 578 CD1 LEU 35 2.895 -19.078 17.570 1.00 34.44 ATOM 579 HD11 LEU 35 3.887 -18.868 17.194 1.00 71.12 ATOM 580 HD12 LEU 35 2.875 -18.911 18.638 1.00 12.03 ATOM 581 HD13 LEU 35 2.183 -18.421 17.090 1.00 40.32 ATOM 582 CD2 LEU 35 1.169 -20.881 17.872 1.00 74.42 ATOM 583 HD21 LEU 35 0.403 -20.276 17.408 1.00 63.42 ATOM 584 HD22 LEU 35 1.182 -20.690 18.936 1.00 52.12 ATOM 585 HD23 LEU 35 0.954 -21.926 17.699 1.00 52.25 ATOM 586 C LEU 35 2.092 -22.334 13.809 1.00 60.34 ATOM 587 O LEU 35 0.980 -22.171 13.305 1.00 4.43 ATOM 588 N ARG 36 3.177 -22.591 13.077 1.00 55.40 ATOM 589 HN ARG 36 4.038 -22.725 13.529 1.00 37.96 ATOM 590 CA ARG 36 3.108 -22.696 11.613 1.00 72.11 ATOM 591 HA ARG 36 2.638 -21.795 11.246 1.00 24.54 ATOM 592 CB ARG 36 4.514 -22.800 11.001 1.00 32.10 ATOM 593 HB1 ARG 36 5.049 -23.605 11.488 1.00 37.96 ATOM 594 HB2 ARG 36 5.042 -21.872 11.177 1.00 43.54 ATOM 595 CG ARG 36 4.502 -23.072 9.497 1.00 2.44 ATOM 596 HG1 ARG 36 3.927 -22.297 9.007 1.00 37.96 ATOM 597 HG2 ARG 36 4.032 -24.029 9.322 1.00 43.53 ATOM 598 CD ARG 36 5.904 -23.102 8.898 1.00 22.52 ATOM 599 HD1 ARG 36 6.531 -23.735 9.507 1.00 37.96 ATOM 600 HD2 ARG 36 6.304 -22.096 8.893 1.00 70.31 ATOM 601 NE ARG 36 5.891 -23.622 7.532 1.00 23.54 ATOM 602 HE ARG 36 5.291 -24.373 7.345 1.00 21.31 ATOM 603 CZ ARG 36 6.637 -23.174 6.558 1.00 64.33 ATOM 604 NH1 ARG 36 7.416 -22.151 6.730 1.00 51.12 ATOM 605 HH11 ARG 36 7.446 -21.690 7.612 1.00 73.44 ATOM 606 HH12 ARG 36 7.989 -21.832 5.979 1.00 34.33 ATOM 607 NH2 ARG 36 6.591 -23.744 5.400 1.00 30.54 ATOM 608 HH21 ARG 36 5.992 -24.528 5.254 1.00 34.51 ATOM 609 HH22 ARG 36 7.144 -23.394 4.649 1.00 34.15 ATOM 610 C ARG 36 2.254 -23.896 11.179 1.00 4.14 ATOM 611 O ARG 36 1.400 -23.773 10.302 1.00 30.02 ATOM 612 N LYS 37 2.484 -25.050 11.804 1.00 22.32 ATOM 613 HN LYS 37 3.200 -25.093 12.472 1.00 37.96 ATOM 614 CA LYS 37 1.710 -26.263 11.516 1.00 4.15 ATOM 615 HA LYS 37 1.902 -26.540 10.489 1.00 2.01 ATOM 616 CB LYS 37 2.182 -27.401 12.440 1.00 25.43 ATOM 617 HB1 LYS 37 1.864 -27.181 13.449 1.00 37.96 ATOM 618 HB2 LYS 37 3.261 -27.431 12.420 1.00 11.31 ATOM 619 CG LYS 37 1.668 -28.793 12.079 1.00 61.21 ATOM 620 HG1 LYS 37 2.359 -29.528 12.472 1.00 37.96 ATOM 621 HG2 LYS 37 1.627 -28.884 11.004 1.00 23.11 ATOM 622 CD LYS 37 0.278 -29.071 12.648 1.00 52.21 ATOM 623 HD1 LYS 37 -0.448 -28.482 12.107 1.00 37.96 ATOM 624 HD2 LYS 37 0.264 -28.791 13.692 1.00 74.44 ATOM 625 CE LYS 37 -0.083 -30.544 12.520 1.00 24.23 ATOM 626 HE1 LYS 37 0.688 -31.128 12.999 1.00 37.96 ATOM 627 HE2 LYS 37 -0.127 -30.800 11.472 1.00 64.53 ATOM 628 NZ LYS 37 -1.390 -30.864 13.149 1.00 43.45 ATOM 629 HZ1 LYS 37 -2.144 -30.298 12.718 1.00 53.41 ATOM 630 HZ2 LYS 37 -1.356 -30.665 14.169 1.00 31.53 ATOM 631 HZ3 LYS 37 -1.611 -31.872 13.014 1.00 23.43 ATOM 632 C LYS 37 0.205 -25.994 11.682 1.00 55.31 ATOM 633 O LYS 37 -0.613 -26.481 10.902 1.00 45.22 ATOM 634 N ILE 38 -0.145 -25.199 12.692 1.00 12.35 ATOM 635 HN ILE 38 0.546 -24.898 13.322 1.00 37.96 ATOM 636 CA ILE 38 -1.530 -24.764 12.895 1.00 74.13 ATOM 637 HA ILE 38 -2.154 -25.647 12.955 1.00 22.12 ATOM 638 CB ILE 38 -1.676 -23.970 14.218 1.00 21.33 ATOM 639 HB ILE 38 -1.085 -23.070 14.131 1.00 11.41 ATOM 640 CG1 ILE 38 -1.151 -24.797 15.403 1.00 33.25 ATOM 641 HG11 ILE 38 -1.294 -24.235 16.317 1.00 37.96 ATOM 642 HG12 ILE 38 -0.096 -24.982 15.265 1.00 43.22 ATOM 643 CG2 ILE 38 -3.128 -23.555 14.450 1.00 30.23 ATOM 644 HG21 ILE 38 -3.454 -22.910 13.646 1.00 73.11 ATOM 645 HG22 ILE 38 -3.207 -23.026 15.389 1.00 4.14 ATOM 646 HG23 ILE 38 -3.757 -24.435 14.481 1.00 71.32 ATOM 647 CD1 ILE 38 -1.835 -26.139 15.570 1.00 75.31 ATOM 648 HD11 ILE 38 -1.442 -26.634 16.445 1.00 31.24 ATOM 649 HD12 ILE 38 -1.650 -26.750 14.699 1.00 32.03 ATOM 650 HD13 ILE 38 -2.899 -25.991 15.688 1.00 62.54 ATOM 651 C ILE 38 -2.008 -23.887 11.726 1.00 31.34 ATOM 652 O ILE 38 -3.068 -24.127 11.146 1.00 2.24 ATOM 653 N ALA 39 -1.204 -22.880 11.378 1.00 64.12 ATOM 654 HN ALA 39 -0.375 -22.741 11.883 1.00 37.96 ATOM 655 CA ALA 39 -1.521 -21.970 10.270 1.00 1.35 ATOM 656 HA ALA 39 -2.450 -21.469 10.509 1.00 75.34 ATOM 657 CB ALA 39 -0.433 -20.907 10.139 1.00 53.10 ATOM 658 HB1 ALA 39 -0.304 -20.402 11.086 1.00 73.35 ATOM 659 HB2 ALA 39 -0.719 -20.186 9.386 1.00 51.31 ATOM 660 HB3 ALA 39 0.498 -21.375 9.853 1.00 54.21 ATOM 661 C ALA 39 -1.690 -22.723 8.940 1.00 61.24 ATOM 662 O ALA 39 -2.529 -22.363 8.114 1.00 53.02 ATOM 663 N GLU 40 -0.889 -23.767 8.738 1.00 23.12 ATOM 664 HN GLU 40 -0.227 -23.994 9.424 1.00 37.96 ATOM 665 CA GLU 40 -0.959 -24.580 7.517 1.00 21.20 ATOM 666 HA GLU 40 -0.995 -23.898 6.680 1.00 4.14 ATOM 667 CB GLU 40 0.294 -25.457 7.375 1.00 71.23 ATOM 668 HB1 GLU 40 0.183 -26.084 6.500 1.00 37.96 ATOM 669 HB2 GLU 40 0.381 -26.089 8.249 1.00 73.40 ATOM 670 CG GLU 40 1.589 -24.657 7.231 1.00 64.33 ATOM 671 HG1 GLU 40 1.810 -24.186 8.178 1.00 37.96 ATOM 672 HG2 GLU 40 1.444 -23.894 6.478 1.00 1.10 ATOM 673 CD GLU 40 2.776 -25.517 6.823 1.00 73.53 ATOM 674 OE1 GLU 40 2.807 -25.968 5.657 1.00 61.01 ATOM 675 OE2 GLU 40 3.681 -25.742 7.655 1.00 11.11 ATOM 676 C GLU 40 -2.227 -25.450 7.478 1.00 43.13 ATOM 677 O GLU 40 -2.580 -26.002 6.433 1.00 73.04 ATOM 678 N LEU 41 -2.897 -25.585 8.621 1.00 54.24 ATOM 679 HN LEU 41 -2.523 -25.192 9.439 1.00 37.96 ATOM 680 CA LEU 41 -4.175 -26.309 8.697 1.00 41.24 ATOM 681 HA LEU 41 -4.151 -27.106 7.967 1.00 44.22 ATOM 682 CB LEU 41 -4.359 -26.920 10.094 1.00 14.41 ATOM 683 HB1 LEU 41 -5.350 -27.352 10.148 1.00 37.96 ATOM 684 HB2 LEU 41 -4.297 -26.120 10.820 1.00 65.20 ATOM 685 CG LEU 41 -3.341 -28.005 10.482 1.00 10.54 ATOM 686 HG LEU 41 -2.345 -27.594 10.411 1.00 62.42 ATOM 687 CD1 LEU 41 -3.554 -28.459 11.922 1.00 51.21 ATOM 688 HD11 LEU 41 -2.821 -29.212 12.173 1.00 63.22 ATOM 689 HD12 LEU 41 -4.546 -28.875 12.029 1.00 65.54 ATOM 690 HD13 LEU 41 -3.443 -27.616 12.588 1.00 42.15 ATOM 691 CD2 LEU 41 -3.429 -29.196 9.530 1.00 60.41 ATOM 692 HD21 LEU 41 -3.224 -28.869 8.521 1.00 43.41 ATOM 693 HD22 LEU 41 -4.420 -29.624 9.575 1.00 73.34 ATOM 694 HD23 LEU 41 -2.703 -29.943 9.819 1.00 32.21 ATOM 695 C LEU 41 -5.366 -25.387 8.381 1.00 63.44 ATOM 696 O LEU 41 -6.503 -25.846 8.267 1.00 63.14 ATOM 697 N MET 42 -5.097 -24.086 8.246 1.00 34.33 ATOM 698 HN MET 42 -4.168 -23.784 8.334 1.00 37.96 ATOM 699 CA MET 42 -6.146 -23.092 7.973 1.00 54.42 ATOM 700 HA MET 42 -7.104 -23.592 8.026 1.00 10.35 ATOM 701 CB MET 42 -6.107 -21.985 9.038 1.00 61.34 ATOM 702 HB1 MET 42 -6.952 -21.328 8.889 1.00 37.96 ATOM 703 HB2 MET 42 -5.195 -21.415 8.918 1.00 54.11 ATOM 704 CG MET 42 -6.157 -22.510 10.468 1.00 32.30 ATOM 705 HG1 MET 42 -5.313 -23.168 10.625 1.00 37.96 ATOM 706 HG2 MET 42 -7.072 -23.069 10.601 1.00 64.24 ATOM 707 SD MET 42 -6.101 -21.196 11.702 1.00 52.34 ATOM 708 CE MET 42 -7.626 -20.328 11.351 1.00 4.02 ATOM 709 HE1 MET 42 -7.748 -19.519 12.055 1.00 35.41 ATOM 710 HE2 MET 42 -8.460 -21.010 11.438 1.00 42.24 ATOM 711 HE3 MET 42 -7.591 -19.929 10.348 1.00 74.32 ATOM 712 C MET 42 -5.984 -22.481 6.566 1.00 63.04 ATOM 713 O MET 42 -5.348 -21.437 6.401 1.00 54.15 ATOM 714 N PRO 43 -6.555 -23.126 5.528 1.00 20.35 ATOM 715 CA PRO 43 -6.393 -22.680 4.132 1.00 64.12 ATOM 716 HA PRO 43 -5.347 -22.558 3.886 1.00 2.45 ATOM 717 CB PRO 43 -6.971 -23.848 3.319 1.00 12.10 ATOM 718 HB1 PRO 43 -6.176 -24.529 3.046 1.00 37.96 ATOM 719 HB2 PRO 43 -7.451 -23.472 2.425 1.00 22.41 ATOM 720 CG PRO 43 -7.951 -24.499 4.238 1.00 41.34 ATOM 721 HG1 PRO 43 -8.049 -25.547 3.989 1.00 37.96 ATOM 722 HG2 PRO 43 -8.910 -24.005 4.161 1.00 72.22 ATOM 723 CD PRO 43 -7.390 -24.341 5.627 1.00 53.42 ATOM 724 HD1 PRO 43 -6.788 -25.199 5.893 1.00 37.96 ATOM 725 HD2 PRO 43 -8.187 -24.203 6.344 1.00 24.21 ATOM 726 C PRO 43 -7.132 -21.364 3.816 1.00 22.33 ATOM 727 O PRO 43 -8.359 -21.335 3.680 1.00 74.54 ATOM 728 N GLY 44 -6.370 -20.273 3.708 1.00 5.13 ATOM 729 HN GLY 44 -5.403 -20.352 3.858 1.00 37.96 ATOM 730 CA GLY 44 -6.943 -18.973 3.364 1.00 32.51 ATOM 731 HA1 GLY 44 -7.466 -19.065 2.422 1.00 37.96 ATOM 732 HA2 GLY 44 -6.138 -18.266 3.242 1.00 14.54 ATOM 733 C GLY 44 -7.913 -18.428 4.414 1.00 55.14 ATOM 734 O GLY 44 -8.825 -17.669 4.087 1.00 45.41 ATOM 735 N ALA 45 -7.715 -18.814 5.671 1.00 4.13 ATOM 736 HN ALA 45 -6.971 -19.420 5.870 1.00 37.96 ATOM 737 CA ALA 45 -8.581 -18.362 6.769 1.00 72.42 ATOM 738 HA ALA 45 -9.609 -18.499 6.459 1.00 72.43 ATOM 739 CB ALA 45 -8.347 -19.221 8.004 1.00 35.03 ATOM 740 HB1 ALA 45 -9.029 -18.922 8.788 1.00 71.53 ATOM 741 HB2 ALA 45 -7.330 -19.095 8.346 1.00 33.14 ATOM 742 HB3 ALA 45 -8.516 -20.259 7.758 1.00 63.12 ATOM 743 C ALA 45 -8.360 -16.876 7.104 1.00 43.32 ATOM 744 O ALA 45 -7.267 -16.341 6.918 1.00 11.15 ATOM 745 N SER 46 -9.408 -16.218 7.597 1.00 75.42 ATOM 746 HN SER 46 -10.251 -16.699 7.727 1.00 37.96 ATOM 747 CA SER 46 -9.340 -14.791 7.952 1.00 53.51 ATOM 748 HA SER 46 -8.623 -14.318 7.295 1.00 12.52 ATOM 749 CB SER 46 -10.709 -14.127 7.754 1.00 11.22 ATOM 750 HB1 SER 46 -11.034 -14.275 6.733 1.00 37.96 ATOM 751 HB2 SER 46 -10.628 -13.069 7.955 1.00 74.05 ATOM 752 OG SER 46 -11.681 -14.685 8.628 1.00 3.35 ATOM 753 HG SER 46 -12.372 -15.117 8.109 1.00 65.01 ATOM 754 C SER 46 -8.890 -14.585 9.405 1.00 64.14 ATOM 755 O SER 46 -8.857 -15.532 10.197 1.00 1.14 ATOM 756 N GLY 47 -8.553 -13.341 9.753 1.00 71.45 ATOM 757 HN GLY 47 -8.572 -12.630 9.076 1.00 37.96 ATOM 758 CA GLY 47 -8.148 -13.023 11.119 1.00 52.53 ATOM 759 HA1 GLY 47 -7.945 -11.964 11.186 1.00 37.96 ATOM 760 HA2 GLY 47 -7.243 -13.564 11.345 1.00 4.52 ATOM 761 C GLY 47 -9.204 -13.390 12.156 1.00 2.22 ATOM 762 O GLY 47 -8.875 -13.774 13.281 1.00 31.11 ATOM 763 N ALA 48 -10.475 -13.271 11.776 1.00 23.02 ATOM 764 HN ALA 48 -10.670 -12.893 10.891 1.00 37.96 ATOM 765 CA ALA 48 -11.587 -13.675 12.638 1.00 63.42 ATOM 766 HA ALA 48 -11.512 -13.118 13.563 1.00 3.43 ATOM 767 CB ALA 48 -12.919 -13.324 11.979 1.00 52.34 ATOM 768 HB1 ALA 48 -12.937 -12.269 11.746 1.00 15.43 ATOM 769 HB2 ALA 48 -13.730 -13.556 12.653 1.00 1.35 ATOM 770 HB3 ALA 48 -13.033 -13.895 11.068 1.00 34.51 ATOM 771 C ALA 48 -11.521 -15.178 12.956 1.00 0.33 ATOM 772 O ALA 48 -11.643 -15.587 14.111 1.00 71.21 ATOM 773 N GLU 49 -11.304 -15.989 11.920 1.00 21.11 ATOM 774 HN GLU 49 -11.228 -15.602 11.021 1.00 37.96 ATOM 775 CA GLU 49 -11.178 -17.445 12.083 1.00 43.45 ATOM 776 HA GLU 49 -12.086 -17.809 12.546 1.00 53.35 ATOM 777 CB GLU 49 -11.009 -18.120 10.713 1.00 52.43 ATOM 778 HB1 GLU 49 -11.006 -19.192 10.851 1.00 37.96 ATOM 779 HB2 GLU 49 -10.059 -17.820 10.293 1.00 62.21 ATOM 780 CG GLU 49 -12.103 -17.773 9.704 1.00 31.41 ATOM 781 HG1 GLU 49 -11.852 -18.226 8.754 1.00 37.96 ATOM 782 HG2 GLU 49 -12.135 -16.700 9.586 1.00 53.32 ATOM 783 CD GLU 49 -13.487 -18.254 10.123 1.00 51.31 ATOM 784 OE1 GLU 49 -13.927 -19.317 9.641 1.00 45.34 ATOM 785 OE2 GLU 49 -14.151 -17.563 10.927 1.00 62.50 ATOM 786 C GLU 49 -9.983 -17.794 12.985 1.00 25.13 ATOM 787 O GLU 49 -10.081 -18.649 13.867 1.00 24.44 ATOM 788 N VAL 50 -8.855 -17.119 12.754 1.00 63.12 ATOM 789 HN VAL 50 -8.836 -16.470 12.016 1.00 37.96 ATOM 790 CA VAL 50 -7.643 -17.318 13.562 1.00 50.03 ATOM 791 HA VAL 50 -7.378 -18.366 13.503 1.00 32.21 ATOM 792 CB VAL 50 -6.457 -16.485 13.014 1.00 13.33 ATOM 793 HB VAL 50 -6.716 -15.437 13.092 1.00 31.04 ATOM 794 CG1 VAL 50 -5.190 -16.720 13.838 1.00 32.11 ATOM 795 HG11 VAL 50 -4.939 -17.771 13.826 1.00 52.31 ATOM 796 HG12 VAL 50 -5.359 -16.404 14.858 1.00 32.53 ATOM 797 HG13 VAL 50 -4.373 -16.151 13.418 1.00 61.05 ATOM 798 CG2 VAL 50 -6.214 -16.803 11.540 1.00 65.12 ATOM 799 HG21 VAL 50 -5.396 -16.201 11.170 1.00 32.40 ATOM 800 HG22 VAL 50 -7.107 -16.583 10.973 1.00 25.22 ATOM 801 HG23 VAL 50 -5.969 -17.850 11.432 1.00 10.23 ATOM 802 C VAL 50 -7.886 -16.952 15.037 1.00 62.40 ATOM 803 O VAL 50 -7.464 -17.670 15.948 1.00 35.42 ATOM 804 N LYS 51 -8.572 -15.833 15.268 1.00 65.30 ATOM 805 HN LYS 51 -8.845 -15.275 14.506 1.00 37.96 ATOM 806 CA LYS 51 -8.926 -15.416 16.627 1.00 51.41 ATOM 807 HA LYS 51 -8.013 -15.382 17.207 1.00 41.40 ATOM 808 CB LYS 51 -9.558 -14.017 16.617 1.00 42.15 ATOM 809 HB1 LYS 51 -10.468 -14.048 16.033 1.00 37.96 ATOM 810 HB2 LYS 51 -8.868 -13.329 16.151 1.00 14.30 ATOM 811 CG LYS 51 -9.897 -13.486 18.008 1.00 61.32 ATOM 812 HG1 LYS 51 -9.003 -13.509 18.616 1.00 37.96 ATOM 813 HG2 LYS 51 -10.648 -14.125 18.454 1.00 15.20 ATOM 814 CD LYS 51 -10.425 -12.055 17.962 1.00 72.40 ATOM 815 HD1 LYS 51 -9.680 -11.424 17.498 1.00 37.96 ATOM 816 HD2 LYS 51 -10.601 -11.715 18.973 1.00 73.41 ATOM 817 CE LYS 51 -11.726 -11.943 17.175 1.00 73.21 ATOM 818 HE1 LYS 51 -12.478 -12.552 17.656 1.00 37.96 ATOM 819 HE2 LYS 51 -11.560 -12.303 16.170 1.00 40.24 ATOM 820 NZ LYS 51 -12.211 -10.539 17.111 1.00 44.31 ATOM 821 HZ1 LYS 51 -13.104 -10.492 16.581 1.00 64.42 ATOM 822 HZ2 LYS 51 -11.510 -9.936 16.637 1.00 74.31 ATOM 823 HZ3 LYS 51 -12.376 -10.171 18.071 1.00 23.11 ATOM 824 C LYS 51 -9.880 -16.431 17.275 1.00 33.00 ATOM 825 O LYS 51 -9.786 -16.715 18.471 1.00 5.31 ATOM 826 N GLY 52 -10.789 -16.983 16.470 1.00 2.54 ATOM 827 HN GLY 52 -10.864 -16.663 15.546 1.00 37.96 ATOM 828 CA GLY 52 -11.673 -18.041 16.944 1.00 1.42 ATOM 829 HA1 GLY 52 -12.332 -18.331 16.139 1.00 37.96 ATOM 830 HA2 GLY 52 -12.267 -17.659 17.763 1.00 1.33 ATOM 831 C GLY 52 -10.906 -19.270 17.417 1.00 22.40 ATOM 832 O GLY 52 -11.170 -19.799 18.496 1.00 0.24 ATOM 833 N VAL 53 -9.944 -19.715 16.607 1.00 51.11 ATOM 834 HN VAL 53 -9.819 -19.280 15.736 1.00 37.96 ATOM 835 CA VAL 53 -9.068 -20.835 16.976 1.00 22.44 ATOM 836 HA VAL 53 -9.688 -21.712 17.099 1.00 34.11 ATOM 837 CB VAL 53 -8.027 -21.125 15.861 1.00 2.00 ATOM 838 HB VAL 53 -7.470 -20.217 15.674 1.00 21.44 ATOM 839 CG1 VAL 53 -7.035 -22.207 16.295 1.00 35.02 ATOM 840 HG11 VAL 53 -6.514 -21.883 17.184 1.00 41.10 ATOM 841 HG12 VAL 53 -6.320 -22.381 15.504 1.00 21.44 ATOM 842 HG13 VAL 53 -7.569 -23.124 16.506 1.00 54.41 ATOM 843 CG2 VAL 53 -8.729 -21.527 14.564 1.00 42.30 ATOM 844 HG21 VAL 53 -9.320 -22.416 14.732 1.00 74.14 ATOM 845 HG22 VAL 53 -7.991 -21.726 13.799 1.00 60.40 ATOM 846 HG23 VAL 53 -9.373 -20.723 14.239 1.00 12.45 ATOM 847 C VAL 53 -8.334 -20.559 18.300 1.00 63.11 ATOM 848 O VAL 53 -8.284 -21.415 19.184 1.00 73.21 ATOM 849 N CYS 54 -7.775 -19.356 18.425 1.00 23.11 ATOM 850 HN CYS 54 -7.824 -18.731 17.671 1.00 37.96 ATOM 851 CA CYS 54 -7.082 -18.936 19.654 1.00 31.43 ATOM 852 HA CYS 54 -6.244 -19.602 19.805 1.00 13.04 ATOM 853 CB CYS 54 -6.554 -17.503 19.498 1.00 33.45 ATOM 854 HB1 CYS 54 -7.373 -16.854 19.216 1.00 37.96 ATOM 855 HB2 CYS 54 -5.808 -17.484 18.718 1.00 24.11 ATOM 856 SG CYS 54 -5.800 -16.815 20.991 1.00 40.52 ATOM 857 HG CYS 54 -6.712 -16.053 21.581 1.00 13.32 ATOM 858 C CYS 54 -8.004 -19.020 20.880 1.00 22.13 ATOM 859 O CYS 54 -7.631 -19.570 21.920 1.00 14.11 ATOM 860 N THR 55 -9.216 -18.484 20.742 1.00 44.00 ATOM 861 HN THR 55 -9.451 -18.059 19.890 1.00 37.96 ATOM 862 CA THR 55 -10.208 -18.505 21.825 1.00 45.34 ATOM 863 HA THR 55 -9.768 -18.018 22.684 1.00 44.43 ATOM 864 CB THR 55 -11.493 -17.728 21.436 1.00 42.30 ATOM 865 HB THR 55 -11.959 -18.228 20.598 1.00 64.04 ATOM 866 OG1 THR 55 -11.161 -16.383 21.047 1.00 1.32 ATOM 867 HG1 THR 55 -11.234 -15.803 21.815 1.00 10.11 ATOM 868 CG2 THR 55 -12.488 -17.689 22.595 1.00 31.33 ATOM 869 HG21 THR 55 -12.043 -17.179 23.437 1.00 54.01 ATOM 870 HG22 THR 55 -12.748 -18.698 22.883 1.00 43.52 ATOM 871 HG23 THR 55 -13.382 -17.164 22.288 1.00 30.12 ATOM 872 C THR 55 -10.592 -19.942 22.211 1.00 34.42 ATOM 873 O THR 55 -10.599 -20.303 23.392 1.00 64.14 ATOM 874 N GLU 56 -10.905 -20.760 21.207 1.00 35.43 ATOM 875 HN GLU 56 -10.871 -20.419 20.287 1.00 37.96 ATOM 876 CA GLU 56 -11.300 -22.155 21.437 1.00 40.12 ATOM 877 HA GLU 56 -12.106 -22.147 22.160 1.00 5.11 ATOM 878 CB GLU 56 -11.819 -22.787 20.139 1.00 21.41 ATOM 879 HB1 GLU 56 -12.048 -23.827 20.324 1.00 37.96 ATOM 880 HB2 GLU 56 -11.043 -22.727 19.388 1.00 74.54 ATOM 881 CG GLU 56 -13.073 -22.111 19.590 1.00 23.32 ATOM 882 HG1 GLU 56 -13.366 -22.613 18.678 1.00 37.96 ATOM 883 HG2 GLU 56 -12.842 -21.078 19.367 1.00 33.45 ATOM 884 CD GLU 56 -14.241 -22.151 20.567 1.00 14.13 ATOM 885 OE1 GLU 56 -15.019 -23.128 20.534 1.00 4.22 ATOM 886 OE2 GLU 56 -14.389 -21.208 21.372 1.00 1.34 ATOM 887 C GLU 56 -10.145 -22.984 22.016 1.00 53.24 ATOM 888 O GLU 56 -10.363 -23.867 22.848 1.00 33.01 ATOM 889 N ALA 57 -8.920 -22.694 21.585 1.00 14.10 ATOM 890 HN ALA 57 -8.809 -22.032 20.869 1.00 37.96 ATOM 891 CA ALA 57 -7.730 -23.344 22.147 1.00 72.43 ATOM 892 HA ALA 57 -7.794 -24.401 21.926 1.00 3.41 ATOM 893 CB ALA 57 -6.467 -22.794 21.494 1.00 35.52 ATOM 894 HB1 ALA 57 -5.603 -23.302 21.895 1.00 1.32 ATOM 895 HB2 ALA 57 -6.388 -21.735 21.696 1.00 72.05 ATOM 896 HB3 ALA 57 -6.514 -22.953 20.426 1.00 21.13 ATOM 897 C ALA 57 -7.675 -23.155 23.670 1.00 32.11 ATOM 898 O ALA 57 -7.402 -24.097 24.420 1.00 33.23 ATOM 899 N GLY 58 -7.950 -21.928 24.118 1.00 24.22 ATOM 900 HN GLY 58 -8.081 -21.199 23.471 1.00 37.96 ATOM 901 CA GLY 58 -8.043 -21.651 25.548 1.00 50.14 ATOM 902 HA1 GLY 58 -8.258 -20.601 25.686 1.00 37.96 ATOM 903 HA2 GLY 58 -7.092 -21.874 26.008 1.00 63.42 ATOM 904 C GLY 58 -9.133 -22.473 26.235 1.00 52.20 ATOM 905 O GLY 58 -8.976 -22.888 27.382 1.00 5.44 ATOM 906 N MET 59 -10.238 -22.711 25.524 1.00 52.41 ATOM 907 HN MET 59 -10.322 -22.307 24.634 1.00 37.96 ATOM 908 CA MET 59 -11.328 -23.558 26.030 1.00 45.44 ATOM 909 HA MET 59 -11.678 -23.135 26.960 1.00 62.05 ATOM 910 CB MET 59 -12.489 -23.590 25.021 1.00 1.44 ATOM 911 HB1 MET 59 -13.276 -24.213 25.421 1.00 37.96 ATOM 912 HB2 MET 59 -12.135 -24.030 24.100 1.00 70.12 ATOM 913 CG MET 59 -13.090 -22.223 24.695 1.00 35.15 ATOM 914 HG1 MET 59 -13.449 -22.239 23.674 1.00 37.96 ATOM 915 HG2 MET 59 -12.317 -21.474 24.786 1.00 43.10 ATOM 916 SD MET 59 -14.464 -21.764 25.782 1.00 14.43 ATOM 917 CE MET 59 -13.629 -21.487 27.344 1.00 64.14 ATOM 918 HE1 MET 59 -14.349 -21.159 28.080 1.00 5.12 ATOM 919 HE2 MET 59 -12.869 -20.729 27.220 1.00 61.55 ATOM 920 HE3 MET 59 -13.171 -22.406 27.675 1.00 71.12 ATOM 921 C MET 59 -10.830 -24.989 26.290 1.00 33.43 ATOM 922 O MET 59 -11.077 -25.567 27.352 1.00 75.44 ATOM 923 N TYR 60 -10.116 -25.546 25.308 1.00 42.21 ATOM 924 HN TYR 60 -9.972 -25.037 24.481 1.00 37.96 ATOM 925 CA TYR 60 -9.539 -26.893 25.425 1.00 21.11 ATOM 926 HA TYR 60 -10.348 -27.581 25.625 1.00 51.24 ATOM 927 CB TYR 60 -8.852 -27.304 24.113 1.00 44.45 ATOM 928 HB1 TYR 60 -8.312 -28.228 24.274 1.00 37.96 ATOM 929 HB2 TYR 60 -8.150 -26.533 23.828 1.00 34.12 ATOM 930 CG TYR 60 -9.804 -27.521 22.946 1.00 1.34 ATOM 931 CD1 TYR 60 -9.858 -26.624 21.886 1.00 22.23 ATOM 932 HD1 TYR 60 -9.214 -25.755 21.899 1.00 41.44 ATOM 933 CD2 TYR 60 -10.641 -28.630 22.906 1.00 0.34 ATOM 934 HD2 TYR 60 -10.614 -29.339 23.722 1.00 13.41 ATOM 935 CE1 TYR 60 -10.717 -26.823 20.823 1.00 52.25 ATOM 936 HE1 TYR 60 -10.743 -26.112 20.011 1.00 4.55 ATOM 937 CE2 TYR 60 -11.506 -28.835 21.845 1.00 54.44 ATOM 938 HE2 TYR 60 -12.151 -29.700 21.837 1.00 32.41 ATOM 939 CZ TYR 60 -11.540 -27.928 20.807 1.00 72.24 ATOM 940 OH TYR 60 -12.391 -28.128 19.743 1.00 33.45 ATOM 941 HH TYR 60 -11.900 -28.028 18.921 1.00 24.45 ATOM 942 C TYR 60 -8.528 -26.980 26.581 1.00 12.13 ATOM 943 O TYR 60 -8.428 -28.004 27.256 1.00 0.52 ATOM 944 N ALA 61 -7.777 -25.905 26.800 1.00 11.20 ATOM 945 HN ALA 61 -7.868 -25.132 26.203 1.00 37.96 ATOM 946 CA ALA 61 -6.800 -25.854 27.895 1.00 21.23 ATOM 947 HA ALA 61 -6.218 -26.767 27.862 1.00 12.41 ATOM 948 CB ALA 61 -5.846 -24.683 27.687 1.00 33.53 ATOM 949 HB1 ALA 61 -5.064 -24.713 28.433 1.00 64.43 ATOM 950 HB2 ALA 61 -6.390 -23.753 27.777 1.00 10.42 ATOM 951 HB3 ALA 61 -5.406 -24.746 26.702 1.00 64.43 ATOM 952 C ALA 61 -7.482 -25.758 29.274 1.00 15.32 ATOM 953 O ALA 61 -7.186 -26.537 30.186 1.00 4.43 ATOM 954 N LEU 62 -8.408 -24.807 29.414 1.00 51.21 ATOM 955 HN LEU 62 -8.630 -24.250 28.640 1.00 37.96 ATOM 956 CA LEU 62 -9.094 -24.562 30.692 1.00 62.10 ATOM 957 HA LEU 62 -8.329 -24.376 31.432 1.00 51.15 ATOM 958 CB LEU 62 -9.991 -23.317 30.598 1.00 52.45 ATOM 959 HB1 LEU 62 -10.563 -23.243 31.512 1.00 37.96 ATOM 960 HB2 LEU 62 -10.678 -23.457 29.775 1.00 11.23 ATOM 961 CG LEU 62 -9.248 -21.984 30.389 1.00 12.33 ATOM 962 HG LEU 62 -8.722 -22.021 29.445 1.00 4.33 ATOM 963 CD1 LEU 62 -10.238 -20.822 30.324 1.00 1.23 ATOM 964 HD11 LEU 62 -10.787 -20.761 31.253 1.00 44.22 ATOM 965 HD12 LEU 62 -10.930 -20.981 29.508 1.00 15.04 ATOM 966 HD13 LEU 62 -9.701 -19.899 30.162 1.00 54.00 ATOM 967 CD2 LEU 62 -8.215 -21.759 31.497 1.00 62.34 ATOM 968 HD21 LEU 62 -8.713 -21.718 32.456 1.00 64.14 ATOM 969 HD22 LEU 62 -7.694 -20.828 31.324 1.00 54.40 ATOM 970 HD23 LEU 62 -7.502 -22.571 31.498 1.00 3.52 ATOM 971 C LEU 62 -9.923 -25.770 31.155 1.00 22.32 ATOM 972 O LEU 62 -9.898 -26.124 32.336 1.00 22.34 ATOM 973 N ARG 63 -10.651 -26.403 30.234 1.00 30.10 ATOM 974 HN ARG 63 -10.653 -26.072 29.310 1.00 37.96 ATOM 975 CA ARG 63 -11.455 -27.585 30.576 1.00 72.15 ATOM 976 HA ARG 63 -12.186 -27.286 31.316 1.00 53.14 ATOM 977 CB ARG 63 -12.189 -28.125 29.335 1.00 61.20 ATOM 978 HB1 ARG 63 -12.731 -27.314 28.870 1.00 37.96 ATOM 979 HB2 ARG 63 -12.895 -28.883 29.650 1.00 25.21 ATOM 980 CG ARG 63 -11.253 -28.738 28.296 1.00 51.41 ATOM 981 HG1 ARG 63 -10.602 -29.446 28.792 1.00 37.96 ATOM 982 HG2 ARG 63 -10.654 -27.951 27.861 1.00 0.33 ATOM 983 CD ARG 63 -11.993 -29.460 27.173 1.00 34.24 ATOM 984 HD1 ARG 63 -12.477 -28.729 26.540 1.00 37.96 ATOM 985 HD2 ARG 63 -12.738 -30.114 27.605 1.00 43.53 ATOM 986 NE ARG 63 -11.071 -30.255 26.362 1.00 63.53 ATOM 987 HE ARG 63 -10.118 -30.194 26.579 1.00 74.13 ATOM 988 CZ ARG 63 -11.428 -31.058 25.399 1.00 45.13 ATOM 989 NH1 ARG 63 -12.669 -31.159 25.041 1.00 61.21 ATOM 990 HH11 ARG 63 -13.370 -30.616 25.501 1.00 13.40 ATOM 991 HH12 ARG 63 -12.925 -31.780 24.305 1.00 70.34 ATOM 992 NH2 ARG 63 -10.528 -31.756 24.785 1.00 34.24 ATOM 993 HH21 ARG 63 -9.569 -31.674 25.056 1.00 21.02 ATOM 994 HH22 ARG 63 -10.791 -32.374 24.047 1.00 14.32 ATOM 995 C ARG 63 -10.572 -28.697 31.172 1.00 35.13 ATOM 996 O ARG 63 -11.009 -29.467 32.023 1.00 31.13 ATOM 997 N GLU 64 -9.314 -28.748 30.723 1.00 24.14 ATOM 998 HN GLU 64 -9.014 -28.062 30.088 1.00 37.96 ATOM 999 CA GLU 64 -8.365 -29.795 31.134 1.00 32.45 ATOM 1000 HA GLU 64 -8.936 -30.616 31.545 1.00 75.23 ATOM 1001 CB GLU 64 -7.599 -30.300 29.897 1.00 65.25 ATOM 1002 HB1 GLU 64 -6.815 -30.968 30.220 1.00 37.96 ATOM 1003 HB2 GLU 64 -7.152 -29.454 29.392 1.00 24.01 ATOM 1004 CG GLU 64 -8.476 -31.047 28.892 1.00 54.23 ATOM 1005 HG1 GLU 64 -9.348 -30.445 28.679 1.00 37.96 ATOM 1006 HG2 GLU 64 -8.788 -31.983 29.335 1.00 45.12 ATOM 1007 CD GLU 64 -7.756 -31.348 27.584 1.00 54.05 ATOM 1008 OE1 GLU 64 -6.658 -31.942 27.627 1.00 32.35 ATOM 1009 OE2 GLU 64 -8.270 -30.978 26.506 1.00 53.31 ATOM 1010 C GLU 64 -7.374 -29.300 32.211 1.00 42.35 ATOM 1011 O GLU 64 -6.357 -29.945 32.465 1.00 61.42 ATOM 1012 N ARG 65 -7.679 -28.153 32.832 1.00 63.21 ATOM 1013 HN ARG 65 -8.485 -27.667 32.553 1.00 37.96 ATOM 1014 CA ARG 65 -6.851 -27.590 33.923 1.00 40.43 ATOM 1015 HA ARG 65 -7.326 -26.673 34.237 1.00 60.43 ATOM 1016 CB ARG 65 -6.816 -28.552 35.127 1.00 14.31 ATOM 1017 HB1 ARG 65 -5.904 -28.381 35.685 1.00 37.96 ATOM 1018 HB2 ARG 65 -6.809 -29.568 34.760 1.00 14.13 ATOM 1019 CG ARG 65 -7.992 -28.401 36.087 1.00 4.32 ATOM 1020 HG1 ARG 65 -7.938 -29.183 36.831 1.00 37.96 ATOM 1021 HG2 ARG 65 -8.915 -28.495 35.532 1.00 14.11 ATOM 1022 CD ARG 65 -7.972 -27.044 36.790 1.00 1.12 ATOM 1023 HD1 ARG 65 -8.171 -26.270 36.061 1.00 37.96 ATOM 1024 HD2 ARG 65 -6.992 -26.889 37.217 1.00 34.22 ATOM 1025 NE ARG 65 -8.970 -26.956 37.853 1.00 2.51 ATOM 1026 HE ARG 65 -9.812 -27.441 37.725 1.00 42.02 ATOM 1027 CZ ARG 65 -8.807 -26.274 38.960 1.00 30.33 ATOM 1028 NH1 ARG 65 -7.717 -25.605 39.172 1.00 5.41 ATOM 1029 HH11 ARG 65 -6.988 -25.603 38.491 1.00 62.31 ATOM 1030 HH12 ARG 65 -7.610 -25.087 40.020 1.00 23.31 ATOM 1031 NH2 ARG 65 -9.741 -26.260 39.854 1.00 74.53 ATOM 1032 HH21 ARG 65 -10.586 -26.767 39.700 1.00 44.31 ATOM 1033 HH22 ARG 65 -9.611 -25.744 40.698 1.00 61.31 ATOM 1034 C ARG 65 -5.412 -27.250 33.485 1.00 13.15 ATOM 1035 O ARG 65 -4.531 -27.056 34.323 1.00 71.53 ATOM 1036 N ARG 66 -5.182 -27.146 32.181 1.00 55.30 ATOM 1037 HN ARG 66 -5.926 -27.274 31.553 1.00 37.96 ATOM 1038 CA ARG 66 -3.846 -26.837 31.658 1.00 1.50 ATOM 1039 HA ARG 66 -3.122 -27.154 32.398 1.00 2.53 ATOM 1040 CB ARG 66 -3.596 -27.620 30.362 1.00 61.23 ATOM 1041 HB1 ARG 66 -2.670 -27.280 29.921 1.00 37.96 ATOM 1042 HB2 ARG 66 -4.408 -27.424 29.673 1.00 11.34 ATOM 1043 CG ARG 66 -3.499 -29.132 30.576 1.00 32.42 ATOM 1044 HG1 ARG 66 -4.423 -29.483 31.019 1.00 37.96 ATOM 1045 HG2 ARG 66 -2.679 -29.338 31.249 1.00 2.24 ATOM 1046 CD ARG 66 -3.261 -29.885 29.269 1.00 11.11 ATOM 1047 HD1 ARG 66 -2.991 -30.906 29.502 1.00 37.96 ATOM 1048 HD2 ARG 66 -2.444 -29.415 28.739 1.00 2.31 ATOM 1049 NE ARG 66 -4.446 -29.897 28.409 1.00 74.30 ATOM 1050 HE ARG 66 -5.155 -30.535 28.631 1.00 25.10 ATOM 1051 CZ ARG 66 -4.606 -29.146 27.352 1.00 52.34 ATOM 1052 NH1 ARG 66 -3.721 -28.260 27.023 1.00 34.31 ATOM 1053 HH11 ARG 66 -2.905 -28.142 27.573 1.00 43.41 ATOM 1054 HH12 ARG 66 -3.869 -27.693 26.211 1.00 54.20 ATOM 1055 NH2 ARG 66 -5.665 -29.280 26.631 1.00 2.10 ATOM 1056 HH21 ARG 66 -6.355 -29.952 26.879 1.00 24.35 ATOM 1057 HH22 ARG 66 -5.792 -28.708 25.822 1.00 55.12 ATOM 1058 C ARG 66 -3.669 -25.327 31.421 1.00 22.03 ATOM 1059 O ARG 66 -4.322 -24.742 30.559 1.00 12.54 ATOM 1060 N VAL 67 -2.779 -24.703 32.200 1.00 53.03 ATOM 1061 HN VAL 67 -2.277 -25.227 32.858 1.00 37.96 ATOM 1062 CA VAL 67 -2.534 -23.257 32.102 1.00 43.41 ATOM 1063 HA VAL 67 -3.496 -22.759 32.102 1.00 54.13 ATOM 1064 CB VAL 67 -1.722 -22.736 33.316 1.00 73.55 ATOM 1065 HB VAL 67 -0.741 -23.191 33.285 1.00 35.31 ATOM 1066 CG1 VAL 67 -1.539 -21.219 33.246 1.00 2.35 ATOM 1067 HG11 VAL 67 -0.973 -20.883 34.103 1.00 12.31 ATOM 1068 HG12 VAL 67 -2.506 -20.737 33.242 1.00 2.41 ATOM 1069 HG13 VAL 67 -1.006 -20.959 32.341 1.00 12.11 ATOM 1070 CG2 VAL 67 -2.392 -23.145 34.629 1.00 14.42 ATOM 1071 HG21 VAL 67 -2.453 -24.223 34.683 1.00 31.04 ATOM 1072 HG22 VAL 67 -3.387 -22.727 34.674 1.00 41.22 ATOM 1073 HG23 VAL 67 -1.810 -22.777 35.462 1.00 55.32 ATOM 1074 C VAL 67 -1.797 -22.893 30.802 1.00 33.43 ATOM 1075 O VAL 67 -2.157 -21.929 30.122 1.00 32.13 ATOM 1076 N HIS 68 -0.752 -23.654 30.464 1.00 30.53 ATOM 1077 HN HIS 68 -0.460 -24.363 31.075 1.00 37.96 ATOM 1078 CA HIS 68 -0.040 -23.445 29.198 1.00 44.21 ATOM 1079 HA HIS 68 -0.094 -22.385 28.978 1.00 44.21 ATOM 1080 CB HIS 68 1.450 -23.840 29.306 1.00 41.40 ATOM 1081 HB1 HIS 68 1.916 -23.233 30.072 1.00 37.96 ATOM 1082 HB2 HIS 68 1.933 -23.632 28.362 1.00 4.42 ATOM 1083 CG HIS 68 1.715 -25.285 29.640 1.00 62.34 ATOM 1084 ND1 HIS 68 1.864 -25.747 30.928 1.00 14.32 ATOM 1085 HD1 HIS 68 1.808 -25.200 31.741 1.00 45.01 ATOM 1086 CD2 HIS 68 1.887 -26.371 28.839 1.00 33.41 ATOM 1087 HD2 HIS 68 1.843 -26.386 27.758 1.00 4.13 ATOM 1088 CE1 HIS 68 2.115 -27.041 30.911 1.00 62.13 ATOM 1089 HE1 HIS 68 2.279 -27.664 31.778 1.00 72.21 ATOM 1090 NE2 HIS 68 2.133 -27.444 29.660 1.00 21.10 ATOM 1091 HE2 HIS 68 2.428 -28.332 29.362 1.00 37.96 ATOM 1092 C HIS 68 -0.730 -24.201 28.052 1.00 50.02 ATOM 1093 O HIS 68 -0.751 -25.436 28.025 1.00 64.34 ATOM 1094 N VAL 69 -1.304 -23.450 27.116 1.00 22.03 ATOM 1095 HN VAL 69 -1.246 -22.475 27.188 1.00 37.96 ATOM 1096 CA VAL 69 -2.021 -24.033 25.980 1.00 60.34 ATOM 1097 HA VAL 69 -2.764 -24.715 26.373 1.00 50.21 ATOM 1098 CB VAL 69 -2.754 -22.939 25.160 1.00 50.44 ATOM 1099 HB VAL 69 -2.005 -22.318 24.684 1.00 44.53 ATOM 1100 CG1 VAL 69 -3.616 -23.564 24.063 1.00 54.13 ATOM 1101 HG11 VAL 69 -4.374 -24.190 24.510 1.00 14.44 ATOM 1102 HG12 VAL 69 -2.994 -24.164 23.412 1.00 52.25 ATOM 1103 HG13 VAL 69 -4.090 -22.784 23.486 1.00 55.22 ATOM 1104 CG2 VAL 69 -3.600 -22.047 26.075 1.00 33.41 ATOM 1105 HG21 VAL 69 -4.106 -21.296 25.483 1.00 42.33 ATOM 1106 HG22 VAL 69 -2.962 -21.562 26.799 1.00 5.15 ATOM 1107 HG23 VAL 69 -4.333 -22.651 26.590 1.00 41.53 ATOM 1108 C VAL 69 -1.070 -24.816 25.061 1.00 65.22 ATOM 1109 O VAL 69 0.050 -24.382 24.778 1.00 55.21 ATOM 1110 N THR 70 -1.521 -25.977 24.605 1.00 54.24 ATOM 1111 HN THR 70 -2.436 -26.251 24.828 1.00 37.96 ATOM 1112 CA THR 70 -0.697 -26.847 23.759 1.00 71.20 ATOM 1113 HA THR 70 0.332 -26.521 23.845 1.00 40.35 ATOM 1114 CB THR 70 -0.771 -28.326 24.212 1.00 24.41 ATOM 1115 HB THR 70 -0.057 -28.900 23.637 1.00 62.42 ATOM 1116 OG1 THR 70 -2.086 -28.857 23.982 1.00 51.41 ATOM 1117 HG1 THR 70 -2.730 -28.136 23.991 1.00 65.12 ATOM 1118 CG2 THR 70 -0.419 -28.461 25.694 1.00 50.13 ATOM 1119 HG21 THR 70 0.591 -28.112 25.860 1.00 73.55 ATOM 1120 HG22 THR 70 -0.491 -29.497 25.990 1.00 34.23 ATOM 1121 HG23 THR 70 -1.105 -27.871 26.285 1.00 43.34 ATOM 1122 C THR 70 -1.118 -26.762 22.289 1.00 50.31 ATOM 1123 O THR 70 -2.245 -26.378 21.976 1.00 3.34 ATOM 1124 N GLN 71 -0.210 -27.138 21.392 1.00 20.04 ATOM 1125 HN GLN 71 0.666 -27.455 21.704 1.00 37.96 ATOM 1126 CA GLN 71 -0.482 -27.113 19.952 1.00 12.23 ATOM 1127 HA GLN 71 -0.645 -26.083 19.661 1.00 3.53 ATOM 1128 CB GLN 71 0.728 -27.661 19.189 1.00 64.03 ATOM 1129 HB1 GLN 71 0.935 -28.663 19.540 1.00 37.96 ATOM 1130 HB2 GLN 71 1.585 -27.035 19.399 1.00 53.22 ATOM 1131 CG GLN 71 0.535 -27.715 17.682 1.00 75.21 ATOM 1132 HG1 GLN 71 0.437 -26.705 17.308 1.00 37.96 ATOM 1133 HG2 GLN 71 -0.369 -28.266 17.465 1.00 52.01 ATOM 1134 CD GLN 71 1.694 -28.382 16.970 1.00 51.30 ATOM 1135 OE1 GLN 71 2.836 -28.317 17.412 1.00 43.43 ATOM 1136 NE2 GLN 71 1.408 -29.049 15.875 1.00 53.01 ATOM 1137 HE21 GLN 71 0.472 -29.081 15.585 1.00 63.11 ATOM 1138 HE22 GLN 71 2.143 -29.485 15.397 1.00 31.43 ATOM 1139 C GLN 71 -1.735 -27.934 19.607 1.00 11.01 ATOM 1140 O GLN 71 -2.535 -27.546 18.752 1.00 14.32 ATOM 1141 N GLU 72 -1.895 -29.063 20.297 1.00 44.43 ATOM 1142 HN GLU 72 -1.210 -29.317 20.950 1.00 37.96 ATOM 1143 CA GLU 72 -3.053 -29.945 20.106 1.00 63.25 ATOM 1144 HA GLU 72 -2.983 -30.367 19.114 1.00 12.12 ATOM 1145 CB GLU 72 -3.025 -31.086 21.132 1.00 43.03 ATOM 1146 HB1 GLU 72 -3.913 -31.689 21.006 1.00 37.96 ATOM 1147 HB2 GLU 72 -3.031 -30.659 22.125 1.00 23.02 ATOM 1148 CG GLU 72 -1.809 -31.998 21.013 1.00 73.14 ATOM 1149 HG1 GLU 72 -0.918 -31.412 21.193 1.00 37.96 ATOM 1150 HG2 GLU 72 -1.774 -32.402 20.011 1.00 32.22 ATOM 1151 CD GLU 72 -1.844 -33.155 21.998 1.00 43.41 ATOM 1152 OE1 GLU 72 -2.778 -33.979 21.912 1.00 24.31 ATOM 1153 OE2 GLU 72 -0.935 -33.252 22.852 1.00 33.13 ATOM 1154 C GLU 72 -4.379 -29.175 20.223 1.00 52.14 ATOM 1155 O GLU 72 -5.315 -29.408 19.459 1.00 23.43 ATOM 1156 N ASP 73 -4.441 -28.245 21.171 1.00 32.01 ATOM 1157 HN ASP 73 -3.652 -28.081 21.729 1.00 37.96 ATOM 1158 CA ASP 73 -5.652 -27.450 21.398 1.00 4.43 ATOM 1159 HA ASP 73 -6.473 -28.137 21.554 1.00 43.35 ATOM 1160 CB ASP 73 -5.484 -26.587 22.652 1.00 1.32 ATOM 1161 HB1 ASP 73 -6.405 -26.053 22.843 1.00 37.96 ATOM 1162 HB2 ASP 73 -4.687 -25.875 22.488 1.00 71.43 ATOM 1163 CG ASP 73 -5.150 -27.417 23.876 1.00 15.12 ATOM 1164 OD1 ASP 73 -4.194 -27.068 24.603 1.00 34.45 ATOM 1165 OD2 ASP 73 -5.830 -28.437 24.109 1.00 63.02 ATOM 1166 C ASP 73 -5.972 -26.564 20.186 1.00 21.44 ATOM 1167 O ASP 73 -7.126 -26.465 19.761 1.00 71.41 ATOM 1168 N PHE 74 -4.942 -25.931 19.626 1.00 34.44 ATOM 1169 HN PHE 74 -4.048 -26.045 20.013 1.00 37.96 ATOM 1170 CA PHE 74 -5.111 -25.074 18.451 1.00 22.44 ATOM 1171 HA PHE 74 -5.849 -24.323 18.702 1.00 45.03 ATOM 1172 CB PHE 74 -3.796 -24.366 18.101 1.00 63.25 ATOM 1173 HB1 PHE 74 -3.880 -23.928 17.115 1.00 37.96 ATOM 1174 HB2 PHE 74 -2.994 -25.091 18.095 1.00 2.14 ATOM 1175 CG PHE 74 -3.420 -23.269 19.063 1.00 65.14 ATOM 1176 CD1 PHE 74 -2.621 -23.533 20.163 1.00 54.24 ATOM 1177 HD1 PHE 74 -2.268 -24.540 20.334 1.00 43.14 ATOM 1178 CD2 PHE 74 -3.863 -21.968 18.859 1.00 41.14 ATOM 1179 HD2 PHE 74 -4.488 -21.750 18.005 1.00 0.42 ATOM 1180 CE1 PHE 74 -2.276 -22.525 21.041 1.00 52.32 ATOM 1181 HE1 PHE 74 -1.654 -22.745 21.895 1.00 33.45 ATOM 1182 CE2 PHE 74 -3.520 -20.957 19.735 1.00 10.01 ATOM 1183 HE2 PHE 74 -3.870 -19.950 19.563 1.00 43.33 ATOM 1184 CZ PHE 74 -2.723 -21.234 20.826 1.00 3.55 ATOM 1185 HZ PHE 74 -2.452 -20.444 21.514 1.00 3.25 ATOM 1186 C PHE 74 -5.622 -25.867 17.236 1.00 22.41 ATOM 1187 O PHE 74 -6.606 -25.481 16.612 1.00 54.45 ATOM 1188 N GLU 75 -4.964 -26.978 16.906 1.00 40.13 ATOM 1189 HN GLU 75 -4.191 -27.259 17.445 1.00 37.96 ATOM 1190 CA GLU 75 -5.374 -27.785 15.746 1.00 52.25 ATOM 1191 HA GLU 75 -5.506 -27.093 14.924 1.00 12.24 ATOM 1192 CB GLU 75 -4.277 -28.786 15.350 1.00 71.53 ATOM 1193 HB1 GLU 75 -3.443 -28.232 14.939 1.00 37.96 ATOM 1194 HB2 GLU 75 -4.665 -29.440 14.582 1.00 22.52 ATOM 1195 CG GLU 75 -3.748 -29.653 16.483 1.00 1.54 ATOM 1196 HG1 GLU 75 -4.548 -30.286 16.843 1.00 37.96 ATOM 1197 HG2 GLU 75 -3.409 -29.011 17.284 1.00 70.42 ATOM 1198 CD GLU 75 -2.589 -30.528 16.030 1.00 73.30 ATOM 1199 OE1 GLU 75 -2.795 -31.738 15.812 1.00 35.00 ATOM 1200 OE2 GLU 75 -1.468 -29.997 15.846 1.00 52.14 ATOM 1201 C GLU 75 -6.726 -28.488 15.975 1.00 12.44 ATOM 1202 O GLU 75 -7.497 -28.676 15.031 1.00 51.31 ATOM 1203 N MET 76 -7.022 -28.859 17.223 1.00 4.11 ATOM 1204 HN MET 76 -6.331 -28.803 17.917 1.00 37.96 ATOM 1205 CA MET 76 -8.361 -29.357 17.574 1.00 15.23 ATOM 1206 HA MET 76 -8.589 -30.177 16.905 1.00 21.20 ATOM 1207 CB MET 76 -8.401 -29.871 19.023 1.00 61.33 ATOM 1208 HB1 MET 76 -9.430 -29.901 19.355 1.00 37.96 ATOM 1209 HB2 MET 76 -7.851 -29.185 19.653 1.00 5.34 ATOM 1210 CG MET 76 -7.805 -31.265 19.198 1.00 13.32 ATOM 1211 HG1 MET 76 -7.812 -31.521 20.249 1.00 37.96 ATOM 1212 HG2 MET 76 -6.785 -31.257 18.839 1.00 21.53 ATOM 1213 SD MET 76 -8.725 -32.526 18.288 1.00 4.12 ATOM 1214 CE MET 76 -10.357 -32.352 19.009 1.00 24.53 ATOM 1215 HE1 MET 76 -10.298 -32.515 20.076 1.00 0.13 ATOM 1216 HE2 MET 76 -11.023 -33.080 18.570 1.00 34.41 ATOM 1217 HE3 MET 76 -10.734 -31.358 18.816 1.00 31.15 ATOM 1218 C MET 76 -9.414 -28.255 17.371 1.00 31.35 ATOM 1219 O MET 76 -10.553 -28.525 16.987 1.00 1.23 ATOM 1220 N ALA 77 -9.023 -27.011 17.634 1.00 70.33 ATOM 1221 HN ALA 77 -8.138 -26.864 18.038 1.00 37.96 ATOM 1222 CA ALA 77 -9.883 -25.860 17.357 1.00 60.12 ATOM 1223 HA ALA 77 -10.853 -26.060 17.790 1.00 61.12 ATOM 1224 CB ALA 77 -9.320 -24.608 18.021 1.00 62.50 ATOM 1225 HB1 ALA 77 -8.347 -24.384 17.606 1.00 5.41 ATOM 1226 HB2 ALA 77 -9.227 -24.776 19.083 1.00 11.04 ATOM 1227 HB3 ALA 77 -9.987 -23.775 17.847 1.00 44.34 ATOM 1228 C ALA 77 -10.051 -25.649 15.845 1.00 71.22 ATOM 1229 O ALA 77 -11.158 -25.430 15.360 1.00 71.30 ATOM 1230 N VAL 78 -8.945 -25.736 15.105 1.00 31.33 ATOM 1231 HN VAL 78 -8.086 -25.874 15.557 1.00 37.96 ATOM 1232 CA VAL 78 -8.975 -25.623 13.640 1.00 33.31 ATOM 1233 HA VAL 78 -9.332 -24.632 13.393 1.00 45.00 ATOM 1234 CB VAL 78 -7.561 -25.800 13.024 1.00 25.34 ATOM 1235 HB VAL 78 -7.176 -26.762 13.332 1.00 42.41 ATOM 1236 CG1 VAL 78 -7.619 -25.777 11.497 1.00 63.32 ATOM 1237 HG11 VAL 78 -8.224 -26.600 11.143 1.00 32.13 ATOM 1238 HG12 VAL 78 -6.619 -25.869 11.097 1.00 75.01 ATOM 1239 HG13 VAL 78 -8.053 -24.845 11.164 1.00 61.02 ATOM 1240 CG2 VAL 78 -6.611 -24.721 13.538 1.00 64.22 ATOM 1241 HG21 VAL 78 -6.988 -23.747 13.261 1.00 43.40 ATOM 1242 HG22 VAL 78 -5.631 -24.864 13.104 1.00 33.13 ATOM 1243 HG23 VAL 78 -6.538 -24.786 14.614 1.00 14.11 ATOM 1244 C VAL 78 -9.925 -26.659 13.019 1.00 12.24 ATOM 1245 O VAL 78 -10.713 -26.340 12.128 1.00 13.12 ATOM 1246 N ALA 79 -9.846 -27.898 13.500 1.00 11.43 ATOM 1247 HN ALA 79 -9.156 -28.107 14.164 1.00 37.96 ATOM 1248 CA ALA 79 -10.753 -28.963 13.053 1.00 64.23 ATOM 1249 HA ALA 79 -10.642 -29.066 11.982 1.00 74.34 ATOM 1250 CB ALA 79 -10.367 -30.288 13.700 1.00 75.23 ATOM 1251 HB1 ALA 79 -9.327 -30.500 13.496 1.00 65.50 ATOM 1252 HB2 ALA 79 -10.981 -31.079 13.294 1.00 2.52 ATOM 1253 HB3 ALA 79 -10.519 -30.227 14.768 1.00 52.41 ATOM 1254 C ALA 79 -12.219 -28.619 13.368 1.00 21.31 ATOM 1255 O ALA 79 -13.128 -28.971 12.616 1.00 43.35 ATOM 1256 N LYS 80 -12.428 -27.923 14.482 1.00 13.12 ATOM 1257 HN LYS 80 -11.658 -27.693 15.045 1.00 37.96 ATOM 1258 CA LYS 80 -13.767 -27.498 14.912 1.00 71.34 ATOM 1259 HA LYS 80 -14.442 -28.332 14.778 1.00 23.01 ATOM 1260 CB LYS 80 -13.720 -27.127 16.402 1.00 31.24 ATOM 1261 HB1 LYS 80 -13.032 -26.303 16.530 1.00 37.96 ATOM 1262 HB2 LYS 80 -13.348 -27.977 16.958 1.00 72.11 ATOM 1263 CG LYS 80 -15.063 -26.721 17.002 1.00 61.12 ATOM 1264 HG1 LYS 80 -15.756 -27.547 16.907 1.00 37.96 ATOM 1265 HG2 LYS 80 -15.446 -25.864 16.465 1.00 72.42 ATOM 1266 CD LYS 80 -14.922 -26.356 18.478 1.00 11.33 ATOM 1267 HD1 LYS 80 -14.257 -25.508 18.566 1.00 37.96 ATOM 1268 HD2 LYS 80 -14.502 -27.198 19.009 1.00 13.12 ATOM 1269 CE LYS 80 -16.261 -25.997 19.107 1.00 22.24 ATOM 1270 HE1 LYS 80 -16.931 -26.839 19.014 1.00 37.96 ATOM 1271 HE2 LYS 80 -16.675 -25.146 18.585 1.00 73.11 ATOM 1272 NZ LYS 80 -16.112 -25.654 20.544 1.00 31.54 ATOM 1273 HZ1 LYS 80 -15.701 -26.455 21.063 1.00 62.43 ATOM 1274 HZ2 LYS 80 -17.038 -25.431 20.959 1.00 54.44 ATOM 1275 HZ3 LYS 80 -15.489 -24.829 20.650 1.00 11.31 ATOM 1276 C LYS 80 -14.276 -26.299 14.082 1.00 23.24 ATOM 1277 O LYS 80 -15.469 -26.185 13.805 1.00 52.55 ATOM 1278 N VAL 81 -13.359 -25.413 13.690 1.00 42.11 ATOM 1279 HN VAL 81 -12.425 -25.560 13.944 1.00 37.96 ATOM 1280 CA VAL 81 -13.704 -24.218 12.902 1.00 41.03 ATOM 1281 HA VAL 81 -14.623 -23.811 13.304 1.00 23.20 ATOM 1282 CB VAL 81 -12.601 -23.130 13.029 1.00 75.54 ATOM 1283 HB VAL 81 -11.667 -23.554 12.680 1.00 24.22 ATOM 1284 CG1 VAL 81 -12.922 -21.911 12.159 1.00 52.32 ATOM 1285 HG11 VAL 81 -13.854 -21.470 12.484 1.00 32.24 ATOM 1286 HG12 VAL 81 -13.011 -22.217 11.126 1.00 24.34 ATOM 1287 HG13 VAL 81 -12.128 -21.181 12.248 1.00 64.32 ATOM 1288 CG2 VAL 81 -12.417 -22.717 14.490 1.00 3.33 ATOM 1289 HG21 VAL 81 -13.332 -22.276 14.860 1.00 10.44 ATOM 1290 HG22 VAL 81 -11.615 -21.997 14.566 1.00 72.10 ATOM 1291 HG23 VAL 81 -12.175 -23.587 15.083 1.00 14.01 ATOM 1292 C VAL 81 -13.920 -24.552 11.413 1.00 62.35 ATOM 1293 O VAL 81 -14.891 -24.103 10.798 1.00 43.03 ATOM 1294 N MET 82 -13.005 -25.329 10.835 1.00 4.13 ATOM 1295 HN MET 82 -12.257 -25.660 11.373 1.00 37.96 ATOM 1296 CA MET 82 -13.086 -25.699 9.414 1.00 12.42 ATOM 1297 HA MET 82 -13.480 -24.850 8.871 1.00 15.23 ATOM 1298 CB MET 82 -11.685 -26.027 8.873 1.00 64.31 ATOM 1299 HB1 MET 82 -11.772 -26.327 7.839 1.00 37.96 ATOM 1300 HB2 MET 82 -11.278 -26.851 9.442 1.00 14.24 ATOM 1301 CG MET 82 -10.703 -24.863 8.952 1.00 50.31 ATOM 1302 HG1 MET 82 -9.748 -25.189 8.562 1.00 37.96 ATOM 1303 HG2 MET 82 -10.586 -24.579 9.987 1.00 72.25 ATOM 1304 SD MET 82 -11.246 -23.417 8.014 1.00 12.22 ATOM 1305 CE MET 82 -11.286 -24.070 6.346 1.00 60.32 ATOM 1306 HE1 MET 82 -11.617 -23.299 5.665 1.00 71.43 ATOM 1307 HE2 MET 82 -11.968 -24.907 6.301 1.00 44.45 ATOM 1308 HE3 MET 82 -10.296 -24.398 6.064 1.00 24.22 ATOM 1309 C MET 82 -14.024 -26.899 9.193 1.00 60.54 ATOM 1310 O MET 82 -14.688 -26.996 8.159 1.00 23.11 ATOM 1311 N GLN 83 -14.074 -27.803 10.177 1.00 60.30 ATOM 1312 HN GLN 83 -13.512 -27.671 10.969 1.00 37.96 ATOM 1313 CA GLN 83 -14.948 -28.989 10.122 1.00 24.14 ATOM 1314 HA GLN 83 -14.699 -29.605 10.976 1.00 42.33 ATOM 1315 CB GLN 83 -16.419 -28.564 10.245 1.00 11.43 ATOM 1316 HB1 GLN 83 -17.048 -29.438 10.154 1.00 37.96 ATOM 1317 HB2 GLN 83 -16.654 -27.875 9.446 1.00 64.33 ATOM 1318 CG GLN 83 -16.732 -27.886 11.576 1.00 60.23 ATOM 1319 HG1 GLN 83 -16.079 -27.032 11.688 1.00 37.96 ATOM 1320 HG2 GLN 83 -16.537 -28.588 12.374 1.00 40.31 ATOM 1321 CD GLN 83 -18.171 -27.418 11.689 1.00 74.03 ATOM 1322 OE1 GLN 83 -19.043 -28.152 12.144 1.00 0.30 ATOM 1323 NE2 GLN 83 -18.432 -26.194 11.287 1.00 3.00 ATOM 1324 HE21 GLN 83 -17.695 -25.654 10.936 1.00 30.22 ATOM 1325 HE22 GLN 83 -19.353 -25.877 11.355 1.00 10.12 ATOM 1326 C GLN 83 -14.715 -29.827 8.850 1.00 21.23 ATOM 1327 O GLN 83 -15.632 -30.465 8.332 1.00 21.01 ATOM 1328 N LYS 84 -13.467 -29.849 8.379 1.00 75.50 ATOM 1329 HN LYS 84 -12.778 -29.337 8.848 1.00 37.96 ATOM 1330 CA LYS 84 -13.092 -30.615 7.184 1.00 74.23 ATOM 1331 HA LYS 84 -13.790 -30.365 6.399 1.00 4.32 ATOM 1332 CB LYS 84 -11.672 -30.222 6.734 1.00 3.12 ATOM 1333 HB1 LYS 84 -10.969 -30.563 7.482 1.00 37.96 ATOM 1334 HB2 LYS 84 -11.616 -29.144 6.681 1.00 72.35 ATOM 1335 CG LYS 84 -11.231 -30.786 5.376 1.00 11.25 ATOM 1336 HG1 LYS 84 -11.427 -31.850 5.361 1.00 37.96 ATOM 1337 HG2 LYS 84 -10.169 -30.620 5.261 1.00 42.12 ATOM 1338 CD LYS 84 -11.958 -30.128 4.196 1.00 51.34 ATOM 1339 HD1 LYS 84 -11.282 -30.085 3.353 1.00 37.96 ATOM 1340 HD2 LYS 84 -12.242 -29.123 4.473 1.00 24.41 ATOM 1341 CE LYS 84 -13.210 -30.891 3.776 1.00 30.20 ATOM 1342 HE1 LYS 84 -13.771 -30.285 3.081 1.00 37.96 ATOM 1343 HE2 LYS 84 -13.814 -31.082 4.651 1.00 30.30 ATOM 1344 NZ LYS 84 -12.880 -32.186 3.127 1.00 2.11 ATOM 1345 HZ1 LYS 84 -12.323 -32.782 3.773 1.00 22.42 ATOM 1346 HZ2 LYS 84 -12.325 -32.023 2.263 1.00 13.42 ATOM 1347 HZ3 LYS 84 -13.751 -32.693 2.872 1.00 54.02 ATOM 1348 C LYS 84 -13.170 -32.130 7.452 1.00 70.44 ATOM 1349 O LYS 84 -12.215 -32.735 7.943 1.00 25.41 ATOM 1350 N ASP 85 -14.325 -32.724 7.142 1.00 53.33 ATOM 1351 HN ASP 85 -15.036 -32.182 6.737 1.00 37.96 ATOM 1352 CA ASP 85 -14.578 -34.156 7.384 1.00 43.25 ATOM 1353 HA ASP 85 -15.566 -34.376 7.003 1.00 12.20 ATOM 1354 CB ASP 85 -13.559 -35.025 6.632 1.00 54.21 ATOM 1355 HB1 ASP 85 -13.809 -36.066 6.777 1.00 37.96 ATOM 1356 HB2 ASP 85 -12.570 -34.839 7.030 1.00 54.12 ATOM 1357 CG ASP 85 -13.545 -34.737 5.144 1.00 20.35 ATOM 1358 OD1 ASP 85 -12.494 -34.308 4.625 1.00 33.33 ATOM 1359 OD2 ASP 85 -14.590 -34.921 4.487 1.00 54.33 ATOM 1360 C ASP 85 -14.559 -34.500 8.887 1.00 2.22 ATOM 1361 O ASP 85 -14.312 -35.647 9.271 1.00 10.13 ATOM 1362 N SER 86 -14.841 -33.504 9.727 1.00 72.53 ATOM 1363 HN SER 86 -15.025 -32.615 9.360 1.00 37.96 ATOM 1364 HA SER 86 -13.993 -34.244 11.470 1.00 64.30 ATOM 1365 CB SER 86 -14.883 -32.349 11.918 1.00 33.32 ATOM 1366 HB1 SER 86 -14.962 -32.517 12.983 1.00 37.96 ATOM 1367 HB2 SER 86 -15.725 -31.759 11.584 1.00 31.14 ATOM 1368 OG SER 86 -13.688 -31.624 11.660 1.00 24.14 ATOM 1369 HG SER 86 -13.717 -30.783 12.131 1.00 4.03 ATOM 1370 CA SER 86 -14.884 -33.699 11.189 1.00 71.43 ATOM 1371 C SER 86 -16.116 -34.514 11.614 1.00 14.20 ATOM 1372 OT1 SER 86 -17.252 -34.016 11.451 1.00 37.96 ATOM 1373 OT2 SER 86 -15.947 -35.646 12.121 1.00 37.96 ATOM 1374 OH2 TIP3 1 -16.364 -40.369 3.039 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -16.710 -40.993 2.397 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -17.165 -40.032 3.503 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.274 -33.778 6.112 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.526 -34.360 5.870 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -18.850 -32.930 6.372 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -16.570 -27.373 -1.225 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.909 -28.172 -0.787 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -17.241 -26.693 -1.030 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.714 -39.668 4.250 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.584 -39.470 5.209 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.649 -39.874 4.180 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -15.137 -38.564 6.901 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -15.151 -39.334 7.509 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -14.772 -38.927 6.069 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -17.482 -29.668 0.284 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.521 -29.730 0.476 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -17.733 -30.565 0.033 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -14.775 -33.344 1.373 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -14.565 -34.308 1.415 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -15.590 -33.254 1.915 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.128 -36.782 7.507 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.175 -36.243 6.694 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.349 -37.370 7.361 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.084 -31.138 5.125 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -16.341 -31.750 4.403 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -16.438 -30.264 4.838 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -21.081 -30.524 3.453 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -21.427 -30.045 4.229 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -20.387 -29.929 3.093 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -22.818 -29.619 5.612 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -23.307 -30.211 4.995 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -23.243 -29.772 6.475 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -19.245 -30.535 10.984 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -19.338 -29.633 11.352 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -19.395 -30.415 10.021 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.196 -37.814 11.082 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -16.654 -37.106 11.495 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -17.951 -37.338 10.695 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -19.250 -40.247 9.324 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -19.735 -39.886 10.090 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -18.370 -40.466 9.684 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.557 -35.829 9.660 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -17.983 -35.274 10.223 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.962 -36.147 8.942 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -18.677 -39.104 6.903 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -18.210 -38.331 7.266 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -18.975 -39.599 7.701 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -17.737 -32.873 9.043 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.445 -33.154 9.937 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -18.658 -33.196 8.982 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.283 -33.947 8.690 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.184 -34.082 7.725 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.929 -34.776 9.087 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -16.725 -33.063 3.259 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -16.569 -33.869 3.784 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -17.711 -32.970 3.246 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -19.365 -32.674 3.575 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.607 -33.097 4.422 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -20.052 -31.988 3.445 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -17.109 -28.730 4.366 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.902 -28.819 3.795 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.489 -28.189 3.829 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.987 -40.490 8.839 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -14.510 -41.308 9.013 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -15.733 -40.506 9.486 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -14.119 -39.731 4.530 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -13.746 -38.943 4.082 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -14.905 -39.970 3.986 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -23.314 -29.482 8.615 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.652 -29.227 9.497 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -22.919 -30.369 8.760 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -21.795 -31.724 9.150 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -21.065 -31.117 8.905 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -21.405 -32.623 9.035 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -23.726 -31.364 3.738 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -22.815 -31.289 3.393 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -24.151 -31.995 3.151 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -16.889 -40.453 10.772 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -17.204 -40.792 11.638 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -16.922 -39.470 10.878 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -12.541 -37.824 3.300 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -12.064 -38.373 2.647 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -11.836 -37.292 3.726 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.140 -35.436 5.060 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -17.386 -36.197 4.516 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -16.160 -35.344 4.918 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -13.729 -38.160 9.840 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -14.265 -38.803 9.333 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -14.018 -37.285 9.498 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -13.177 -31.370 0.412 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -13.671 -32.216 0.426 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -13.870 -30.690 0.538 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -18.114 -31.388 6.887 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.302 -31.152 6.393 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -17.777 -31.793 7.725 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.718 -25.622 -0.887 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -19.019 -25.622 -1.804 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -18.607 -24.663 -0.671 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -19.099 -28.867 2.403 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -18.582 -29.165 1.624 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -19.385 -27.958 2.166 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -10.417 -33.140 2.505 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -10.299 -33.968 1.993 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -9.992 -33.337 3.371 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -15.856 -34.110 16.001 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.625 -34.945 15.548 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -16.696 -33.832 15.578 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -14.775 -36.076 19.861 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -15.387 -36.479 19.214 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -13.958 -35.936 19.352 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -16.464 -30.490 22.670 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -16.579 -30.795 21.743 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -17.242 -30.844 23.134 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.772 -30.871 13.340 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -18.157 -30.866 12.442 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -18.318 -30.238 13.836 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -18.472 -32.714 22.061 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -17.987 -32.398 21.274 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.233 -32.098 22.134 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -17.096 -31.328 20.101 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -16.522 -31.675 19.378 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -17.673 -30.674 19.649 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -15.642 -32.170 17.949 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -15.768 -32.986 17.417 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -15.138 -31.592 17.372 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -18.347 -35.610 13.684 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -18.410 -34.763 14.178 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -17.764 -35.397 12.922 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.800 -38.198 14.625 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.724 -38.090 14.368 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.379 -37.364 14.342 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -12.274 -40.429 25.994 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -11.553 -40.888 25.559 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -11.861 -39.600 26.331 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.190 -36.458 14.690 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -14.410 -36.866 14.272 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -15.766 -36.224 13.929 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -10.896 -38.156 26.644 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -10.745 -37.638 25.824 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -10.728 -37.521 27.359 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -15.212 -30.326 25.106 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -15.588 -30.155 24.221 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -15.457 -31.254 25.290 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.629 -29.390 18.818 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -18.837 -28.875 19.629 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.628 -28.716 18.106 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -18.686 -33.160 26.325 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -18.747 -32.627 27.147 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -18.456 -34.064 26.644 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -14.987 -40.281 26.194 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -15.246 -41.184 26.003 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -14.007 -40.286 26.098 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -18.136 -33.108 14.865 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -17.913 -32.485 14.136 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -18.484 -32.523 15.575 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -20.965 -31.787 14.168 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -20.630 -32.362 13.448 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -20.513 -32.110 14.960 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -14.932 -33.929 21.599 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -14.975 -34.742 21.047 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.489 -33.296 21.129 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -20.641 -36.889 12.784 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -19.834 -36.393 13.033 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -21.292 -36.183 12.558 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -17.738 -35.726 26.594 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -17.205 -36.518 26.830 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -17.597 -35.623 25.638 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -18.307 -40.581 13.134 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -19.032 -40.241 12.576 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -18.225 -39.918 13.842 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -15.502 -33.107 25.047 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -16.243 -33.635 24.673 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -14.733 -33.361 24.507 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -11.208 -36.563 13.472 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -12.114 -36.676 13.100 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -10.685 -37.270 13.040 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -19.112 -31.111 16.452 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -19.250 -30.307 15.918 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -18.992 -30.777 17.359 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -22.330 -24.846 17.656 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -21.420 -24.970 17.993 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -22.809 -24.465 18.400 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -20.242 -30.725 22.565 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.207 -29.767 22.763 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -21.204 -30.945 22.619 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -23.735 -28.792 11.319 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -23.340 -27.912 11.356 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -24.558 -28.707 11.859 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.094 -29.394 13.667 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -22.503 -29.447 12.788 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -21.850 -30.330 13.875 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.849 -27.430 16.868 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -19.072 -27.993 16.097 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.825 -26.522 16.496 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -23.733 -27.352 14.692 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.101 -28.077 14.507 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -23.176 -26.537 14.674 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -18.589 -31.311 28.388 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -17.724 -30.925 28.127 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -18.558 -31.315 29.368 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -23.183 -32.192 11.475 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -22.640 -32.088 10.667 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -23.685 -31.376 11.528 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -17.724 -34.449 24.069 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -18.318 -34.008 24.705 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -17.951 -34.038 23.204 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -21.961 -34.578 12.225 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -21.108 -34.120 12.081 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -22.629 -33.879 12.081 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -19.707 -33.016 12.011 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -18.834 -33.443 11.843 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.628 -32.136 11.583 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -15.414 -32.921 27.780 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -15.578 -33.087 26.828 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -15.587 -31.961 27.888 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -12.965 -34.177 28.203 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -13.895 -33.870 28.145 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -12.682 -34.267 27.268 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -10.405 -33.959 13.791 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -9.566 -34.081 14.242 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -10.747 -34.872 13.670 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.684 -35.848 18.000 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.211 -35.373 17.339 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -12.479 -36.693 17.579 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -12.181 -36.543 22.342 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -11.686 -36.241 21.552 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -13.086 -36.658 22.026 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -10.762 -36.263 9.095 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -10.334 -35.465 9.478 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -11.708 -36.122 9.252 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.652 -37.027 12.376 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -14.439 -36.448 12.232 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.617 -37.581 11.569 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -15.838 -37.065 17.381 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -16.724 -37.442 17.325 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.580 -36.925 16.448 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -11.890 -34.570 25.710 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -11.393 -35.298 25.275 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.435 -34.194 24.993 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -10.496 -36.548 24.466 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.104 -36.678 23.700 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -9.638 -36.290 24.050 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -20.410 -39.388 11.738 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -20.390 -38.436 12.000 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -21.310 -39.665 11.934 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -23.001 -30.221 25.611 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -23.526 -29.894 26.346 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -22.100 -30.348 25.997 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -17.947 -28.255 25.337 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -17.998 -29.233 25.267 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -17.196 -28.099 25.952 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.602 -27.950 22.057 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.801 -27.445 22.867 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.857 -28.869 22.277 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -18.605 -30.873 24.743 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -18.580 -31.730 25.226 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -19.216 -31.037 23.990 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -15.722 -32.920 35.470 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -15.354 -32.906 36.381 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -14.978 -33.258 34.915 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -14.729 -32.788 38.064 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -13.888 -32.382 38.320 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -14.872 -33.486 38.747 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.559 -30.472 36.028 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.908 -31.039 35.324 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.632 -30.299 35.758 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.166 -33.299 34.399 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.260 -33.227 34.781 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -18.703 -33.623 35.128 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.729 -34.223 40.372 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -14.631 -34.917 41.026 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.365 -33.421 40.813 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -19.010 -36.430 31.254 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.011 -36.514 30.292 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.857 -37.325 31.571 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -12.093 -28.488 41.404 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -12.397 -27.888 40.693 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.924 -28.759 41.861 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -16.106 -30.220 27.983 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -15.953 -29.405 27.463 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -15.818 -29.978 28.894 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.579 -29.628 30.563 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.426 -30.062 30.776 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -14.934 -30.089 31.113 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -15.784 -34.527 30.077 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -15.822 -34.012 29.248 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -16.584 -34.254 30.567 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.673 -27.492 43.974 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -16.199 -27.481 44.783 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -16.224 -26.997 43.323 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -18.040 -33.901 31.683 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -18.481 -34.774 31.588 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -18.121 -33.695 32.640 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -16.186 -30.949 33.284 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -15.748 -30.289 33.855 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -15.957 -31.802 33.691 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -12.338 -31.817 29.589 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -11.781 -32.177 30.303 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -12.608 -32.603 29.082 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.481 -29.379 42.360 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.898 -28.785 43.017 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.073 -29.317 41.572 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -13.803 -33.491 33.665 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -13.181 -32.769 33.456 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -13.706 -34.117 32.913 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.537 -30.507 26.613 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -19.886 -30.508 25.886 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -20.010 -30.750 27.402 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.804 -31.274 31.074 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -17.420 -31.045 31.946 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -17.963 -32.242 31.134 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -11.102 -29.023 37.300 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -10.510 -29.801 37.337 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -11.856 -29.330 36.768 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -13.510 -35.154 31.464 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.392 -36.053 31.147 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.287 -34.821 30.951 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -11.425 -32.625 38.807 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -10.877 -32.145 38.158 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -11.383 -32.067 39.614 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -14.531 -28.284 37.945 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -13.666 -27.950 38.240 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -14.936 -28.646 38.762 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -10.551 -35.627 28.133 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -11.385 -35.285 28.513 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -10.512 -35.217 27.255 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.946 -37.781 26.896 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -15.771 -38.715 26.644 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.071 -37.399 27.007 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -14.969 -29.597 35.463 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -14.847 -29.005 36.231 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.149 -30.137 35.450 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -16.017 -29.006 40.197 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.421 -29.788 39.742 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -16.694 -28.308 40.119 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.449 -26.613 39.708 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -16.794 -25.962 39.374 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -17.732 -27.098 38.897 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -12.899 -27.304 44.441 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.789 -28.093 44.979 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.856 -27.280 44.242 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -12.043 -17.476 -10.326 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.875 -17.778 -9.895 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -12.341 -17.071 -11.168 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -12.351 -16.491 -12.874 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -13.079 -16.617 -13.496 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -11.543 -16.659 -13.410 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -9.174 -14.767 -7.598 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -10.027 -14.315 -7.493 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -9.410 -15.718 -7.618 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.720 -12.116 -9.180 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.475 -11.658 -8.759 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.498 -11.558 -9.938 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -12.782 -17.426 -6.718 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.430 -16.810 -6.325 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -13.248 -17.804 -7.493 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -9.323 -10.362 -12.354 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -10.196 -10.624 -12.004 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -8.992 -9.705 -11.708 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -11.839 -11.338 -11.609 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -12.057 -11.086 -12.533 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -11.818 -12.319 -11.629 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -14.823 -15.627 -5.510 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -14.679 -14.697 -5.732 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.115 -15.608 -4.576 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -10.153 -13.739 -14.133 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -9.707 -14.412 -14.683 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -10.114 -12.928 -14.675 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -11.932 -11.019 -14.433 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -11.238 -11.368 -15.031 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.718 -10.967 -14.987 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -14.214 -18.405 -8.914 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -14.609 -19.283 -8.940 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -14.933 -17.828 -8.551 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -11.534 -21.230 -12.784 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -11.197 -20.379 -12.436 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -11.709 -21.755 -11.998 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -11.522 -13.803 -9.124 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -11.553 -14.064 -10.069 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -12.402 -13.396 -8.961 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -17.295 -14.057 -0.758 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -18.221 -13.782 -0.771 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -17.178 -14.456 0.133 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.553 -12.063 6.173 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.927 -12.345 6.874 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.207 -12.785 6.135 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -18.653 -22.986 -0.250 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.976 -22.097 -0.418 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.156 -22.906 0.596 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.661 -27.189 2.587 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -14.939 -26.675 2.160 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.358 -26.516 2.766 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -14.593 -13.953 1.566 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -14.075 -14.652 2.024 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -15.480 -14.350 1.463 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -18.770 -23.775 7.387 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.049 -24.151 7.944 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -19.166 -24.557 6.951 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -15.178 -11.293 1.076 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -14.935 -12.227 1.230 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -15.392 -10.955 1.966 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -15.661 -15.028 -2.848 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.855 -15.094 -2.321 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -16.360 -14.823 -2.189 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.649 -17.568 9.606 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -15.845 -17.720 10.155 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -17.125 -18.426 9.638 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -17.016 -15.261 1.736 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -17.041 -14.971 2.677 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -17.073 -16.223 1.787 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -10.930 -10.125 -6.518 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -10.880 -10.552 -7.406 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -11.749 -10.462 -6.140 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.771 -7.620 -5.500 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -15.538 -8.571 -5.560 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -16.736 -7.613 -5.517 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -15.891 -12.614 -4.163 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -15.931 -12.149 -3.303 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -15.891 -13.557 -3.919 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -19.760 -26.351 1.525 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -20.653 -26.006 1.414 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -19.322 -26.167 0.661 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.983 -24.542 9.271 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.388 -23.928 9.918 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -16.043 -24.564 9.525 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -17.903 -20.025 9.395 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.099 -20.506 9.702 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.329 -20.645 8.787 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.442 -22.883 2.195 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.003 -22.728 2.977 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -17.139 -23.803 2.304 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.661 -25.476 3.109 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -18.012 -24.874 3.795 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -18.459 -25.804 2.648 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -13.420 -11.151 8.931 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -14.173 -11.781 8.883 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -13.726 -10.466 9.568 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -13.311 -15.857 3.067 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -12.514 -16.433 3.079 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.015 -16.424 3.461 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -18.067 -14.412 6.700 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -18.650 -15.170 6.854 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -17.984 -13.996 7.588 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.570 -14.831 4.453 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -17.172 -14.654 5.210 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.737 -14.377 4.699 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -14.534 -9.799 -3.005 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.804 -10.014 -3.919 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -14.999 -10.460 -2.456 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -12.946 -16.302 6.487 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -13.663 -16.851 6.875 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -12.622 -16.831 5.741 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -15.192 -17.235 4.537 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -15.191 -17.624 5.432 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -15.856 -16.522 4.587 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -13.939 -14.073 5.170 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -13.633 -14.731 5.828 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -13.648 -14.444 4.315 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -14.341 -7.100 -3.108 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -14.818 -6.987 -3.951 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -14.349 -8.073 -2.960 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.584 -27.262 6.738 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.366 -27.868 5.998 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.749 -27.175 7.227 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -18.855 -23.476 4.584 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -19.392 -24.243 4.877 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -18.640 -23.012 5.411 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -10.914 -20.640 3.115 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -11.367 -21.216 3.742 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -9.961 -20.829 3.260 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -15.573 -10.663 3.812 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -15.784 -11.282 4.542 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -15.992 -9.836 4.079 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -14.911 -15.358 9.444 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.378 -15.857 10.093 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.738 -15.866 9.382 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -15.388 -10.366 -5.603 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -15.517 -10.503 -6.565 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -15.631 -11.234 -5.204 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -15.011 -17.933 7.330 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.763 -17.673 7.894 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -14.537 -18.603 7.868 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.000 -16.476 12.574 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.280 -17.310 12.977 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.203 -16.719 12.053 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -16.020 -16.955 -7.582 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -15.652 -16.477 -6.808 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.972 -16.863 -7.486 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -19.971 -22.385 9.346 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.263 -22.499 10.021 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -19.628 -22.863 8.554 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.969 -26.250 8.808 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.067 -26.550 8.615 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -20.538 -26.857 8.294 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -21.831 -20.609 10.146 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -22.680 -20.866 9.770 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -21.202 -21.294 9.814 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -19.866 -29.943 8.380 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -19.231 -30.369 7.756 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -20.220 -29.187 7.879 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -19.724 -25.818 5.772 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -18.943 -26.380 5.987 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -20.479 -26.327 6.105 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -19.520 -28.934 14.645 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -20.470 -29.125 14.477 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -19.237 -28.440 13.846 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -11.095 -18.719 -4.985 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -11.644 -19.000 -4.221 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -11.740 -18.322 -5.610 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -12.353 -19.385 -2.572 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -12.044 -19.901 -1.812 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -13.278 -19.206 -2.374 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -12.027 -12.910 1.623 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -11.745 -13.538 2.296 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -12.965 -13.136 1.464 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -8.054 -18.771 -6.212 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -8.911 -19.150 -6.458 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -8.189 -18.453 -5.299 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -11.950 -20.987 0.500 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -11.282 -21.641 0.271 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -11.676 -20.663 1.382 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -11.392 -17.789 3.553 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -10.448 -17.656 3.780 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -11.453 -18.740 3.348 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -17.491 -10.079 7.939 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -18.208 -9.697 7.421 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -17.123 -10.779 7.360 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.056 -13.418 9.224 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -18.385 -12.789 9.891 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -18.477 -14.273 9.469 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -18.210 -10.855 10.545 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.752 -10.178 11.086 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.995 -10.604 9.623 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -12.795 -10.406 3.738 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -12.641 -10.921 4.558 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -13.764 -10.452 3.612 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -14.869 -29.370 1.156 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -13.964 -28.979 1.181 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.410 -28.725 1.659 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -12.551 -28.043 1.525 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -11.954 -28.243 0.778 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -12.825 -27.112 1.375 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -13.803 -22.899 1.385 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -14.658 -22.514 1.609 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -13.292 -22.154 1.016 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -25.735 -28.159 13.073 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -25.083 -27.811 13.724 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -26.577 -28.108 13.533 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.004 -18.448 22.824 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.569 -19.237 23.014 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -17.321 -18.787 22.219 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.412 -20.715 23.338 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -19.023 -21.594 23.540 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -20.217 -20.691 23.863 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -12.700 -15.470 18.964 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -11.897 -15.882 19.331 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -13.114 -15.032 19.734 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -14.880 -12.027 19.880 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -14.332 -11.283 19.565 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.433 -12.261 19.101 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -18.492 -14.378 16.874 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -18.011 -14.862 16.193 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -19.370 -14.810 16.898 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -14.248 -14.441 20.959 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -14.530 -13.586 20.558 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.041 -15.017 20.878 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.061 -27.552 20.842 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.316 -27.916 21.715 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.032 -26.590 20.987 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -16.252 -12.989 17.633 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.741 -13.832 17.595 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -17.189 -13.282 17.581 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -15.235 -15.463 17.912 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -15.664 -15.866 18.685 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.274 -15.576 18.081 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -20.778 -15.907 16.518 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -21.620 -15.495 16.205 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -21.057 -16.738 16.917 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.649 -21.279 10.252 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -15.201 -22.141 10.251 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.944 -20.637 9.958 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -15.485 -19.473 12.421 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -15.603 -20.192 11.775 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -14.891 -18.840 11.963 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -16.229 -14.598 23.850 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -17.027 -14.706 23.302 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -15.945 -15.512 24.037 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -19.846 -15.741 13.919 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -20.105 -15.874 14.853 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -20.596 -15.240 13.533 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -9.919 -12.691 27.408 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -10.817 -12.603 27.022 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -9.805 -11.874 27.938 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -16.946 -8.673 11.690 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.527 -7.907 11.759 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -16.290 -8.544 12.414 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -16.289 -11.207 15.577 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -16.311 -11.937 16.240 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -16.388 -11.670 14.705 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -17.951 -25.421 25.610 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -18.168 -26.369 25.508 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.753 -25.325 26.567 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.610 -21.241 14.532 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.796 -21.028 14.994 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.691 -20.538 13.852 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -18.402 -23.139 24.136 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -17.544 -23.183 23.657 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -18.407 -23.951 24.696 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.412 -18.761 21.421 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -14.677 -18.434 20.888 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -15.195 -19.724 21.552 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -20.846 -24.600 10.807 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -20.646 -25.257 10.103 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -20.793 -23.743 10.351 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -15.941 -22.904 23.100 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -15.659 -22.868 22.150 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -15.412 -22.211 23.524 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.932 -23.141 16.028 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.510 -22.487 15.429 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.795 -22.769 16.927 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -20.466 -21.124 12.561 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -20.170 -20.257 12.909 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -21.075 -20.892 11.838 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -20.075 -18.459 10.133 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -20.813 -19.105 10.116 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -19.288 -18.991 9.894 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -16.672 -22.223 18.558 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.104 -22.603 19.267 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -16.809 -21.313 18.830 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -19.887 -28.150 23.455 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.645 -27.907 24.001 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -19.129 -28.162 24.087 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -22.968 -14.923 15.279 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -22.657 -14.608 14.403 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -23.925 -14.830 15.238 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -21.918 -14.274 12.771 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -21.289 -13.569 12.484 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -22.300 -14.596 11.946 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.743 -17.376 23.979 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.285 -17.698 23.185 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -16.656 -17.708 23.874 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -10.160 -16.244 25.990 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -9.457 -16.886 25.839 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -9.898 -15.792 26.820 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.248 -16.234 20.586 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.096 -17.181 20.757 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.990 -15.999 21.188 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.329 -15.795 22.318 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.391 -16.748 22.560 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -19.244 -15.528 22.170 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -14.501 -12.619 24.602 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -15.231 -13.261 24.436 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -14.647 -11.914 23.932 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -16.270 -25.618 23.390 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -15.964 -24.693 23.333 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -16.750 -25.657 24.241 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -19.869 -12.712 11.822 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -19.450 -11.897 11.477 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -19.113 -13.276 12.084 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -19.881 -18.378 12.911 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -19.888 -18.226 11.947 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -19.748 -17.489 13.291 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -18.784 -24.781 21.104 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -19.228 -24.643 20.236 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -19.168 -24.106 21.680 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -18.994 -24.827 15.918 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -18.167 -24.280 15.948 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -19.408 -24.577 15.067 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -24.704 -26.256 17.084 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -23.847 -25.841 17.265 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -24.572 -26.714 16.237 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.501 -10.297 19.976 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -12.524 -9.471 20.493 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -12.077 -10.941 20.585 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.916 -16.047 9.215 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -18.062 -16.491 9.393 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -19.584 -16.707 9.484 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -17.828 -14.481 12.549 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -17.098 -15.144 12.472 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.505 -14.940 13.092 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.603 -17.828 26.491 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.425 -18.208 26.862 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.858 -17.548 25.591 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -18.030 -22.924 11.209 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -18.453 -23.154 12.057 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -17.344 -22.281 11.453 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -17.133 -18.861 26.973 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -17.828 -18.400 26.496 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -17.111 -19.754 26.564 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -17.197 -21.382 25.961 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.593 -21.991 25.307 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.238 -21.575 25.922 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -12.165 -17.722 27.643 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -13.066 -17.766 27.235 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -11.653 -17.177 27.020 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.826 -31.234 23.087 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -23.605 -31.778 22.956 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -22.938 -30.866 23.993 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -19.446 -23.678 29.089 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -19.238 -22.794 28.711 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -20.002 -23.485 29.846 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -17.640 -25.617 28.466 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -18.356 -24.963 28.649 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -17.120 -25.633 29.294 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.980 -25.015 26.700 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.940 -24.686 27.626 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.012 -24.214 26.169 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -11.307 -11.701 21.976 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -11.146 -11.272 22.842 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -11.828 -12.499 22.202 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -10.231 -14.883 23.518 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -11.122 -14.464 23.457 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -10.240 -15.340 24.387 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -9.387 -15.131 28.476 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -9.605 -14.240 28.123 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -8.963 -14.946 29.342 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -12.645 -13.828 23.014 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -13.247 -13.456 23.695 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.255 -14.159 22.312 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -14.918 -10.953 22.462 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.821 -11.403 21.596 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.673 -10.369 22.340 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -19.747 -25.169 18.567 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -19.442 -24.822 17.698 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.632 -26.133 18.488 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -22.178 -25.167 14.841 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -21.503 -24.596 14.432 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -22.180 -24.902 15.782 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -21.503 -27.887 7.250 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -22.148 -28.230 7.909 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -21.802 -28.284 6.404 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -20.178 -23.726 13.438 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -20.509 -24.133 12.611 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -20.292 -22.758 13.290 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -16.272 -12.338 13.103 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -16.853 -13.114 12.933 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -15.705 -12.295 12.326 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -16.075 -27.488 27.163 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -16.711 -27.044 27.764 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -15.484 -26.760 26.870 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -12.547 -12.573 26.501 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -12.966 -12.845 27.327 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -13.286 -12.573 25.846 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -15.219 -24.590 41.464 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -16.000 -25.013 41.860 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -15.382 -24.638 40.499 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -9.999 -23.548 41.613 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -10.889 -23.722 41.231 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -9.962 -24.136 42.393 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -15.411 -25.058 38.722 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -14.721 -25.664 38.419 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.555 -24.458 37.952 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -12.515 -24.625 41.237 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.472 -24.471 41.431 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -12.170 -25.042 42.055 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -18.760 -21.190 28.181 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -18.460 -20.308 28.427 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -18.237 -21.405 27.381 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -13.975 -21.569 31.021 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.983 -20.805 30.404 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.434 -21.268 31.756 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -13.592 -19.152 29.669 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.314 -18.516 29.643 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -12.939 -18.794 29.038 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -16.114 -25.703 30.835 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.749 -25.156 31.568 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.050 -26.610 31.160 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -14.907 -23.862 29.192 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.740 -23.097 29.765 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -15.325 -24.519 29.785 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -14.796 -23.894 32.470 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.272 -23.827 33.296 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -14.587 -23.074 31.985 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -17.434 -26.150 42.360 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -18.300 -25.778 42.561 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -17.495 -26.398 41.406 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -9.718 -17.761 29.041 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -10.608 -17.942 28.681 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -9.579 -16.809 28.858 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -10.384 -17.758 35.897 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -11.018 -18.301 36.409 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -9.684 -18.391 35.634 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -12.163 -19.409 37.433 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -11.870 -19.542 38.345 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.097 -19.176 37.513 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -15.578 -23.762 36.307 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -14.753 -23.726 35.779 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.273 -23.860 35.650 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.286 -23.675 34.773 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -12.657 -24.421 34.683 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.791 -23.010 35.303 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -11.781 -22.052 36.407 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -10.805 -21.966 36.366 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -12.082 -21.169 36.686 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -11.049 -25.368 34.652 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -10.298 -24.729 34.687 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -10.866 -25.899 33.856 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -10.993 -25.830 43.148 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -11.669 -26.220 43.750 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -10.354 -26.553 43.014 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.519 -26.636 39.391 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -12.283 -26.191 38.539 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.634 -25.888 40.023 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -17.341 -28.066 37.442 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -17.627 -28.837 36.914 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -16.369 -28.102 37.410 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -16.878 -31.060 38.668 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -16.231 -31.773 38.512 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -17.302 -30.929 37.799 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -11.942 -31.509 33.258 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -11.691 -30.652 32.842 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -11.510 -32.185 32.681 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -8.874 -4.393 -15.125 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -8.215 -4.834 -15.709 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -9.661 -4.946 -15.197 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.414 -2.625 -11.919 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.134 -2.008 -11.649 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.515 -2.701 -12.874 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -13.468 -3.987 -8.483 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -14.073 -3.226 -8.593 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -14.068 -4.766 -8.431 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.231 1.163 -10.031 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.336 1.537 -10.173 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.574 1.653 -9.251 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.000 -6.232 -8.377 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -14.778 -7.159 -8.511 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -15.966 -6.237 -8.241 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -15.120 -1.783 -8.839 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -14.863 -1.483 -9.738 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -15.059 -0.971 -8.291 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -18.284 0.821 -13.440 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -18.747 0.325 -14.123 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -18.984 1.269 -12.954 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -17.065 -8.397 -9.112 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -17.277 -8.202 -10.030 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.447 -7.640 -8.613 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -11.985 4.450 -6.259 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -11.932 4.871 -5.397 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -11.066 4.468 -6.594 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -15.638 0.852 -12.808 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -16.602 0.755 -12.977 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -15.380 1.604 -13.347 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -11.476 -4.622 -10.215 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.206 -4.527 -9.563 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -11.760 -4.070 -10.968 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -10.064 0.044 -14.195 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -9.531 -0.513 -14.814 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -10.932 0.080 -14.601 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -10.715 -11.212 -9.027 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -11.110 -10.982 -9.889 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -10.911 -12.165 -8.923 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -16.013 -10.751 -8.247 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -16.290 -9.863 -8.581 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -16.820 -11.277 -8.286 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -11.513 -5.553 -1.041 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -11.483 -4.936 -1.790 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -12.457 -5.546 -0.770 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.558 -3.177 -3.538 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -15.537 -3.949 -4.157 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -15.136 -2.450 -4.051 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -11.451 -8.044 4.277 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -11.669 -7.915 5.216 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -11.874 -8.897 4.051 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.762 -1.536 -1.315 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.813 -2.287 -1.940 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -14.993 -1.742 -0.755 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -9.404 -7.371 2.580 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -10.144 -7.475 3.222 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -9.632 -6.560 2.079 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -19.085 2.262 -3.383 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -19.370 2.759 -2.607 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -19.216 2.873 -4.118 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -14.340 -1.180 -4.916 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -14.513 -0.794 -5.793 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -14.551 -0.456 -4.292 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -14.088 -6.211 -0.569 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -14.242 -6.488 -1.506 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -14.894 -5.740 -0.327 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -14.112 -0.609 -11.107 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -14.710 -0.120 -11.721 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -13.512 0.084 -10.755 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -16.770 -3.537 -7.590 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -16.281 -2.872 -8.125 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -17.214 -3.009 -6.896 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -17.897 -2.589 -5.220 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -17.272 -2.974 -4.581 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -18.052 -1.682 -4.883 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -12.954 2.259 -7.590 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -12.395 1.680 -7.023 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -12.804 3.160 -7.226 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -17.761 -6.023 -7.923 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -17.412 -5.109 -8.050 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -18.525 -5.896 -7.322 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -18.085 -0.245 -3.698 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -18.517 0.639 -3.629 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -18.272 -0.665 -2.849 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -15.061 0.542 -7.432 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -14.312 1.177 -7.501 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -15.831 1.057 -7.696 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -14.496 -9.248 10.535 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -13.904 -8.775 11.156 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -15.393 -9.109 10.905 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -11.340 0.801 -5.983 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -10.587 1.403 -5.765 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -11.536 0.350 -5.132 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -11.425 -0.469 -3.558 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -11.947 -0.049 -2.842 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -10.523 -0.541 -3.187 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -15.472 0.505 -3.051 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -16.333 0.567 -3.506 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -15.638 -0.135 -2.318 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -15.468 -4.905 -5.562 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -15.813 -4.514 -6.390 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -15.503 -5.872 -5.721 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -13.097 -3.630 -2.399 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -14.037 -3.618 -2.661 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -13.045 -2.989 -1.657 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -7.041 -8.939 9.843 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -7.271 -9.594 9.149 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -6.314 -9.351 10.322 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -12.512 -8.688 6.955 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -12.476 -9.613 6.659 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -13.462 -8.546 7.171 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -15.087 -8.583 7.946 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -15.965 -9.004 7.944 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -14.770 -8.700 8.864 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -15.840 -11.787 -1.529 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -15.574 -11.405 -0.660 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -16.364 -12.576 -1.288 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -19.531 -4.765 -6.217 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -18.995 -4.027 -5.868 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -20.431 -4.431 -6.204 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -15.456 -12.878 8.578 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -16.380 -12.893 8.910 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -15.091 -13.753 8.857 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -11.786 -6.119 19.880 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -12.069 -5.391 19.296 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -10.930 -5.811 20.256 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -17.987 -6.448 17.959 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -18.743 -5.849 17.954 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -18.241 -7.159 17.353 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -15.395 -6.844 18.668 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -16.365 -6.662 18.660 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -15.156 -6.841 19.624 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -14.238 -6.515 21.155 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -13.356 -6.320 20.776 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -14.283 -5.952 21.966 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -13.764 -10.378 14.824 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -14.628 -10.784 15.028 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -13.960 -9.758 14.102 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -14.880 -6.468 25.801 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -15.649 -6.395 26.380 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -14.227 -6.942 26.330 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -11.182 -6.274 13.756 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -11.810 -6.282 14.517 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -11.058 -5.338 13.563 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -15.452 -7.301 15.926 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -16.298 -7.783 15.783 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -15.472 -7.064 16.877 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -11.441 -7.540 9.291 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -11.794 -8.068 8.543 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -11.478 -6.630 8.973 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -12.909 -6.327 15.838 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -13.005 -5.625 16.516 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -13.806 -6.720 15.775 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -14.132 -5.162 23.520 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -13.920 -4.317 23.922 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -14.469 -5.706 24.268 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -13.576 -4.866 18.049 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -14.040 -4.031 18.183 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -14.225 -5.549 18.329 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -12.616 -7.687 11.874 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -12.161 -7.662 11.006 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -11.976 -7.274 12.490 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -14.801 -9.994 17.700 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -15.494 -10.314 17.096 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -15.097 -9.111 17.959 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -17.708 -8.887 15.831 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -17.203 -9.723 15.703 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -18.609 -9.118 15.578 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -7.613 -38.071 4.693 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -8.095 -38.925 4.665 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -8.051 -37.576 5.411 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -8.982 -33.827 4.766 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -9.219 -33.653 5.704 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -8.025 -33.642 4.722 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -9.631 -35.651 1.692 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -10.001 -35.928 2.560 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -8.667 -35.785 1.794 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -1.826 -32.368 4.762 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -2.422 -33.040 4.371 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.942 -31.579 4.192 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -11.402 -37.040 0.155 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -10.720 -36.475 0.581 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -12.122 -36.432 -0.046 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -4.840 -37.158 4.835 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -5.192 -36.662 5.598 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -5.537 -37.800 4.631 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.273 -35.670 6.656 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -6.000 -35.253 7.484 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -7.162 -36.046 6.857 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 5.643 -28.582 4.440 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 5.651 -28.910 5.365 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 6.501 -28.840 4.091 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -2.290 -33.508 8.702 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -1.762 -34.027 8.072 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -2.440 -32.658 8.241 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -9.724 -33.390 7.417 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -9.469 -33.681 8.321 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -10.689 -33.206 7.492 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -7.604 -33.932 12.138 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -7.759 -33.046 12.478 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -6.980 -34.329 12.780 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 5.469 -29.577 7.002 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 4.994 -29.306 7.817 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 5.193 -30.512 6.871 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 1.271 -28.748 8.162 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 1.209 -28.702 7.180 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 1.216 -27.828 8.444 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -7.862 -28.038 -2.735 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -7.303 -28.282 -1.963 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -7.304 -28.213 -3.495 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -9.006 -40.527 4.817 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -8.641 -41.415 4.729 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -9.908 -40.596 4.410 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -9.445 -34.087 10.059 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -10.130 -33.505 10.478 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -8.737 -34.146 10.740 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -3.425 -34.679 4.407 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -4.331 -34.315 4.336 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -3.557 -35.643 4.362 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -7.085 -36.325 2.618 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.315 -36.962 3.334 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -6.399 -36.777 2.111 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 0.210 -29.315 1.905 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 1.177 -29.461 1.758 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -0.210 -29.827 1.206 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -2.969 -28.830 5.999 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -2.586 -29.129 5.143 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -2.618 -27.930 6.116 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 3.006 -30.083 5.134 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.225 -29.504 5.254 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 3.705 -29.480 4.840 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -11.514 -40.709 3.842 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -11.528 -40.300 2.953 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -12.423 -40.575 4.180 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -0.160 -27.022 3.356 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 0.039 -27.774 2.753 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 0.560 -26.377 3.184 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -9.453 -31.027 1.042 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -8.502 -31.141 1.116 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -9.827 -31.789 1.535 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -2.434 -32.546 11.317 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -2.960 -33.244 11.774 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -2.389 -32.854 10.385 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -0.923 -34.391 6.363 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -1.046 -33.564 5.845 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -1.550 -35.010 5.962 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -1.402 -40.677 13.993 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -2.223 -40.202 14.160 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -1.299 -40.647 13.037 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -1.064 -38.134 10.118 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -1.618 -37.871 9.377 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -0.165 -37.979 9.811 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -9.807 -38.804 12.583 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -9.417 -38.696 11.694 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -10.564 -39.405 12.435 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -11.890 -39.795 11.016 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -11.114 -39.535 10.486 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -12.625 -39.270 10.636 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -11.212 -29.499 -0.403 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -11.950 -30.138 -0.370 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -10.474 -29.967 0.051 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.558 -36.086 4.211 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -9.815 -35.610 4.625 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -11.332 -35.474 4.341 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 8.448 -25.725 8.060 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 7.587 -26.026 7.688 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 8.749 -26.471 8.588 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 6.129 -26.826 7.127 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 5.222 -26.480 7.297 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 6.006 -27.789 7.061 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -0.201 -30.888 9.057 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -0.951 -30.995 8.434 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 0.292 -30.116 8.709 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 1.685 -32.779 9.598 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 1.784 -33.236 8.739 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 0.996 -32.098 9.429 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -14.041 -35.860 2.042 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -14.235 -35.521 2.952 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -13.571 -36.697 2.204 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -9.895 -39.203 7.028 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -10.821 -39.057 6.784 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -9.545 -39.777 6.312 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -11.368 -39.415 1.383 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -11.325 -38.560 0.885 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -11.334 -40.088 0.696 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -8.158 -31.119 7.086 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -7.436 -31.346 7.675 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -8.776 -31.871 7.163 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -4.071 -25.707 4.298 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -3.526 -25.690 5.109 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -4.734 -26.400 4.473 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 1.167 -28.115 5.516 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 0.518 -27.833 4.840 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 1.822 -27.371 5.546 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -6.206 -34.252 4.294 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -6.525 -34.877 3.609 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -6.227 -34.774 5.123 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -2.202 -31.201 7.193 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -2.028 -31.631 6.327 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -2.600 -30.337 6.952 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 4.795 -26.669 10.009 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 4.375 -26.211 9.249 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 4.598 -27.610 9.854 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 4.749 -35.048 19.734 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 4.149 -35.131 20.494 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 5.082 -34.139 19.796 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -5.374 -33.271 22.381 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -4.460 -33.524 22.117 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -5.293 -33.025 23.316 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 4.022 -34.223 17.221 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 4.251 -33.320 17.477 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 4.233 -34.758 18.020 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -10.935 -35.457 20.144 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -11.580 -35.532 19.411 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -10.060 -35.556 19.702 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -0.109 -40.491 16.399 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -0.575 -40.619 15.546 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.757 -40.875 16.255 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -5.653 -38.033 19.237 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -5.779 -37.071 19.334 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -6.364 -38.302 18.620 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -11.274 -32.716 11.476 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.099 -33.047 12.383 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -12.204 -32.404 11.506 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 1.507 -29.392 21.814 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 1.603 -29.965 22.605 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 1.923 -29.900 21.099 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 4.939 -32.686 12.868 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 4.787 -33.287 13.625 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 5.658 -33.120 12.367 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 4.371 -30.017 23.485 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 4.457 -29.792 22.527 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 3.465 -30.373 23.566 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 1.621 -34.783 15.962 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 0.994 -34.152 16.333 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 2.441 -34.635 16.473 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 2.502 -36.423 14.011 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.862 -37.117 13.838 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 2.062 -35.851 14.684 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -1.996 -37.543 24.426 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.778 -37.028 24.138 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -1.461 -36.898 24.920 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -1.011 -33.267 14.500 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -1.270 -34.081 14.038 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -1.824 -32.998 14.998 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -3.481 -34.645 19.306 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -2.682 -35.133 19.042 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -3.272 -34.327 20.212 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 2.258 -32.892 12.240 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 3.234 -32.902 12.333 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 2.110 -32.898 11.264 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -5.721 -32.244 25.075 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -6.076 -32.149 25.993 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -6.329 -31.703 24.529 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -9.383 -37.804 15.199 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -9.221 -38.396 14.443 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -10.106 -37.230 14.896 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -0.087 -34.761 12.028 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -0.353 -34.140 11.337 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 0.744 -34.388 12.375 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -13.122 -33.443 23.487 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -13.833 -33.635 22.820 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -12.286 -33.626 23.000 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 1.785 -33.910 7.069 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 2.245 -34.409 6.386 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 0.834 -34.083 6.894 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -6.107 -35.334 19.765 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -5.223 -34.972 19.537 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -6.049 -35.520 20.725 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -7.888 -37.833 17.518 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -8.221 -37.017 17.937 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.401 -37.901 16.685 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -1.201 -36.347 19.612 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -1.976 -36.905 19.817 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -0.646 -36.920 19.039 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -2.958 -38.521 19.517 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -2.860 -38.849 20.437 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -3.931 -38.453 19.386 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -2.103 -38.948 22.095 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -1.168 -39.050 21.895 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -2.114 -38.550 22.993 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -5.858 -36.632 22.189 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -5.131 -36.370 22.797 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -5.531 -37.438 21.760 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -8.215 -35.601 23.323 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -8.123 -34.690 22.998 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -7.465 -36.079 22.910 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 0.453 -31.929 16.355 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 0.018 -32.553 15.733 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -0.210 -31.211 16.465 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 3.022 -34.060 21.734 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 2.855 -33.819 22.657 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 2.180 -34.482 21.440 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -0.496 -31.879 25.084 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -1.337 -31.425 25.282 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -0.682 -32.368 24.244 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -8.580 -35.373 18.680 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -7.683 -35.406 19.090 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -8.651 -34.461 18.344 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -10.667 -33.542 22.306 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -10.761 -34.208 21.593 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -9.707 -33.319 22.297 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -1.013 -35.243 25.651 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -0.265 -34.880 25.137 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -1.749 -34.623 25.476 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -3.076 -30.971 25.071 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -2.758 -30.157 24.612 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -4.043 -30.931 24.980 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 4.200 -31.919 26.877 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 3.493 -32.592 26.757 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 5.006 -32.449 27.074 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 4.883 -30.038 13.833 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 5.206 -30.834 13.373 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 4.049 -30.331 14.245 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 0.551 -35.212 21.416 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.058 -35.699 20.718 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -0.121 -34.616 21.805 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -8.764 -36.711 7.016 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -9.117 -37.621 7.110 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -9.394 -36.163 7.521 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 3.829 -29.175 9.154 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 2.939 -29.091 8.748 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 3.795 -30.017 9.627 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 4.734 -34.900 14.563 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 4.570 -34.723 15.512 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 3.992 -35.492 14.298 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -5.999 -34.731 14.276 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -5.560 -34.229 15.008 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -6.314 -35.536 14.703 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -3.803 -35.665 23.713 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -3.737 -35.084 24.491 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -3.383 -35.135 22.983 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -0.457 -38.593 18.307 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -1.387 -38.731 18.578 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.309 -39.262 17.604 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -4.580 -33.697 16.355 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -4.335 -33.980 17.249 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -3.957 -32.954 16.159 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.702 -38.682 9.743 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.637 -39.070 8.848 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -10.051 -37.775 9.584 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -1.996 -36.722 12.305 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -1.261 -36.070 12.311 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -1.750 -37.349 11.599 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -7.558 -30.547 23.940 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -6.989 -29.743 23.821 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -7.849 -30.497 24.880 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 2.509 -31.326 14.543 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 1.902 -31.695 15.215 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 2.416 -31.933 13.777 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 1.789 -30.737 24.147 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.125 -30.314 24.967 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 0.995 -31.238 24.447 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -5.832 -35.946 31.206 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -5.490 -36.640 30.638 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -6.678 -35.690 30.787 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -3.572 -34.508 12.758 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -3.182 -35.406 12.667 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -4.398 -34.654 13.259 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -3.380 -33.630 25.640 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -2.943 -32.778 25.430 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -4.334 -33.423 25.573 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 1.960 -33.550 26.734 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 1.049 -33.631 27.043 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 1.915 -33.811 25.793 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 4.002 -31.933 6.889 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 3.537 -31.392 6.213 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 3.323 -32.547 7.208 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 1.164 -34.448 24.105 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 0.487 -33.869 23.678 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 1.251 -35.196 23.491 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 3.035 -32.409 29.734 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 2.794 -33.059 29.055 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 3.876 -32.754 30.109 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 6.621 -34.848 12.535 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 6.989 -35.721 12.392 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 6.023 -34.961 13.304 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 4.305 -32.283 19.999 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 3.878 -32.831 20.689 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 3.558 -31.785 19.595 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 2.270 -30.836 18.917 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 2.623 -30.035 18.491 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.656 -31.205 18.260 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -8.032 -32.860 22.473 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -7.104 -33.083 22.220 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.960 -31.965 22.870 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 2.808 -29.639 26.421 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 2.267 -29.727 27.234 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 3.445 -30.388 26.478 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -12.631 -30.945 35.791 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -12.378 -31.136 34.856 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -12.528 -31.793 36.240 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.130 -24.993 40.068 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 0.863 -24.680 40.608 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -0.664 -24.873 40.645 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -0.368 -30.851 30.905 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.813 -31.695 30.686 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -0.798 -30.572 31.740 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -4.922 -31.239 41.828 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -4.537 -30.706 42.567 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -5.503 -31.864 42.270 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -10.933 -33.264 31.520 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -11.269 -34.171 31.497 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -9.953 -33.367 31.566 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 3.425 -28.110 36.111 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 4.367 -28.123 35.918 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 3.037 -28.754 35.465 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -0.262 -29.872 35.068 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -0.517 -30.279 35.907 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -0.866 -30.280 34.409 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -4.483 -33.176 35.290 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -4.535 -32.210 35.437 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -4.484 -33.272 34.320 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -7.749 -31.988 38.951 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -6.774 -32.078 38.957 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -8.080 -32.910 39.085 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.978 -30.947 33.182 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -2.858 -30.732 33.528 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -2.137 -31.702 32.575 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.402 -29.912 40.592 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -7.549 -29.446 40.480 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -8.317 -30.697 40.008 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 4.837 -30.021 28.815 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 5.742 -29.898 28.467 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 4.477 -30.754 28.279 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -13.616 -31.939 41.471 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -14.010 -31.150 41.889 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -12.684 -31.697 41.336 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -9.216 -34.283 39.197 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -9.379 -35.223 39.313 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -10.110 -33.893 39.102 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -4.181 -34.208 32.647 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -4.048 -34.970 33.221 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -4.876 -34.505 32.017 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -4.280 -34.024 37.850 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -4.287 -33.736 36.906 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -4.293 -34.983 37.803 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -2.381 -32.804 31.121 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -2.558 -33.129 30.214 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -3.024 -33.301 31.680 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 2.263 -30.602 31.696 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 1.304 -30.666 31.509 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 2.662 -31.274 31.106 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -4.986 -31.721 39.047 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -4.701 -31.697 39.987 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -4.637 -32.584 38.711 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -8.022 -35.396 29.530 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -7.468 -35.184 28.744 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -8.906 -35.582 29.154 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -4.409 -30.602 36.486 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -4.426 -29.649 36.692 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -4.559 -31.033 37.346 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -0.559 -27.459 39.071 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 0.267 -27.936 38.834 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -0.244 -26.629 39.480 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.004 -33.792 28.575 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -3.186 -33.684 27.624 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -2.500 -34.639 28.624 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 5.594 -26.546 27.893 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 5.812 -26.744 28.827 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 5.297 -27.390 27.536 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -8.210 -33.489 31.509 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -7.328 -33.089 31.528 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -8.152 -34.158 30.796 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -9.558 -28.100 42.324 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -9.085 -28.775 41.792 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -10.508 -28.289 42.155 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 1.588 -30.128 28.814 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 0.772 -30.319 29.310 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.181 -30.879 29.035 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -1.547 -36.057 28.195 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -1.236 -35.825 27.293 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -1.585 -37.017 28.192 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -5.336 -32.925 29.823 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -4.537 -33.322 29.428 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -5.894 -32.696 29.055 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -6.652 -34.646 27.295 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -6.678 -33.668 27.384 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -6.895 -34.808 26.376 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 5.527 -33.403 30.699 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 5.817 -34.340 30.775 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 6.098 -32.928 31.328 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -9.605 -31.322 37.108 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -8.872 -31.503 37.741 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -9.262 -31.621 36.255 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.390 -29.774 34.279 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 2.385 -30.104 33.357 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 1.458 -29.867 34.573 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -11.009 -30.889 40.877 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -10.057 -30.669 40.916 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -11.457 -30.028 41.027 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -4.132 -29.613 43.839 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -3.838 -29.404 44.729 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -3.822 -28.849 43.297 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 1.885 -28.517 38.350 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 2.468 -29.115 38.824 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 2.389 -28.281 37.541 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -5.788 -29.275 40.007 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -5.652 -30.051 39.425 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -5.367 -29.536 40.847 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 5.431 -30.016 31.503 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 4.606 -30.096 32.005 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 5.146 -30.073 30.562 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -1.193 -17.275 -18.904 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -1.821 -17.807 -18.364 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -1.761 -16.746 -19.471 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -7.044 -17.708 -12.840 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -7.629 -18.261 -13.385 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -6.286 -18.292 -12.640 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 2.634 -11.923 -18.634 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 3.349 -11.519 -18.110 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 3.105 -12.453 -19.320 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -5.900 -15.844 -17.481 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -6.665 -16.393 -17.739 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.300 -15.041 -17.101 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -1.541 -11.362 -14.921 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -2.237 -11.743 -14.352 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -1.944 -11.323 -15.807 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 3.460 -16.576 -20.156 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 3.591 -17.344 -20.723 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 2.723 -16.842 -19.558 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -2.839 -18.973 -17.584 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -2.519 -19.248 -16.691 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -3.649 -19.508 -17.720 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -7.245 -13.416 -17.078 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -7.326 -12.521 -16.688 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -6.646 -13.284 -17.849 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -5.288 -15.693 -13.964 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -5.422 -16.583 -14.342 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -4.488 -15.362 -14.420 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 0.862 -10.701 -16.922 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 1.361 -11.125 -17.653 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -0.074 -10.796 -17.183 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 2.102 -14.529 -17.738 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 3.023 -14.843 -17.642 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 2.189 -13.672 -18.198 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 4.453 -17.511 -15.926 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 4.424 -16.950 -16.730 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 5.268 -17.234 -15.480 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 3.663 -13.784 -20.312 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 3.492 -14.747 -20.343 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 4.259 -13.626 -21.050 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -0.393 -18.171 -13.720 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -0.999 -18.663 -14.305 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 0.422 -18.080 -14.245 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.564 -19.126 -18.949 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -6.319 -19.280 -19.866 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.012 -19.760 -18.443 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -4.930 -17.782 -15.782 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -4.000 -17.974 -15.973 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -5.176 -17.100 -16.446 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -10.328 -18.863 -11.968 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -10.242 -18.095 -12.566 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -10.816 -18.510 -11.196 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -1.922 -10.780 -17.667 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -2.440 -11.089 -18.431 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -2.204 -9.854 -17.547 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -11.554 -14.080 -11.851 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -12.005 -14.922 -12.066 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -11.023 -13.885 -12.659 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -8.799 -15.372 -15.932 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -8.635 -16.108 -16.564 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -8.264 -14.629 -16.289 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -5.445 -10.849 -21.861 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -5.493 -10.857 -22.825 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -6.367 -10.879 -21.576 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -1.932 -5.476 -17.339 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -1.867 -4.925 -18.148 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -1.053 -5.918 -17.275 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 1.463 -21.449 -6.075 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 2.080 -21.558 -5.311 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 0.586 -21.703 -5.712 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 1.558 -20.236 -12.170 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 1.945 -20.338 -13.061 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 1.936 -19.396 -11.842 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -6.063 -20.162 -15.148 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -6.997 -20.008 -14.902 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -5.712 -19.261 -15.337 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 1.442 -17.094 -18.338 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 0.492 -17.215 -18.571 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 1.501 -16.154 -18.054 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -8.637 -19.563 -14.136 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -9.140 -20.216 -14.685 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -9.063 -19.618 -13.256 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 2.868 -20.223 -14.668 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 2.312 -19.504 -15.041 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 3.765 -19.988 -14.935 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 3.417 -9.496 -12.968 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 2.905 -9.002 -12.291 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 3.087 -9.143 -13.818 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -0.743 -20.527 -18.615 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -1.473 -19.916 -18.418 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -0.188 -20.044 -19.233 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -2.234 -19.778 -15.085 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -2.468 -19.954 -14.150 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -1.805 -20.620 -15.388 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -8.248 -17.401 -17.725 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -9.108 -17.679 -18.056 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -7.620 -18.066 -18.103 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -10.355 -21.303 -15.254 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -10.892 -21.368 -14.432 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -10.751 -21.949 -15.846 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 5.601 -10.786 -11.758 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 4.975 -10.169 -12.188 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 5.789 -10.372 -10.897 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -3.470 -11.105 -20.025 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -4.211 -10.984 -20.671 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -2.689 -10.807 -20.508 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -5.278 -13.180 -18.966 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -4.962 -14.083 -18.809 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -4.547 -12.747 -19.437 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 1.569 -22.498 -15.417 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 2.131 -23.228 -15.148 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 2.044 -21.698 -15.105 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -0.963 -21.859 -16.231 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -0.107 -22.220 -15.910 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -0.761 -21.534 -17.133 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 4.700 -15.647 -17.899 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 4.485 -16.023 -18.780 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 5.167 -14.797 -18.108 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -7.682 -17.697 -8.720 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -7.497 -17.990 -7.807 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -8.640 -17.517 -8.717 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -4.964 -14.787 -9.108 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -4.300 -14.180 -8.717 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -4.794 -15.647 -8.666 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.161 -19.663 -12.519 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -5.420 -20.122 -13.344 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.181 -19.750 -12.493 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -4.886 -20.822 -17.553 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -4.379 -21.644 -17.500 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -5.312 -20.745 -16.666 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -0.077 -21.129 -10.211 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 0.611 -21.512 -9.630 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 0.414 -20.895 -11.034 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 3.196 -15.397 -10.517 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 3.626 -14.746 -11.114 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 3.892 -15.611 -9.857 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -5.439 -18.798 -9.914 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -6.346 -18.441 -9.773 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -5.433 -19.085 -10.854 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -2.733 -20.884 -9.812 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.113 -21.500 -9.174 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -1.778 -21.130 -9.849 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -2.459 -19.893 -12.341 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -2.539 -20.315 -11.454 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -1.550 -19.549 -12.360 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 2.140 -21.805 -8.702 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 2.793 -22.506 -8.801 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 1.923 -21.812 -7.740 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -5.019 -10.149 -17.678 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -4.736 -10.734 -18.400 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -4.414 -9.381 -17.741 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 1.597 -13.993 -8.892 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 2.054 -14.507 -9.596 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 2.076 -14.244 -8.071 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -9.970 -17.110 -14.133 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -9.584 -16.429 -14.724 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -9.510 -17.934 -14.392 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 5.107 -16.098 -8.682 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 5.344 -16.831 -9.277 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 5.963 -15.659 -8.491 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 2.750 -18.016 -11.069 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 2.796 -17.035 -11.032 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 3.675 -18.290 -11.142 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 1.753 -17.981 -15.710 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 1.512 -17.858 -16.651 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 2.699 -17.714 -15.671 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 0.300 -7.113 -16.965 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 1.036 -6.894 -17.575 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 0.710 -7.684 -16.294 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 1.616 -11.770 -10.529 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 1.077 -11.060 -10.114 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 1.568 -12.511 -9.887 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -9.913 -11.877 -16.148 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -9.082 -11.349 -16.183 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -9.930 -12.343 -16.995 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -7.404 -10.724 -16.436 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -6.589 -10.570 -16.964 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -7.549 -9.876 -15.976 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -4.798 -9.306 -15.005 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -5.581 -8.725 -15.137 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -4.749 -9.823 -15.830 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 7.462 0.042 -28.977 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 7.250 -0.835 -29.298 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 6.744 0.592 -29.290 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -3.803 -19.938 2.046 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -3.576 -20.894 2.141 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -4.293 -19.891 1.194 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -14.089 -26.259 -1.469 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -13.649 -26.699 -2.201 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -14.976 -26.684 -1.430 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.248 -12.268 0.521 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -3.041 -12.677 0.924 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -1.734 -11.936 1.292 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 3.925 -23.507 3.173 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 4.548 -24.215 3.441 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 3.757 -23.001 4.013 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -5.595 -26.562 1.094 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -5.081 -25.726 1.168 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -6.518 -26.261 0.957 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.839 -23.365 1.073 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 1.670 -22.839 1.115 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 0.980 -24.085 1.715 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -5.118 -19.758 -0.454 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -5.575 -19.328 -1.203 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -4.798 -20.606 -0.830 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -1.693 -17.253 -2.995 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -1.985 -18.147 -2.716 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -0.794 -17.160 -2.595 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 0.542 -22.756 4.694 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 0.689 -23.665 4.374 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 1.441 -22.461 4.992 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -8.842 -18.442 -3.537 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -9.615 -18.643 -4.121 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -9.232 -17.984 -2.787 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -5.450 -27.936 5.214 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -6.155 -28.110 5.852 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.660 -28.372 5.604 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -3.956 -15.766 -3.415 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -4.045 -15.754 -4.377 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -3.085 -16.202 -3.261 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 0.851 -17.625 -1.979 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 0.793 -18.467 -2.473 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 1.668 -17.719 -1.448 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -2.582 -19.874 -2.600 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -2.742 -19.972 -3.565 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -3.133 -20.574 -2.196 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 3.376 -16.731 2.688 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 4.145 -16.273 3.109 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 3.668 -17.647 2.592 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -1.808 -17.537 -5.776 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -0.957 -17.315 -6.203 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -1.661 -17.334 -4.829 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -4.730 -13.377 -2.036 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -4.504 -14.191 -2.526 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -3.918 -12.828 -2.102 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 4.073 -14.652 -4.453 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 3.299 -14.193 -4.116 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 4.646 -14.757 -3.668 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 0.407 -9.655 -9.173 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 0.618 -8.873 -9.705 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 0.094 -9.292 -8.326 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -3.062 -13.114 -7.956 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -2.720 -12.412 -8.524 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -2.255 -13.615 -7.680 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 1.461 -19.282 -7.792 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 1.825 -19.908 -8.444 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 1.420 -19.808 -6.965 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 0.657 -22.455 -1.749 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 0.865 -21.539 -2.021 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 0.966 -22.510 -0.833 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -4.303 -21.953 -1.857 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -5.029 -22.600 -1.786 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -3.534 -22.484 -2.157 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -1.843 -23.167 -2.553 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -0.922 -22.849 -2.396 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -1.982 -23.828 -1.850 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -1.248 -18.863 2.324 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -2.107 -19.083 1.926 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -0.747 -19.709 2.290 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -5.418 -21.130 -8.458 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -5.861 -21.746 -9.048 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -5.234 -20.347 -9.021 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -13.812 -25.635 1.158 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -13.775 -24.660 1.287 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -13.898 -25.744 0.181 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -2.016 -25.134 2.656 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -1.421 -25.857 2.949 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -2.871 -25.331 3.109 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -6.540 -23.805 -1.051 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -6.907 -24.378 -0.351 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -7.206 -23.847 -1.757 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -4.498 -24.084 0.823 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -3.618 -24.125 0.396 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -5.105 -23.842 0.097 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -3.146 -22.512 2.692 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -2.432 -23.150 2.869 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -3.808 -23.036 2.197 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -5.448 -19.584 -6.195 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -6.374 -19.261 -6.181 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -5.447 -20.268 -6.904 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 1.871 -10.095 9.075 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 1.090 -10.359 9.595 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 1.574 -9.296 8.593 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -9.247 -24.764 -1.923 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -9.675 -25.656 -1.946 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -9.772 -24.238 -2.533 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -0.991 -21.878 -4.874 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -1.736 -21.299 -5.142 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -1.391 -22.502 -4.235 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 0.148 -20.061 -3.067 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 0.013 -20.658 -3.828 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -0.742 -19.971 -2.677 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.339 -17.218 -8.010 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.824 -17.867 -8.573 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -4.277 -17.654 -7.146 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -10.375 -17.192 -8.193 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -11.048 -17.308 -7.493 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -10.891 -17.257 -9.028 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 0.616 -16.827 -6.979 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 0.917 -17.724 -7.257 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 1.451 -16.336 -6.826 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 7.511 -8.816 -6.249 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 8.339 -9.093 -5.844 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 7.285 -7.999 -5.794 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 2.968 -21.928 -3.854 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 3.228 -21.398 -3.075 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 2.796 -22.803 -3.494 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -6.154 -18.691 -2.850 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -5.733 -19.067 -3.637 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -7.109 -18.672 -3.076 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -1.811 -24.217 0.081 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -1.933 -24.650 0.956 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -0.906 -23.859 0.121 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -0.301 -21.344 2.570 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 0.101 -21.749 3.371 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -0.061 -21.959 1.850 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 2.699 -11.866 4.662 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 2.872 -11.775 5.619 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 3.261 -11.175 4.252 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -0.751 -14.494 -7.588 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 0.050 -14.162 -8.045 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.476 -15.363 -7.231 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -2.939 -19.971 -5.294 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -2.514 -19.132 -5.589 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -3.862 -19.903 -5.631 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 3.040 -15.352 -6.951 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 3.788 -15.710 -7.476 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 3.442 -15.138 -6.079 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -6.604 -13.815 -7.122 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -7.524 -14.152 -7.107 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -6.194 -14.278 -7.876 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 4.718 -15.094 0.854 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 5.162 -14.751 1.658 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 3.970 -15.610 1.203 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 3.258 -18.447 -0.871 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 3.418 -19.379 -1.119 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 4.143 -18.037 -0.904 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 3.027 -21.728 1.354 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 3.467 -22.419 1.905 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 3.289 -20.889 1.778 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -8.132 -25.657 0.460 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -8.565 -25.378 -0.377 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -8.764 -26.271 0.857 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -2.293 -12.172 -2.143 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -1.492 -12.646 -2.391 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -2.258 -12.143 -1.153 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -7.288 -9.683 5.642 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -7.096 -8.743 5.705 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -7.505 -9.818 4.692 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 3.321 -11.578 7.357 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 2.741 -11.017 7.921 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 3.516 -12.345 7.910 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -4.426 -28.497 2.708 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -4.767 -27.808 2.100 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -4.952 -28.377 3.523 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 2.805 -29.769 1.164 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 3.243 -29.990 0.311 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 3.525 -29.759 1.801 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 4.312 -30.409 -1.062 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 5.281 -30.414 -1.220 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.943 -30.777 -1.867 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -10.298 -27.272 -1.827 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -10.727 -28.045 -1.406 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -9.475 -27.641 -2.222 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -6.272 -28.718 -0.612 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -5.962 -27.990 -0.039 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -6.016 -29.515 -0.140 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -2.147 -29.804 3.564 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -1.369 -29.494 3.064 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -2.915 -29.388 3.103 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 2.246 -17.160 24.961 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 1.716 -17.100 25.778 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 1.716 -16.688 24.305 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 5.299 -13.907 11.187 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 5.076 -13.098 10.697 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 5.673 -14.503 10.507 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 4.041 -14.310 26.342 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 4.246 -15.097 25.782 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 3.422 -14.651 27.018 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -8.675 -15.228 21.170 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -9.356 -15.744 20.706 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -9.059 -15.070 22.053 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 1.566 -10.065 27.259 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 1.237 -10.936 26.964 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.199 -9.805 26.563 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 4.891 -16.489 24.939 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 4.026 -16.945 24.845 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 5.469 -16.937 24.298 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 3.214 -9.098 14.745 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 3.330 -9.826 14.082 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 2.264 -9.082 14.903 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -8.917 -10.767 20.940 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -9.092 -9.844 21.212 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -9.718 -11.251 21.220 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -10.946 -11.121 24.685 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -10.574 -10.458 25.315 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -11.567 -11.641 25.231 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -7.571 -18.557 30.560 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -8.314 -18.141 30.059 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -7.636 -19.494 30.338 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 6.828 -14.240 26.418 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.860 -14.380 26.418 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 6.930 -13.311 26.644 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 2.434 -15.222 28.376 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.809 -15.851 27.961 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 3.145 -15.796 28.742 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 8.101 -12.189 17.910 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 8.193 -13.153 17.716 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 7.767 -11.810 17.067 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -9.916 -12.394 31.214 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -9.948 -12.269 32.166 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -9.387 -13.213 31.097 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -8.770 -12.525 23.736 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -9.491 -11.930 24.037 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -9.222 -13.375 23.558 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -9.781 -8.249 21.838 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -9.698 -7.390 21.385 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -10.749 -8.356 21.974 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 0.912 -13.034 28.862 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 1.511 -13.815 28.818 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 0.862 -12.725 27.937 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -1.404 -17.132 38.302 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -1.241 -16.992 37.343 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -1.945 -16.378 38.562 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 1.871 -18.357 41.439 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 2.318 -17.626 41.878 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 2.071 -19.123 41.986 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -8.488 -19.357 34.715 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -7.758 -18.766 34.428 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -8.898 -19.639 33.888 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 1.142 -18.314 38.778 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 1.405 -18.395 39.723 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 0.278 -17.856 38.811 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -2.544 -22.441 38.112 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -2.407 -21.507 37.851 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -1.741 -22.903 37.792 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 2.002 -20.471 34.764 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 1.804 -21.392 35.035 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 2.940 -20.507 34.464 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -9.112 -21.455 36.326 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -8.721 -21.416 37.234 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -8.785 -20.637 35.889 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -4.916 -21.847 45.305 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -4.370 -21.079 45.103 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -4.852 -21.939 46.262 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -8.986 -23.616 34.664 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -8.284 -23.349 34.066 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -9.039 -22.881 35.315 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -8.934 -15.399 36.205 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -8.953 -15.194 37.143 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -9.490 -16.199 36.123 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -0.503 -24.245 37.445 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -0.146 -24.461 38.332 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -1.053 -25.016 37.217 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -8.148 -21.403 38.870 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -8.797 -20.988 39.478 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -7.711 -22.079 39.420 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -9.547 -16.569 33.237 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -9.947 -16.807 34.093 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -10.112 -15.865 32.899 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -4.624 -28.046 37.828 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -4.871 -27.100 37.837 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -4.990 -28.395 38.667 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -0.826 -17.058 35.567 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -0.604 -17.997 35.747 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -0.015 -16.700 35.165 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 1.925 -17.542 34.797 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 2.555 -17.081 34.201 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 2.120 -18.487 34.669 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -3.041 -16.415 33.862 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -3.863 -16.496 34.394 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -2.322 -16.544 34.512 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.190 -23.343 43.382 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -6.918 -23.731 43.884 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -5.719 -22.776 44.039 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -5.402 -16.745 35.168 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -5.950 -17.113 34.442 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -5.302 -17.495 35.801 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 1.467 -11.674 33.776 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 1.474 -12.253 32.980 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 2.214 -11.980 34.296 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -2.682 -9.077 32.691 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -2.302 -8.430 33.329 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -3.581 -8.751 32.531 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -0.935 -11.216 29.869 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -0.348 -11.940 29.567 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.545 -10.932 30.725 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -0.109 -10.078 32.238 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -1.001 -9.980 32.634 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 0.407 -10.568 32.921 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -7.352 -23.223 40.835 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -6.891 -23.169 41.697 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -8.301 -23.295 41.078 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 0.131 -19.469 36.428 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 0.636 -19.217 37.232 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 0.817 -19.807 35.809 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -11.833 -25.104 37.293 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -11.527 -25.323 36.388 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -11.936 -24.138 37.280 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -4.918 -18.829 36.871 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -4.019 -19.191 37.009 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -5.459 -19.283 37.524 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -2.104 -24.643 41.547 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -2.554 -24.952 42.344 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -2.808 -24.224 41.022 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -2.342 -19.680 37.520 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -1.537 -19.760 36.962 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -2.181 -18.873 38.046 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -4.256 -23.573 39.853 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -3.583 -23.125 39.272 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -4.936 -22.896 39.991 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -1.537 -17.242 31.766 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -1.929 -17.972 31.243 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -2.206 -17.054 32.461 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 0.782 -15.881 31.736 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -0.133 -16.239 31.850 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 1.193 -16.492 31.087 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 7.332 -19.507 31.916 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 8.103 -18.906 31.849 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 6.577 -18.954 31.645 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 1.441 -13.231 31.547 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.238 -13.009 30.614 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 1.058 -14.130 31.668 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -4.241 -14.340 32.177 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -3.555 -14.234 31.510 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -3.906 -15.053 32.753 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -6.134 -11.666 34.447 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -5.268 -11.544 34.850 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -6.420 -12.562 34.759 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -5.190 -25.341 37.922 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -4.717 -25.124 37.105 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -4.778 -24.761 38.598 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.278 -16.169 32.855 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 2.367 -16.058 32.512 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 3.702 -15.294 32.690 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -6.632 -11.024 29.647 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -6.566 -11.325 30.575 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.345 -11.811 29.124 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -7.058 -17.644 33.135 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -7.901 -17.139 33.155 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -6.999 -17.970 32.212 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -5.823 -13.171 28.257 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -5.121 -13.839 28.287 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -6.361 -13.417 27.475 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -6.605 -14.237 35.254 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -6.039 -15.035 35.201 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -7.484 -14.588 35.510 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 3.369 -18.029 37.129 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 2.832 -17.631 36.421 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 2.736 -18.156 37.863 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -6.479 -12.710 31.970 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -6.472 -12.255 32.839 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -5.686 -13.296 32.004 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.080 -13.714 32.042 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.652 -13.296 31.390 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 3.177 -13.417 31.797 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -5.041 -18.743 29.550 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -5.866 -18.528 30.029 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -5.282 -18.665 28.615 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -2.409 -19.278 30.064 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -2.374 -20.258 30.052 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -3.366 -19.071 29.943 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 4.217 -17.106 29.365 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 3.436 -17.496 29.802 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 4.911 -17.124 30.056 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -4.990 -25.337 41.923 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -5.376 -24.662 42.522 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -4.823 -24.850 41.093 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -3.348 -27.544 42.279 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -3.951 -26.791 42.107 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -2.714 -27.513 41.550 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -8.329 -14.608 31.073 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -8.178 -15.392 31.619 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -7.573 -14.015 31.291 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 5.558 -17.314 31.801 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 4.691 -17.070 32.186 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 6.203 -17.047 32.485 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 7.055 -16.751 34.080 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 6.589 -17.463 34.584 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 6.949 -15.968 34.632 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 9.080 -17.462 32.320 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 9.817 -16.875 32.497 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 8.384 -17.171 32.947 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 4.303 -21.638 28.899 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 4.245 -22.156 28.068 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 4.622 -20.759 28.606 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 5.526 -18.553 35.467 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 5.066 -19.236 34.946 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 4.911 -18.365 36.211 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 4.497 -20.653 33.788 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 5.431 -20.892 33.962 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 4.315 -21.047 32.905 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 1.435 -23.180 35.376 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 0.734 -23.198 36.052 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 1.812 -24.092 35.404 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -9.901 -20.782 40.882 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -10.033 -21.713 41.147 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -10.012 -20.287 41.698 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 4.204 -22.179 31.532 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 4.236 -21.923 30.576 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 4.864 -22.893 31.607 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -2.208 -26.689 37.085 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -2.999 -27.260 37.085 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -1.681 -27.013 37.855 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 2.015 -25.843 35.307 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 1.132 -26.263 35.327 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 2.614 -26.534 35.656 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -0.004 -25.413 32.914 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 0.525 -24.708 33.330 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -0.173 -26.051 33.646 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -0.457 -27.085 35.009 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -0.354 -28.062 35.023 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -1.155 -26.909 35.680 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -3.340 -9.970 29.522 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -3.602 -9.504 30.335 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -2.570 -10.514 29.795 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -7.907 -25.932 42.104 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -6.962 -26.145 42.152 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -8.357 -26.773 42.334 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -9.327 -10.643 29.202 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -8.357 -10.625 29.359 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -9.674 -11.212 29.928 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -8.328 0.488 -12.192 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -8.973 0.402 -12.938 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -8.837 0.941 -11.489 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.797 -6.769 -15.904 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 3.405 -6.728 -16.807 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.227 -7.403 -15.430 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 1.481 -2.892 -16.017 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 2.108 -3.576 -15.744 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 1.972 -2.064 -15.903 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 2.631 -6.507 -18.336 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 2.642 -5.609 -18.725 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 3.170 -7.045 -18.959 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 5.488 -3.091 -12.847 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 5.090 -2.606 -12.114 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 5.070 -2.702 -13.648 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -4.331 -4.221 -13.935 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -3.935 -3.340 -14.051 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -5.284 -4.031 -13.765 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -6.333 -1.053 -9.359 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -5.976 -1.701 -8.711 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -5.534 -0.722 -9.834 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -6.129 -2.013 -16.628 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -5.467 -1.706 -15.987 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -5.602 -2.461 -17.325 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -3.164 -8.109 -17.377 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -2.482 -7.488 -17.686 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -3.824 -7.532 -16.936 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 6.005 -0.288 -16.422 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 6.954 -0.237 -16.184 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 5.931 0.253 -17.213 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.324 -2.063 -12.433 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.898 -1.972 -13.198 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -0.573 -1.890 -12.783 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.716 0.808 -12.823 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -5.776 1.557 -13.426 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.650 0.659 -12.531 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -7.866 -2.074 -11.349 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.361 -1.680 -10.604 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.293 -1.304 -11.774 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.601 -3.132 -9.933 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 0.608 -2.671 -10.806 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -0.307 -3.485 -9.860 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.383 -5.836 -16.157 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -3.571 -5.561 -16.637 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -4.366 -5.300 -15.336 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -0.597 -7.868 -12.446 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -1.113 -8.005 -13.271 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -1.084 -7.169 -11.980 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -4.931 -1.432 -14.177 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -5.714 -1.995 -14.015 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -5.147 -0.588 -13.725 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 7.096 -4.648 -17.476 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 7.731 -4.039 -17.042 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 7.093 -5.440 -16.898 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -6.867 -3.431 -13.459 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -7.632 -3.698 -14.013 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -7.277 -2.968 -12.690 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -2.228 -1.891 -13.600 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -1.867 -2.460 -14.324 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -3.026 -1.482 -13.991 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -4.795 -3.251 -18.675 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -3.851 -3.467 -18.826 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -5.081 -2.855 -19.503 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -9.492 1.737 -9.990 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.241 1.128 -9.275 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -8.941 2.529 -9.833 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 4.477 -4.195 -16.837 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 4.264 -5.033 -16.377 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 5.419 -4.304 -17.107 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -1.215 -3.467 -15.514 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -1.495 -4.169 -16.132 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -0.279 -3.306 -15.743 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -2.145 1.495 -9.994 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -1.435 0.926 -9.673 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -1.766 2.381 -9.978 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -8.685 -1.688 -15.745 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -8.836 -2.632 -15.563 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -7.806 -1.668 -16.186 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -2.381 -8.014 -14.512 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -2.073 -7.879 -15.421 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -3.196 -8.557 -14.615 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -2.618 -1.595 -21.403 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -2.585 -1.589 -22.367 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -2.784 -0.677 -21.165 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -2.119 -3.508 -19.424 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -2.220 -2.878 -20.171 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -1.158 -3.483 -19.217 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 6.600 -6.621 -15.547 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 6.795 -6.641 -14.582 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 5.627 -6.717 -15.596 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 3.991 -1.698 -20.634 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 4.720 -2.097 -21.156 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.890 -0.815 -21.003 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -7.168 -8.052 -15.414 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.100 -8.247 -15.157 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -7.227 -7.215 -15.921 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.923 -1.245 -10.083 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -11.325 -1.833 -10.758 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.413 -0.402 -10.183 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -2.521 -2.782 -7.147 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -1.544 -2.850 -7.145 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -2.723 -2.251 -6.345 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -9.375 -3.420 -9.135 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -10.064 -4.006 -9.533 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -9.578 -2.536 -9.503 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -2.812 -1.463 -4.756 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -3.018 -1.006 -3.915 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -2.047 -2.034 -4.536 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -4.190 -0.193 -10.742 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -4.620 0.251 -11.506 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -3.486 0.437 -10.463 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -3.082 -2.674 -11.144 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -2.682 -2.485 -12.021 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -3.528 -1.833 -10.902 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -2.881 -6.073 -12.563 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -2.734 -6.756 -13.251 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -3.222 -5.301 -13.065 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 0.376 -10.303 -13.379 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -0.066 -9.632 -12.824 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -0.361 -10.689 -13.922 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 3.131 -3.888 -19.228 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 3.644 -3.801 -18.394 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 3.343 -3.060 -19.727 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 5.917 -3.119 -21.980 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 5.528 -3.995 -21.733 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 6.165 -3.224 -22.906 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 2.020 -5.484 -10.114 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 1.638 -4.580 -10.130 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 2.965 -5.349 -10.376 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 4.332 -2.041 -15.137 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 4.429 -2.766 -15.789 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 4.872 -1.308 -15.513 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 5.535 -7.853 -10.819 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 6.108 -8.268 -10.140 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 4.666 -8.266 -10.674 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 4.777 -5.320 -20.962 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 4.648 -6.273 -20.796 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 4.095 -4.888 -20.414 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -7.033 -5.609 -16.750 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -7.084 -5.134 -17.591 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -6.064 -5.682 -16.578 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 7.168 -6.750 -12.861 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 8.064 -7.035 -12.558 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 6.559 -7.144 -12.202 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -9.523 -9.147 -14.746 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -9.370 -9.576 -13.873 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -10.420 -9.413 -14.982 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 1.858 -8.805 -15.172 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 1.251 -9.173 -14.494 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 1.769 -9.431 -15.930 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 0.435 -3.764 -18.477 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 1.262 -3.829 -18.988 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 0.713 -3.374 -17.627 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 3.569 -9.729 -9.831 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 3.212 -10.623 -9.970 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 2.824 -9.140 -10.054 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -8.774 -1.151 -3.068 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -8.922 -2.108 -2.905 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -8.583 -1.099 -4.033 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -6.448 -6.940 -3.513 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -6.292 -6.578 -2.615 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -6.270 -6.197 -4.103 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -10.153 -2.575 -0.405 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -9.556 -1.826 -0.312 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -9.765 -3.104 -1.131 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -6.100 -3.930 -2.374 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -5.160 -3.644 -2.295 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -6.163 -4.701 -1.766 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -9.632 -5.210 0.900 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -10.229 -5.430 0.152 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -9.700 -4.247 0.977 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -6.660 -6.668 1.644 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -7.540 -6.266 1.753 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -6.692 -7.461 2.202 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -9.225 2.442 -5.620 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -9.312 3.176 -6.261 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -8.281 2.394 -5.442 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 4.588 -9.924 4.074 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 4.717 -9.118 4.608 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 5.408 -10.415 4.186 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -2.349 -8.854 -1.516 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -3.120 -9.139 -2.040 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -1.871 -9.671 -1.335 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -3.526 -0.421 -2.288 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -3.345 0.455 -1.924 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -4.512 -0.503 -2.243 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.871 -4.305 -9.370 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -2.221 -3.867 -8.566 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -2.302 -3.816 -10.112 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -6.448 -3.480 -5.231 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.255 -3.554 -4.282 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -7.086 -2.741 -5.290 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -7.997 -1.214 -5.698 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -8.552 -0.955 -6.470 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.132 -0.784 -5.871 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -0.737 -5.803 8.180 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -1.573 -6.314 8.334 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -0.932 -5.260 7.404 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 0.198 -4.883 10.706 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -0.140 -5.190 9.840 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 0.962 -5.465 10.886 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -8.867 -3.822 -2.563 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -7.897 -3.949 -2.504 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -9.183 -4.617 -3.048 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -0.560 -3.108 -4.444 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 0.225 -3.000 -3.893 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -0.207 -3.128 -5.363 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -5.958 -6.254 -0.951 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -6.243 -6.403 -0.020 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -4.973 -6.325 -0.915 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -6.147 -1.105 -2.139 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -6.256 -2.071 -2.123 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -7.034 -0.771 -2.379 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.919 -5.567 1.693 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -3.595 -5.883 0.827 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -4.839 -5.881 1.735 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -5.234 -2.781 -7.587 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -5.635 -3.235 -6.808 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -4.268 -2.925 -7.477 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 0.141 -5.863 -8.159 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 0.893 -5.825 -8.793 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -0.605 -5.455 -8.651 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 0.199 -3.259 -7.094 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 0.252 -4.228 -7.211 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 0.610 -2.901 -7.906 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -7.888 -9.569 2.975 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -7.947 -10.009 2.105 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -8.477 -8.785 2.887 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -9.737 -0.510 -7.768 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -10.415 -0.010 -7.264 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -10.205 -0.793 -8.585 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 0.582 -8.133 7.564 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 0.113 -7.329 7.877 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -0.045 -8.551 6.962 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -2.313 -5.041 -3.274 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -1.665 -4.533 -3.795 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -2.841 -4.354 -2.820 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -3.578 -3.107 -1.733 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -3.462 -2.144 -1.895 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -3.308 -3.226 -0.811 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -2.489 -7.792 -4.712 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -2.368 -6.937 -4.260 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -1.762 -7.827 -5.360 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 3.020 -6.902 7.232 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 2.862 -6.262 7.932 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 2.190 -7.424 7.194 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -7.557 3.552 -9.124 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -6.785 3.997 -9.493 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -7.183 2.753 -8.673 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -6.737 1.290 -7.919 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -6.165 0.978 -7.190 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -6.832 0.505 -8.494 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -5.371 -0.412 -6.169 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -4.620 -0.510 -5.561 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -5.279 -1.168 -6.782 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -2.318 -5.156 3.935 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.216 -4.209 3.845 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -2.888 -5.407 3.180 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 1.419 -1.092 15.766 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 1.992 -0.429 16.160 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 1.950 -1.467 15.035 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -4.573 -11.033 7.822 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -4.096 -10.683 8.608 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.311 -10.445 7.106 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -5.236 -6.318 14.411 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -6.083 -5.942 14.676 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.723 -6.373 15.248 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -0.112 -3.342 12.893 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -0.665 -2.595 12.626 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 0.030 -3.848 12.052 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -0.642 -10.713 10.324 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -0.807 -11.665 10.464 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -0.278 -10.405 11.177 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 0.231 -7.837 12.208 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 0.593 -8.727 12.472 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 1.028 -7.319 11.977 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -9.547 4.469 -7.496 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.806 4.159 -8.065 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -9.935 5.198 -7.995 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -13.078 0.752 -1.727 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -13.915 0.737 -2.246 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -13.035 1.648 -1.377 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 1.818 -8.017 -11.150 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 0.988 -7.960 -11.679 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 1.961 -7.095 -10.832 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 7.109 -11.698 9.982 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 7.131 -12.201 9.145 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 6.201 -11.330 10.015 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -12.957 -1.770 -0.473 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -12.049 -1.996 -0.184 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -12.897 -0.832 -0.741 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 8.123 -6.834 10.537 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 8.793 -7.396 10.080 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 7.676 -6.375 9.821 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -13.023 -11.578 6.198 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -13.176 -11.557 7.164 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -13.435 -12.416 5.906 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 5.792 -10.494 6.829 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 5.685 -9.554 6.594 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 4.876 -10.813 6.966 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -3.238 -6.352 -0.947 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -2.863 -7.265 -0.955 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -2.810 -5.918 -1.714 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 5.192 -7.868 5.890 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 5.677 -7.057 5.701 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 4.388 -7.561 6.375 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -0.933 -11.507 2.799 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -0.415 -12.100 3.377 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -0.462 -10.667 2.842 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -0.316 -8.136 -6.687 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 0.500 -8.208 -6.182 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -0.219 -7.293 -7.184 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -7.321 -10.996 8.056 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -6.369 -11.236 8.026 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -7.492 -10.604 7.171 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -2.867 -7.403 8.472 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -3.683 -6.932 8.758 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -2.975 -8.301 8.832 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 2.004 -3.118 19.535 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 1.476 -2.288 19.429 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 2.028 -3.502 18.633 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 5.213 -6.866 17.835 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 4.660 -6.602 18.593 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 5.430 -6.020 17.397 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 1.028 -4.217 23.681 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 0.437 -4.822 24.182 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 1.924 -4.568 23.845 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -4.883 -8.688 19.655 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -5.456 -8.597 18.867 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -4.247 -7.971 19.569 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 0.255 -6.196 18.137 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -0.475 -5.969 17.528 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.010 -5.658 17.812 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 3.027 -6.008 25.725 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 3.571 -5.477 25.100 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 3.626 -6.178 26.485 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -5.761 -9.050 22.208 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -5.481 -8.979 21.266 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -6.016 -9.992 22.309 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -6.728 -4.670 21.603 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -6.165 -4.290 20.924 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -6.199 -4.591 22.423 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 1.552 -1.502 23.606 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 1.783 -1.354 24.530 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 1.284 -2.450 23.573 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -6.407 -11.779 22.460 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -5.967 -12.416 23.035 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -7.355 -11.829 22.729 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 3.875 -4.738 23.487 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 4.417 -5.335 22.932 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 3.844 -3.898 22.975 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -2.586 -8.392 12.048 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -2.878 -7.461 11.966 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -1.608 -8.331 12.110 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -7.316 -9.874 14.507 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -6.458 -9.738 14.057 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -7.902 -9.189 14.112 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -1.579 -5.449 16.207 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -1.437 -5.757 15.285 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -1.281 -4.505 16.190 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -1.125 -3.548 27.332 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -0.353 -4.155 27.288 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -1.303 -3.468 28.279 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 1.377 -5.213 21.123 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 1.092 -4.875 21.996 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 1.331 -4.429 20.536 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -5.012 -6.410 9.770 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -4.644 -6.133 10.634 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -5.871 -6.796 9.987 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -11.711 -7.957 17.825 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -11.838 -7.420 18.637 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -12.077 -7.401 17.111 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -9.117 -8.033 13.478 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -8.982 -7.934 12.506 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -9.793 -7.355 13.689 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 0.542 -0.876 19.442 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -0.217 -0.544 18.953 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 0.549 -0.343 20.269 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.878 -6.790 16.728 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -3.565 -7.707 16.690 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -3.051 -6.251 16.674 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -6.311 -8.242 17.351 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -7.295 -8.232 17.471 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -6.073 -7.307 17.257 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -3.678 -5.876 12.214 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -2.815 -5.624 12.601 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -4.285 -5.906 12.986 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 0.632 0.381 21.839 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 0.754 1.210 22.307 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 0.934 -0.302 22.476 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -4.453 -9.732 16.124 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -4.499 -9.582 15.156 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -5.130 -9.124 16.494 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -4.891 -4.394 23.744 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -5.391 -4.128 24.524 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -3.961 -4.164 23.968 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 2.467 -6.199 11.762 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 3.102 -6.678 12.333 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 2.911 -5.339 11.587 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -0.511 -3.024 15.690 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -0.393 -3.078 14.728 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 0.107 -2.311 15.965 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -9.483 -6.928 25.780 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -8.616 -6.701 26.180 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -9.249 -7.286 24.905 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -0.355 -7.847 23.274 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -0.579 -7.182 23.962 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -1.068 -7.770 22.633 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -1.199 -5.889 13.517 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -0.683 -5.081 13.338 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -0.674 -6.608 13.095 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -2.507 -3.633 24.969 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -2.230 -3.571 25.915 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -1.981 -2.958 24.528 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -4.828 -8.956 13.546 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -5.020 -8.003 13.663 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -4.018 -8.970 12.989 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 0.893 -5.409 27.311 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 1.656 -5.618 26.731 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 1.201 -5.653 28.207 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 3.888 -5.392 19.702 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 3.153 -4.830 20.010 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 4.466 -5.478 20.486 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -8.973 -8.404 17.638 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -9.223 -8.867 16.815 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -9.827 -8.168 18.042 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -4.187 -7.184 26.393 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -3.922 -7.158 25.444 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -3.372 -6.902 26.882 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -4.255 -7.169 23.649 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -4.776 -7.778 23.087 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -4.545 -6.281 23.377 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 4.235 -4.040 29.155 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 4.321 -4.933 28.768 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 3.264 -3.868 29.153 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.805 -6.742 26.116 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -6.994 -7.061 25.207 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -5.823 -6.754 26.175 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -2.130 -6.660 27.998 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -2.373 -6.456 28.924 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -1.501 -7.408 28.075 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -0.698 -5.855 25.092 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -0.356 -5.888 26.012 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -1.484 -5.282 25.151 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 1.930 -6.371 29.766 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 1.159 -6.896 30.058 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 2.284 -5.990 30.596 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -7.740 -7.814 23.665 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -6.972 -8.210 23.201 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -8.497 -8.004 23.069 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 3.658 -3.738 11.459 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 3.297 -3.221 12.208 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 4.268 -3.134 11.026 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 2.402 -4.753 17.340 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 2.700 -4.765 16.408 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 3.177 -5.066 17.842 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 4.470 -7.150 13.430 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 4.001 -7.851 13.950 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 5.077 -7.651 12.850 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 2.453 -2.678 13.731 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 2.848 -3.462 14.181 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 1.551 -2.971 13.487 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 5.445 -6.365 21.835 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 5.745 -6.984 21.158 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 6.181 -6.361 22.497 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 3.464 -2.592 21.846 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 2.910 -1.958 22.332 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 3.046 -2.645 20.962 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 4.110 -9.471 28.388 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 4.483 -10.293 28.003 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 3.153 -9.640 28.418 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 3.621 -4.863 14.832 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 3.858 -5.664 14.318 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 4.402 -4.703 15.404 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -9.411 -5.510 21.185 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -8.454 -5.323 21.069 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -9.587 -5.258 22.099 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 6.858 -8.394 12.404 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 7.273 -7.891 11.668 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 7.119 -7.899 13.205 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -14.866 -8.192 13.375 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -14.941 -7.749 14.245 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -14.051 -7.813 12.978 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -12.532 -8.513 22.103 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -13.238 -7.874 21.885 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -12.910 -9.051 22.814 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 2.330 -7.852 23.824 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 2.406 -7.134 24.488 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 1.370 -7.865 23.589 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -9.905 -9.806 15.491 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -9.043 -10.208 15.261 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -10.079 -9.192 14.753 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -10.797 -11.379 9.532 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -10.485 -10.522 9.228 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -11.758 -11.372 9.326 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -9.125 -7.528 10.821 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -8.376 -7.994 10.385 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -9.866 -7.623 10.194 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -3.157 -9.821 9.804 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -2.244 -10.184 9.809 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -3.220 -9.337 10.655 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 -7.537 -13.135 26.101 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 -8.357 -13.028 26.625 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 -7.824 -12.979 25.180 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 -0.596 -8.860 28.429 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 -0.929 -9.706 28.793 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 0.209 -9.118 27.926 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 5.388 -1.623 29.841 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 5.833 -1.204 29.105 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 5.037 -2.457 29.468 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -0.186 -7.748 30.881 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -0.405 -8.082 29.982 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -0.091 -8.569 31.423 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 -2.736 -6.395 30.668 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 -2.070 -6.955 31.103 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 -3.590 -6.827 30.886 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 -9.390 -7.608 29.034 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 -9.876 -8.324 29.464 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 -10.087 -6.988 28.736 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -11.190 -5.979 27.682 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -10.721 -6.314 26.886 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -11.178 -5.025 27.580 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 4.318 -3.352 31.855 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 4.335 -3.639 30.922 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 4.770 -2.494 31.842 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 2.903 -5.618 32.294 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 3.298 -4.714 32.246 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 3.614 -6.164 32.649 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -0.772 -4.387 30.457 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -1.580 -4.917 30.317 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -0.497 -4.615 31.365 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 0.215 -5.761 32.715 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 1.187 -5.619 32.715 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 0.079 -6.480 32.061 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -4.968 -8.030 31.130 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -5.563 -8.373 31.837 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -5.569 -7.858 30.375 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 1.645 -3.301 29.645 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 0.785 -3.730 29.844 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 1.628 -2.490 30.162 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 4.077 -6.729 28.174 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 3.282 -6.643 28.747 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 4.340 -7.672 28.275 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 -9.955 -9.605 26.704 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -9.812 -8.646 26.618 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 -9.742 -9.797 27.639 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 -1.501 -7.234 34.278 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 -0.941 -6.608 33.769 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 -1.289 -7.046 35.196 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 -6.665 -7.627 28.843 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 -6.652 -7.004 28.094 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 -7.619 -7.690 29.082 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 -6.350 -9.145 33.252 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 -6.258 -10.061 33.589 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 -6.985 -8.738 33.849 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 12.929 -25.566 7.651 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 13.207 -25.253 8.529 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 13.426 -25.002 7.026 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 1.727 -25.025 3.371 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 2.506 -24.499 3.083 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 2.033 -25.456 4.209 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.530 -23.925 0.723 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 9.812 -23.988 1.659 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.658 -24.382 0.704 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.064 -34.346 23.439 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.008 -34.119 23.286 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.923 -35.138 22.911 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.727 -33.643 23.422 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 12.577 -33.596 22.970 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 11.753 -32.903 24.056 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 11.398 -31.786 25.563 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 11.473 -30.960 25.032 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 10.424 -31.929 25.641 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 11.704 -34.288 26.704 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 11.466 -34.802 25.922 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 11.571 -33.357 26.428 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.789 -32.310 25.296 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 8.771 -33.145 24.779 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 7.971 -31.847 25.025 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 6.725 -31.299 23.864 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.689 -31.972 23.173 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 5.821 -30.908 23.864 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 4.879 -29.654 20.837 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 5.047 -30.484 20.354 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 5.459 -28.998 20.401 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 14.130 -31.546 25.109 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 14.781 -31.924 25.734 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 13.269 -31.705 25.536 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.870 -30.224 19.818 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 8.899 -30.187 20.802 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.197 -31.101 19.608 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 6.640 -28.371 24.811 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 5.732 -28.051 25.009 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 6.500 -29.210 24.351 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 8.434 -34.288 29.440 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 9.236 -34.814 29.228 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.914 -34.873 30.026 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 6.765 -35.933 30.955 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 6.530 -36.435 31.742 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.338 -36.553 30.438 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 14.355 -29.071 23.978 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 14.390 -29.991 24.319 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 15.134 -28.636 24.395 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.761 -25.438 18.756 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.466 -26.374 18.839 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 10.700 -25.450 19.069 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 6.355 -33.108 28.006 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 5.978 -33.155 28.906 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.201 -33.587 28.082 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 10.715 -35.699 28.901 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.052 -35.270 28.089 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 11.422 -35.546 29.562 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 8.639 -37.404 29.614 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 9.438 -36.904 29.346 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.758 -38.283 29.198 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 12.355 -27.174 23.715 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 13.150 -27.753 23.644 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 12.473 -26.711 24.565 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 16.130 -28.119 25.765 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 15.753 -27.319 26.181 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 16.211 -28.755 26.500 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 9.152 -30.345 22.511 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 8.530 -30.629 23.200 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 9.997 -30.220 22.985 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 11.584 -29.779 23.741 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.466 -28.810 23.671 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 12.532 -29.910 23.553 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 10.757 -24.575 10.148 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.732 -24.579 10.163 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.536 -24.284 9.242 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.847 -24.537 12.035 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.081 -24.943 11.624 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.540 -24.558 11.330 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.718 -33.505 34.112 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.159 -32.871 33.614 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 8.202 -33.712 34.895 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 9.010 -39.866 28.362 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 9.685 -40.551 28.335 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 8.235 -40.279 27.967 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 13.786 -33.781 28.434 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 13.475 -34.092 29.311 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 13.070 -34.047 27.822 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.233 -30.915 31.998 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 10.620 -30.749 32.867 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.757 -30.339 31.387 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 10.761 -33.654 32.268 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 10.107 -33.880 32.964 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 10.607 -32.710 32.099 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 11.714 -29.359 30.321 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.604 -29.301 29.921 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 11.435 -28.420 30.414 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.895 -31.643 29.645 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.363 -31.501 30.488 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 8.760 -32.621 29.606 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 7.423 -31.649 32.527 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.271 -31.227 32.305 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 6.746 -31.018 32.197 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 15.788 -32.543 27.128 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 15.086 -32.975 27.679 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 16.451 -33.233 27.009 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 12.635 -34.850 30.729 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 13.145 -35.353 31.373 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 11.939 -34.401 31.271 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.826 -28.561 28.767 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 14.621 -29.036 28.433 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.178 -27.709 29.099 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 7.386 -30.435 27.761 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.751 -30.795 28.603 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.065 -31.224 27.291 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 6.368 -23.665 33.099 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 6.827 -22.809 33.231 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 6.010 -23.875 33.966 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 6.167 -27.438 30.479 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 6.137 -28.309 30.918 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.109 -27.155 30.565 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 16.078 -29.911 27.903 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 16.910 -29.974 28.384 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 15.930 -30.821 27.560 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 11.630 -10.451 -18.738 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 12.218 -9.690 -18.724 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.151 -11.148 -19.151 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 5.160 -15.631 -13.235 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 5.730 -15.672 -14.032 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 5.418 -16.409 -12.713 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.542 -12.513 -12.468 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.064 -12.070 -13.159 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 6.894 -11.832 -12.188 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 4.444 -13.406 -11.885 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 5.137 -12.737 -11.726 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 4.909 -14.127 -12.380 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 5.991 -17.314 -11.152 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 6.435 -16.428 -11.135 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 6.718 -17.940 -11.244 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 8.616 -10.684 -14.383 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.248 -10.307 -13.757 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 8.487 -9.975 -15.047 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 6.730 -11.007 -19.327 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 7.607 -11.112 -18.901 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 6.712 -10.073 -19.599 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 6.312 -9.500 -8.722 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 6.742 -9.313 -7.860 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 5.390 -9.691 -8.493 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 7.245 -14.922 -11.043 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 7.448 -14.115 -11.567 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 7.524 -14.696 -10.138 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 4.367 -7.906 -19.949 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 5.340 -7.994 -19.823 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 4.084 -8.790 -20.218 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 6.009 -13.344 -18.094 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 6.113 -12.582 -18.704 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 6.671 -13.175 -17.391 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 6.524 -15.566 -15.643 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 6.035 -15.498 -16.483 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 7.284 -14.972 -15.762 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 7.583 -14.929 -8.228 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.325 -15.399 -7.829 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 7.502 -14.122 -7.703 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.483 -8.565 -16.265 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.804 -7.953 -15.914 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.966 -8.023 -16.928 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 10.500 -5.108 -13.398 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.658 -4.609 -13.445 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 11.055 -4.697 -14.066 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.927 -12.706 -16.257 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 8.129 -12.251 -15.421 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 8.422 -12.191 -16.932 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.056 -10.820 -17.872 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 9.985 -10.756 -18.191 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 8.936 -10.021 -17.321 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.339 -22.973 2.852 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 7.134 -22.124 2.403 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 8.316 -22.993 2.897 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 7.148 -18.000 1.308 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.372 -17.086 1.601 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 6.688 -17.867 0.453 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 3.766 -21.165 -1.262 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 4.660 -21.572 -1.271 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 3.437 -21.339 -0.356 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 6.207 -22.265 -0.674 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 6.346 -21.681 0.104 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 7.077 -22.266 -1.128 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 9.990 -23.396 3.463 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 9.981 -22.601 4.037 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 10.444 -24.075 4.009 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 11.078 -19.201 4.100 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 10.292 -18.618 4.013 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 11.428 -19.273 3.188 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 10.539 -21.302 0.513 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 10.377 -22.233 0.754 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 9.978 -21.160 -0.263 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 7.722 -15.518 2.275 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 6.897 -15.321 2.786 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 8.409 -15.045 2.753 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.590 -18.038 3.927 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.310 -17.914 3.003 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 7.833 -18.505 4.342 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 13.007 -16.877 10.425 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.438 -17.001 9.549 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.131 -16.482 10.205 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 11.636 -15.772 7.104 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.819 -15.875 6.574 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 11.315 -15.700 8.024 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 6.207 -18.980 5.018 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 5.749 -19.759 5.429 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 6.178 -18.303 5.713 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 8.812 -22.531 -1.530 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.056 -23.024 -2.319 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 9.144 -23.084 -0.789 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 13.758 -19.805 4.396 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.709 -19.990 3.442 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.857 -19.489 4.619 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 6.953 -30.457 -1.823 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.367 -29.593 -1.913 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 7.647 -31.081 -2.060 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 8.520 -17.092 8.470 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 8.666 -16.761 7.554 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.724 -16.605 8.775 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 14.545 -21.490 6.456 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 14.128 -21.046 7.224 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 14.289 -20.933 5.693 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 6.586 -20.685 1.529 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 6.966 -19.783 1.427 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 5.759 -20.536 2.033 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 13.760 -17.434 7.822 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 13.173 -16.799 7.358 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 14.507 -17.576 7.193 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 5.677 -17.013 -0.824 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 5.405 -16.350 -0.152 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 5.767 -16.497 -1.640 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 4.432 -11.124 10.430 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 3.760 -10.648 9.910 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 4.124 -11.024 11.361 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 5.582 -18.748 7.819 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 5.060 -19.457 7.376 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 6.391 -19.202 8.119 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.589 -15.845 9.703 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 9.862 -16.402 9.339 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 10.133 -15.185 10.241 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 12.471 -19.842 1.767 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.914 -19.440 1.015 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 11.795 -20.437 1.359 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.161 -23.696 7.608 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.420 -24.346 7.701 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 10.623 -23.979 6.796 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 14.154 -24.057 5.743 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 14.341 -23.130 6.030 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 14.966 -24.336 5.306 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 15.588 -18.426 6.001 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 14.991 -18.826 5.340 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 16.347 -19.015 6.022 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 11.466 -24.777 5.389 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 11.608 -25.502 6.027 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 12.356 -24.388 5.274 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 9.729 -21.278 5.251 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 10.192 -20.549 4.782 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 10.015 -21.177 6.185 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.835 -23.837 12.873 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.378 -24.297 13.524 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 11.917 -23.942 13.213 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 13.505 -24.239 10.170 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 13.333 -24.139 11.131 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 14.288 -23.701 10.013 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 5.264 -14.369 -1.918 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 5.922 -13.676 -1.797 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 4.890 -14.501 -1.022 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 6.894 -24.644 0.680 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 6.768 -24.275 1.575 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 6.456 -24.001 0.094 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 4.439 -20.094 3.199 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 5.063 -19.549 3.725 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 4.120 -20.768 3.838 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 5.070 -25.813 4.282 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 5.386 -26.731 4.170 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 4.238 -25.912 4.813 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 6.672 -13.031 7.501 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 6.444 -12.124 7.195 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 6.771 -13.547 6.662 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.006 -16.098 5.954 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.987 -16.763 5.235 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 8.297 -15.453 5.702 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 12.203 -11.855 8.095 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 11.849 -11.900 8.986 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 12.132 -10.910 7.857 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 13.112 -13.607 6.183 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 12.841 -12.982 6.890 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 12.658 -14.439 6.415 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 11.834 -9.724 4.860 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 12.544 -10.389 4.694 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 11.256 -9.804 4.098 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 13.667 -11.672 4.375 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 13.417 -12.415 4.976 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 14.547 -11.905 4.070 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 10.424 -24.342 14.241 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.068 -25.011 14.858 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.820 -24.392 13.462 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.136 -20.102 20.394 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.007 -20.490 19.520 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 8.482 -20.839 20.932 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 8.658 -17.502 20.927 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.278 -18.394 20.752 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 9.549 -17.543 20.519 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 10.597 -16.283 17.896 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 10.822 -17.005 18.517 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 11.152 -16.455 17.118 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.987 -22.845 18.952 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.574 -22.724 18.068 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 9.189 -23.810 18.987 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 12.800 -19.632 18.494 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.247 -20.398 18.231 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 13.683 -20.003 18.600 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.298 -22.258 21.614 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 9.301 -23.105 22.102 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 9.250 -22.530 20.667 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 10.228 -13.917 15.110 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 10.984 -14.538 15.202 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.582 -13.056 15.433 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 13.257 -21.852 22.136 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 13.466 -22.257 21.266 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 13.963 -22.177 22.727 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 12.125 -19.999 24.950 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.747 -19.992 24.050 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 11.353 -19.855 25.536 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 10.794 -11.704 18.771 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 9.859 -11.851 18.542 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 11.085 -12.569 19.148 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 8.447 -19.896 23.725 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 8.247 -20.790 23.421 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.298 -19.684 23.299 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 8.353 -12.335 20.756 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.015 -12.446 19.854 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 8.567 -13.247 21.045 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 8.248 -9.569 18.824 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 8.161 -10.524 18.653 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 8.809 -9.520 19.621 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 11.522 -24.918 22.467 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.550 -24.970 22.551 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 11.839 -25.794 22.785 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 14.876 -26.010 27.015 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 15.404 -25.196 26.844 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 14.801 -26.044 27.994 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 11.079 -20.241 22.326 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 10.454 -20.917 21.995 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 11.963 -20.679 22.248 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 13.616 -22.755 19.559 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 14.277 -22.820 18.830 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 12.803 -22.443 19.112 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.095 -20.052 8.315 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 13.305 -19.125 8.058 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.138 -20.041 9.291 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 15.002 -22.743 17.245 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 15.102 -22.162 16.473 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 15.614 -23.482 17.062 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 11.468 -21.999 18.016 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 10.582 -22.191 18.390 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 11.545 -22.609 17.270 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 16.907 -24.057 15.718 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 17.739 -24.277 15.294 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 16.630 -23.222 15.290 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 15.898 -21.665 14.765 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 16.382 -20.835 14.737 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 15.269 -21.603 14.005 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 8.942 -25.862 16.177 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 8.493 -26.713 16.273 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 9.317 -25.690 17.069 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 15.985 -23.553 26.793 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 16.838 -23.252 27.123 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 15.336 -22.936 27.204 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.157 -18.132 20.021 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 11.188 -18.639 20.851 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 11.802 -18.594 19.436 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 7.092 -17.500 23.272 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 7.416 -18.410 23.416 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 7.389 -17.286 22.368 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 10.983 -11.454 16.064 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 11.125 -11.532 17.033 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 10.742 -10.533 15.935 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 8.110 -19.839 8.290 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 8.276 -18.880 8.419 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 9.009 -20.222 8.175 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.045 -14.885 21.558 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 9.023 -14.945 22.521 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 8.784 -15.783 21.256 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 12.357 -15.639 15.364 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 13.144 -15.459 15.887 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 12.697 -15.746 14.446 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.589 -23.112 16.208 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 9.226 -22.977 15.492 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 8.409 -24.072 16.186 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 13.563 -15.676 12.873 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 14.257 -15.064 12.612 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 13.349 -16.161 12.047 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 4.542 -11.705 26.860 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 4.324 -12.646 26.673 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 4.140 -11.214 26.118 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.049 -16.547 25.664 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 7.695 -16.727 24.768 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.570 -15.732 25.950 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 12.931 -19.539 11.041 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 12.045 -19.545 11.423 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 13.122 -18.586 10.894 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 4.898 -19.330 27.578 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 5.752 -19.299 27.093 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 4.845 -18.466 28.026 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 14.711 -20.180 25.673 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 15.053 -19.278 25.696 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 13.776 -20.075 25.357 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 14.218 -21.415 12.660 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.578 -22.154 12.656 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 13.849 -20.772 12.020 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 14.073 -21.866 27.782 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 13.096 -21.931 27.688 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 14.328 -21.170 27.137 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 14.789 -22.627 24.387 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 14.930 -21.728 24.751 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 15.334 -23.201 24.957 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 12.147 -23.375 24.696 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 11.886 -23.688 23.803 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 13.010 -22.929 24.547 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 12.194 -25.048 19.817 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 12.039 -25.004 20.782 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 12.857 -24.350 19.653 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 14.533 -25.985 29.729 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 14.613 -25.007 29.754 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 14.109 -26.203 30.574 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 12.383 -25.704 26.057 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 13.328 -25.796 26.335 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 12.349 -24.826 25.603 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 11.323 -24.698 28.435 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 11.213 -23.736 28.289 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 11.702 -25.020 27.600 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 6.345 -15.396 8.930 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 5.794 -15.960 8.367 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 6.501 -14.589 8.388 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 9.188 -5.368 13.877 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 9.138 -5.459 12.918 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 8.515 -6.001 14.214 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 6.899 -8.656 16.713 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.476 -8.897 17.478 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 6.168 -8.134 17.123 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 8.453 -14.718 17.067 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 8.943 -14.472 16.256 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 9.027 -15.385 17.495 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.924 -10.126 20.959 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.340 -10.900 21.143 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 10.583 -10.474 20.328 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 11.003 -14.220 19.686 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 10.879 -14.938 19.034 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 10.411 -14.462 20.424 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 8.533 -27.852 18.541 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 8.787 -28.729 18.911 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 7.604 -27.743 18.814 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 7.184 -11.118 15.463 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 7.560 -10.928 14.586 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 6.989 -10.229 15.839 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 10.522 -21.016 7.853 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 11.456 -20.761 8.012 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 10.523 -22.001 7.924 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 8.172 -13.714 13.371 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 8.312 -12.801 13.069 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 8.941 -13.895 13.958 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 11.383 -26.615 30.372 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 11.875 -26.123 31.067 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 11.353 -25.986 29.614 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 11.425 -22.192 27.151 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 11.547 -22.435 26.209 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 10.906 -21.356 27.119 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 7.170 -21.167 34.006 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 7.485 -20.570 34.696 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 7.320 -20.664 33.164 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 14.850 -21.311 32.055 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 14.504 -20.412 32.022 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 15.508 -21.288 32.759 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 7.364 -19.187 26.208 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 7.686 -19.524 25.348 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 7.520 -18.221 26.159 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 14.292 -23.232 30.175 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 14.548 -22.554 30.841 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 14.187 -22.722 29.343 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 10.050 -19.788 26.783 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 10.260 -18.874 27.087 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 9.073 -19.817 26.788 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 10.077 -17.104 27.409 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 9.911 -16.496 28.135 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 9.418 -16.849 26.725 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 1.991 -23.387 32.634 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 2.008 -23.114 33.570 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 2.792 -22.968 32.245 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 4.902 -25.110 31.300 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 5.571 -24.714 31.893 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 5.315 -25.941 30.996 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 8.640 -26.316 30.555 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 8.622 -25.355 30.468 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 9.593 -26.540 30.547 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 12.904 -24.933 31.864 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 12.750 -24.456 32.685 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 13.288 -24.257 31.262 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 8.740 -0.197 -15.930 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 9.280 0.033 -16.726 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 9.060 0.404 -15.248 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 9.971 -2.375 -18.609 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 9.188 -2.609 -19.149 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 9.733 -2.664 -17.707 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 10.311 0.302 -18.087 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 10.972 0.735 -18.635 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 10.303 -0.627 -18.408 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 7.820 -3.435 -19.951 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 7.157 -3.189 -20.630 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 7.297 -3.886 -19.257 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 7.926 -4.122 -13.671 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 7.177 -3.587 -13.329 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 7.692 -5.038 -13.422 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 7.096 -8.263 -19.673 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 7.770 -8.112 -20.368 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 7.486 -7.857 -18.880 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 4.535 -5.264 -11.083 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 5.021 -6.108 -10.989 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 5.044 -4.767 -11.744 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 9.284 -6.985 -18.306 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 9.527 -7.284 -19.206 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 9.428 -6.028 -18.329 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 8.820 -2.984 -16.094 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 8.554 -3.364 -15.230 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 8.760 -2.013 -15.957 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 10.055 -4.885 -20.437 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 9.217 -4.371 -20.406 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 10.736 -4.234 -20.219 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 9.454 -7.462 -21.044 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 9.704 -6.508 -21.001 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 9.875 -7.780 -21.851 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 9.724 -7.354 -12.082 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 10.365 -7.579 -11.402 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 10.122 -6.580 -12.542 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 9.631 -8.547 9.046 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 10.429 -8.665 8.489 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 9.177 -9.396 8.989 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 11.862 -9.143 7.495 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 12.571 -8.492 7.538 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 11.767 -9.330 6.527 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 5.421 -4.288 16.866 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 5.334 -3.725 17.646 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 6.314 -4.055 16.499 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 9.824 -7.858 22.499 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 10.751 -7.618 22.419 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 9.748 -8.691 21.980 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1048 7.589 -6.578 23.490 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1048 7.901 -6.310 24.358 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1048 8.366 -7.033 23.085 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1049 10.539 -4.021 15.901 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1049 10.258 -4.578 15.146 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1049 11.431 -3.751 15.678 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1050 7.044 -6.885 14.660 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1050 6.084 -6.759 14.539 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1050 7.111 -7.491 15.436 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1051 3.556 -9.703 25.282 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1051 3.101 -9.079 24.669 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1051 4.283 -9.183 25.651 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1052 7.824 -3.779 15.838 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1052 8.035 -4.199 14.988 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1052 8.699 -3.626 16.246 1.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1053 7.446 -11.090 12.645 1.00 0.00 WAT1 ATOM 4531 H1 TIP3 1053 7.473 -11.409 11.712 1.00 0.00 WAT1 ATOM 4532 H2 TIP3 1053 7.188 -10.144 12.563 1.00 0.00 WAT1 END