REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -909.879, 81.153, 114.95, 50.7118, 564.586, -619.207, -1105.9, 3.47054, 0.360235 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.371561E-03,0.456602,1.17261,42.4112,4.388908E-03,0.198543 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 44, 5 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:05 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.128 -14.529 13.834 1.00 42.10 ATOM 2 CB MET 1 1.893 -14.814 15.025 1.00 41.34 ATOM 3 HB1 MET 1 2.624 -15.593 15.186 1.00 38.33 ATOM 4 HB2 MET 1 1.400 -14.599 15.962 1.00 3.23 ATOM 5 CG MET 1 2.628 -13.555 14.569 1.00 55.41 ATOM 6 HG1 MET 1 1.975 -12.704 14.701 1.00 38.33 ATOM 7 HG2 MET 1 2.873 -13.656 13.522 1.00 1.40 ATOM 8 SD MET 1 4.156 -13.254 15.484 1.00 62.44 ATOM 9 CE MET 1 3.553 -13.114 17.166 1.00 2.13 ATOM 10 HE1 MET 1 2.849 -12.297 17.231 1.00 70.54 ATOM 11 HE2 MET 1 4.384 -12.925 17.830 1.00 52.03 ATOM 12 HE3 MET 1 3.066 -14.034 17.453 1.00 13.42 ATOM 13 C MET 1 1.547 -15.666 12.698 1.00 30.40 ATOM 14 O MET 1 2.150 -16.735 12.572 1.00 33.13 ATOM 15 N MET 1 0.118 -16.485 14.569 1.00 61.00 ATOM 16 HT1 MET 1 -0.613 -16.806 13.899 1.00 38.33 ATOM 17 HT2 MET 1 -0.340 -16.231 15.468 1.00 38.33 ATOM 18 HT3 MET 1 0.776 -17.270 14.747 1.00 38.33 ATOM 19 CA MET 1 0.847 -15.314 14.018 1.00 51.50 ATOM 20 N GLY 2 1.460 -14.768 11.721 1.00 73.03 ATOM 21 HN GLY 2 0.876 -13.986 11.835 1.00 38.33 ATOM 22 CA GLY 2 2.209 -14.931 10.480 1.00 2.33 ATOM 23 HA1 GLY 2 3.134 -15.446 10.699 1.00 38.33 ATOM 24 HA2 GLY 2 2.448 -13.951 10.095 1.00 73.11 ATOM 25 C GLY 2 1.465 -15.705 9.397 1.00 54.13 ATOM 26 O GLY 2 0.291 -16.048 9.547 1.00 11.10 ATOM 27 N HIS 3 2.162 -15.978 8.298 1.00 0.31 ATOM 28 HN HIS 3 3.103 -15.696 8.252 1.00 38.33 ATOM 29 CA HIS 3 1.583 -16.700 7.162 1.00 20.33 ATOM 30 HA HIS 3 0.972 -17.501 7.556 1.00 1.42 ATOM 31 CB HIS 3 0.698 -15.759 6.327 1.00 31.43 ATOM 32 HB1 HIS 3 -0.121 -15.410 6.941 1.00 38.33 ATOM 33 HB2 HIS 3 0.297 -16.303 5.485 1.00 41.53 ATOM 34 CG HIS 3 1.421 -14.555 5.797 1.00 11.11 ATOM 35 ND1 HIS 3 1.590 -13.397 6.524 1.00 24.24 ATOM 36 HD1 HIS 3 1.263 -13.239 7.436 1.00 10.52 ATOM 37 CD2 HIS 3 2.017 -14.327 4.600 1.00 12.43 ATOM 38 HD2 HIS 3 2.086 -15.023 3.776 1.00 14.12 ATOM 39 CE1 HIS 3 2.252 -12.516 5.805 1.00 0.41 ATOM 40 HE1 HIS 3 2.528 -11.521 6.123 1.00 53.04 ATOM 41 NE2 HIS 3 2.524 -13.051 4.633 1.00 65.41 ATOM 42 HE2 HIS 3 2.794 -12.536 3.841 1.00 38.33 ATOM 43 C HIS 3 2.690 -17.308 6.291 1.00 40.51 ATOM 44 O HIS 3 3.717 -16.669 6.054 1.00 72.15 ATOM 45 N HIS 4 2.478 -18.543 5.826 1.00 73.12 ATOM 46 HN HIS 4 1.634 -18.993 6.045 1.00 38.33 ATOM 47 CA HIS 4 3.466 -19.255 5.000 1.00 43.44 ATOM 48 HA HIS 4 3.018 -20.189 4.690 1.00 5.21 ATOM 49 CB HIS 4 3.798 -18.418 3.748 1.00 44.23 ATOM 50 HB1 HIS 4 4.414 -17.578 4.040 1.00 38.33 ATOM 51 HB2 HIS 4 2.878 -18.044 3.323 1.00 43.23 ATOM 52 CG HIS 4 4.522 -19.167 2.670 1.00 35.14 ATOM 53 ND1 HIS 4 3.943 -20.190 1.955 1.00 42.12 ATOM 54 HD1 HIS 4 3.032 -20.539 2.085 1.00 41.23 ATOM 55 CD2 HIS 4 5.773 -19.027 2.171 1.00 63.04 ATOM 56 HD2 HIS 4 6.520 -18.320 2.501 1.00 11.25 ATOM 57 CE1 HIS 4 4.798 -20.644 1.067 1.00 50.21 ATOM 58 HE1 HIS 4 4.614 -21.449 0.370 1.00 21.52 ATOM 59 NE2 HIS 4 5.918 -19.958 1.169 1.00 32.00 ATOM 60 HE2 HIS 4 6.603 -19.919 0.467 1.00 38.33 ATOM 61 C HIS 4 4.739 -19.568 5.819 1.00 13.10 ATOM 62 O HIS 4 5.800 -19.867 5.265 1.00 50.44 ATOM 63 N HIS 5 4.599 -19.520 7.147 1.00 32.23 ATOM 64 HN HIS 5 3.709 -19.338 7.516 1.00 38.33 ATOM 65 CA HIS 5 5.711 -19.743 8.081 1.00 2.15 ATOM 66 HA HIS 5 6.527 -19.097 7.787 1.00 3.23 ATOM 67 CB HIS 5 5.259 -19.362 9.502 1.00 13.31 ATOM 68 HB1 HIS 5 4.435 -20.000 9.790 1.00 38.33 ATOM 69 HB2 HIS 5 4.922 -18.336 9.499 1.00 73.30 ATOM 70 CG HIS 5 6.323 -19.484 10.554 1.00 55.22 ATOM 71 ND1 HIS 5 7.186 -18.459 10.872 1.00 55.51 ATOM 72 HD1 HIS 5 7.202 -17.568 10.455 1.00 60.53 ATOM 73 CD2 HIS 5 6.646 -20.508 11.382 1.00 51.34 ATOM 74 HD2 HIS 5 6.178 -21.483 11.407 1.00 71.22 ATOM 75 CE1 HIS 5 7.988 -18.841 11.843 1.00 45.04 ATOM 76 HE1 HIS 5 8.767 -18.240 12.291 1.00 10.34 ATOM 77 NE2 HIS 5 7.683 -20.080 12.177 1.00 4.42 ATOM 78 HE2 HIS 5 7.957 -20.506 13.014 1.00 38.33 ATOM 79 C HIS 5 6.189 -21.206 8.034 1.00 54.32 ATOM 80 O HIS 5 5.531 -22.103 8.562 1.00 72.14 ATOM 81 N HIS 6 7.341 -21.432 7.411 1.00 64.42 ATOM 82 HN HIS 6 7.871 -20.664 7.107 1.00 38.33 ATOM 83 CA HIS 6 7.839 -22.788 7.158 1.00 3.14 ATOM 84 HA HIS 6 7.010 -23.365 6.770 1.00 74.52 ATOM 85 CB HIS 6 8.940 -22.755 6.091 1.00 33.14 ATOM 86 HB1 HIS 6 9.404 -23.730 6.028 1.00 38.33 ATOM 87 HB2 HIS 6 9.686 -22.026 6.376 1.00 54.13 ATOM 88 CG HIS 6 8.449 -22.394 4.724 1.00 31.10 ATOM 89 ND1 HIS 6 9.152 -21.585 3.861 1.00 73.20 ATOM 90 HD1 HIS 6 10.018 -21.159 4.049 1.00 71.34 ATOM 91 CD2 HIS 6 7.334 -22.769 4.056 1.00 71.43 ATOM 92 HD2 HIS 6 6.549 -23.411 4.431 1.00 2.13 ATOM 93 CE1 HIS 6 8.495 -21.479 2.726 1.00 61.21 ATOM 94 HE1 HIS 6 8.813 -20.910 1.866 1.00 44.11 ATOM 95 NE2 HIS 6 7.387 -22.189 2.813 1.00 32.32 ATOM 96 HE2 HIS 6 6.859 -22.486 2.041 1.00 38.33 ATOM 97 C HIS 6 8.367 -23.495 8.419 1.00 10.11 ATOM 98 O HIS 6 9.110 -22.921 9.217 1.00 1.23 ATOM 99 N HIS 7 7.961 -24.753 8.574 1.00 14.43 ATOM 100 HN HIS 7 7.253 -25.089 7.982 1.00 38.33 ATOM 101 CA HIS 7 8.518 -25.661 9.584 1.00 24.51 ATOM 102 HA HIS 7 8.689 -25.099 10.491 1.00 50.12 ATOM 103 CB HIS 7 7.500 -26.788 9.860 1.00 51.53 ATOM 104 HB1 HIS 7 7.131 -27.163 8.914 1.00 38.33 ATOM 105 HB2 HIS 7 6.671 -26.377 10.413 1.00 50.32 ATOM 106 CG HIS 7 8.023 -27.965 10.643 1.00 43.53 ATOM 107 ND1 HIS 7 7.675 -28.213 11.953 1.00 41.04 ATOM 108 HD1 HIS 7 7.092 -27.658 12.507 1.00 45.03 ATOM 109 CD2 HIS 7 8.821 -29.000 10.274 1.00 11.10 ATOM 110 HD2 HIS 7 9.284 -29.138 9.307 1.00 42.35 ATOM 111 CE1 HIS 7 8.232 -29.339 12.350 1.00 64.24 ATOM 112 HE1 HIS 7 8.127 -29.780 13.328 1.00 50.12 ATOM 113 NE2 HIS 7 8.930 -29.840 11.354 1.00 54.44 ATOM 114 HE2 HIS 7 9.226 -30.776 11.306 1.00 38.33 ATOM 115 C HIS 7 9.850 -26.244 9.087 1.00 11.14 ATOM 116 O HIS 7 10.852 -26.254 9.802 1.00 4.21 ATOM 117 N HIS 8 9.836 -26.727 7.847 1.00 34.03 ATOM 118 HN HIS 8 9.003 -26.670 7.332 1.00 38.33 ATOM 119 CA HIS 8 11.009 -27.336 7.214 1.00 41.44 ATOM 120 HA HIS 8 11.679 -27.673 7.995 1.00 22.05 ATOM 121 CB HIS 8 10.558 -28.546 6.385 1.00 11.52 ATOM 122 HB1 HIS 8 9.836 -28.219 5.650 1.00 38.33 ATOM 123 HB2 HIS 8 10.089 -29.266 7.040 1.00 24.25 ATOM 124 CG HIS 8 11.668 -29.244 5.662 1.00 31.13 ATOM 125 ND1 HIS 8 12.001 -28.975 4.351 1.00 1.55 ATOM 126 HD1 HIS 8 11.553 -28.323 3.764 1.00 35.32 ATOM 127 CD2 HIS 8 12.522 -30.212 6.071 1.00 53.34 ATOM 128 HD2 HIS 8 12.548 -30.675 7.046 1.00 20.21 ATOM 129 CE1 HIS 8 13.006 -29.742 3.987 1.00 73.40 ATOM 130 HE1 HIS 8 13.475 -29.749 3.015 1.00 22.12 ATOM 131 NE2 HIS 8 13.342 -30.500 5.009 1.00 53.44 ATOM 132 HE2 HIS 8 13.966 -31.255 4.964 1.00 38.33 ATOM 133 C HIS 8 11.747 -26.326 6.319 1.00 74.44 ATOM 134 O HIS 8 11.138 -25.701 5.451 1.00 2.52 ATOM 135 N SER 9 13.058 -26.186 6.534 1.00 34.32 ATOM 136 HN SER 9 13.478 -26.723 7.240 1.00 38.33 ATOM 137 CA SER 9 13.909 -25.268 5.747 1.00 15.41 ATOM 138 HA SER 9 14.917 -25.370 6.127 1.00 44.34 ATOM 139 CB SER 9 13.914 -25.657 4.258 1.00 61.22 ATOM 140 HB1 SER 9 12.900 -25.652 3.884 1.00 38.33 ATOM 141 HB2 SER 9 14.331 -26.648 4.148 1.00 31.25 ATOM 142 OG SER 9 14.690 -24.750 3.489 1.00 31.13 ATOM 143 HG SER 9 15.499 -24.530 3.967 1.00 63.25 ATOM 144 C SER 9 13.485 -23.797 5.900 1.00 22.55 ATOM 145 O SER 9 12.553 -23.332 5.239 1.00 33.02 ATOM 146 N HIS 10 14.173 -23.071 6.781 1.00 73.31 ATOM 147 HN HIS 10 14.889 -23.507 7.294 1.00 38.33 ATOM 148 CA HIS 10 13.906 -21.641 7.008 1.00 33.34 ATOM 149 HA HIS 10 13.952 -21.144 6.048 1.00 33.03 ATOM 150 CB HIS 10 12.498 -21.439 7.608 1.00 50.22 ATOM 151 HB1 HIS 10 11.767 -21.864 6.934 1.00 38.33 ATOM 152 HB2 HIS 10 12.308 -20.380 7.706 1.00 4.15 ATOM 153 CG HIS 10 12.294 -22.061 8.959 1.00 64.32 ATOM 154 ND1 HIS 10 11.620 -21.424 9.978 1.00 13.21 ATOM 155 HD1 HIS 10 11.216 -20.531 9.924 1.00 51.53 ATOM 156 CD2 HIS 10 12.653 -23.272 9.454 1.00 44.52 ATOM 157 HD2 HIS 10 13.202 -24.042 8.931 1.00 40.02 ATOM 158 CE1 HIS 10 11.577 -22.208 11.035 1.00 64.24 ATOM 159 HE1 HIS 10 11.115 -21.966 11.982 1.00 74.04 ATOM 160 NE2 HIS 10 12.194 -23.332 10.747 1.00 61.23 ATOM 161 HE2 HIS 10 12.472 -23.998 11.411 1.00 38.33 ATOM 162 C HIS 10 14.980 -21.026 7.924 1.00 63.11 ATOM 163 O HIS 10 16.033 -21.629 8.141 1.00 63.53 ATOM 164 N MET 11 14.733 -19.819 8.441 1.00 32.25 ATOM 165 HN MET 11 13.920 -19.336 8.172 1.00 38.33 ATOM 166 CA MET 11 15.667 -19.187 9.385 1.00 4.43 ATOM 167 HA MET 11 16.622 -19.097 8.884 1.00 0.34 ATOM 168 CB MET 11 15.180 -17.781 9.774 1.00 21.24 ATOM 169 HB1 MET 11 15.051 -17.200 8.872 1.00 38.33 ATOM 170 HB2 MET 11 15.937 -17.306 10.383 1.00 15.24 ATOM 171 CG MET 11 13.868 -17.751 10.547 1.00 23.41 ATOM 172 HG1 MET 11 13.998 -18.284 11.478 1.00 38.33 ATOM 173 HG2 MET 11 13.104 -18.238 9.958 1.00 12.44 ATOM 174 SD MET 11 13.331 -16.066 10.912 1.00 41.53 ATOM 175 CE MET 11 11.917 -16.365 11.973 1.00 23.02 ATOM 176 HE1 MET 11 12.236 -16.895 12.859 1.00 5.42 ATOM 177 HE2 MET 11 11.185 -16.957 11.442 1.00 73.33 ATOM 178 HE3 MET 11 11.476 -15.421 12.258 1.00 50.12 ATOM 179 C MET 11 15.860 -20.062 10.639 1.00 23.51 ATOM 180 O MET 11 14.964 -20.824 11.013 1.00 75.33 ATOM 181 N ASN 12 17.026 -19.937 11.281 1.00 64.42 ATOM 182 HN ASN 12 17.651 -19.236 10.996 1.00 38.33 ATOM 183 CA ASN 12 17.404 -20.810 12.407 1.00 43.33 ATOM 184 HA ASN 12 17.633 -21.780 11.986 1.00 62.52 ATOM 185 CB ASN 12 18.663 -20.280 13.103 1.00 73.13 ATOM 186 HB1 ASN 12 18.799 -20.802 14.040 1.00 38.33 ATOM 187 HB2 ASN 12 18.546 -19.223 13.299 1.00 22.44 ATOM 188 CG ASN 12 19.910 -20.480 12.259 1.00 44.05 ATOM 189 OD1 ASN 12 20.556 -21.519 12.328 1.00 22.02 ATOM 190 ND2 ASN 12 20.261 -19.495 11.459 1.00 74.30 ATOM 191 HD21 ASN 12 19.711 -18.687 11.446 1.00 61.34 ATOM 192 HD22 ASN 12 21.065 -19.616 10.913 1.00 55.40 ATOM 193 C ASN 12 16.265 -20.991 13.424 1.00 55.34 ATOM 194 O ASN 12 15.883 -20.061 14.137 1.00 35.00 ATOM 195 N SER 13 15.733 -22.210 13.476 1.00 20.40 ATOM 196 HN SER 13 16.119 -22.917 12.914 1.00 38.33 ATOM 197 CA SER 13 14.596 -22.536 14.343 1.00 15.34 ATOM 198 HA SER 13 13.796 -21.845 14.111 1.00 2.32 ATOM 199 CB SER 13 14.108 -23.966 14.064 1.00 65.44 ATOM 200 HB1 SER 13 13.223 -24.165 14.653 1.00 38.33 ATOM 201 HB2 SER 13 14.883 -24.669 14.335 1.00 73.40 ATOM 202 OG SER 13 13.791 -24.150 12.691 1.00 70.14 ATOM 203 HG SER 13 14.403 -24.790 12.303 1.00 3.42 ATOM 204 C SER 13 14.956 -22.389 15.826 1.00 32.22 ATOM 205 O SER 13 14.156 -21.897 16.620 1.00 72.50 ATOM 206 N ALA 14 16.167 -22.799 16.188 1.00 15.51 ATOM 207 HN ALA 14 16.781 -23.133 15.500 1.00 38.33 ATOM 208 CA ALA 14 16.612 -22.773 17.585 1.00 74.04 ATOM 209 HA ALA 14 15.930 -23.392 18.153 1.00 61.01 ATOM 210 CB ALA 14 18.001 -23.390 17.701 1.00 3.51 ATOM 211 HB1 ALA 14 18.712 -22.788 17.153 1.00 23.33 ATOM 212 HB2 ALA 14 17.987 -24.389 17.292 1.00 0.12 ATOM 213 HB3 ALA 14 18.293 -23.434 18.742 1.00 14.55 ATOM 214 C ALA 14 16.597 -21.354 18.185 1.00 44.32 ATOM 215 O ALA 14 16.048 -21.144 19.267 1.00 42.02 ATOM 216 N GLU 15 17.187 -20.383 17.479 1.00 40.14 ATOM 217 HN GLU 15 17.580 -20.599 16.608 1.00 38.33 ATOM 218 CA GLU 15 17.260 -18.997 17.976 1.00 73.44 ATOM 219 HA GLU 15 17.853 -19.010 18.881 1.00 64.51 ATOM 220 CB GLU 15 17.949 -18.081 16.949 1.00 3.24 ATOM 221 HB1 GLU 15 17.908 -17.063 17.310 1.00 38.33 ATOM 222 HB2 GLU 15 17.408 -18.140 16.015 1.00 32.02 ATOM 223 CG GLU 15 19.412 -18.431 16.675 1.00 1.43 ATOM 224 HG1 GLU 15 19.451 -19.394 16.184 1.00 38.33 ATOM 225 HG2 GLU 15 19.937 -18.492 17.618 1.00 30.13 ATOM 226 CD GLU 15 20.114 -17.405 15.792 1.00 71.30 ATOM 227 OE1 GLU 15 19.959 -17.468 14.554 1.00 35.04 ATOM 228 OE2 GLU 15 20.823 -16.527 16.333 1.00 12.30 ATOM 229 C GLU 15 15.865 -18.438 18.318 1.00 22.44 ATOM 230 O GLU 15 15.661 -17.855 19.389 1.00 3.44 ATOM 231 N GLN 16 14.911 -18.619 17.404 1.00 45.21 ATOM 232 HN GLN 16 15.143 -19.055 16.559 1.00 38.33 ATOM 233 CA GLN 16 13.529 -18.163 17.621 1.00 64.01 ATOM 234 HA GLN 16 13.584 -17.151 18.000 1.00 1.11 ATOM 235 CB GLN 16 12.754 -18.138 16.289 1.00 40.24 ATOM 236 HB1 GLN 16 13.083 -17.283 15.715 1.00 38.33 ATOM 237 HB2 GLN 16 11.700 -18.030 16.499 1.00 70.24 ATOM 238 CG GLN 16 12.944 -19.385 15.432 1.00 5.42 ATOM 239 HG1 GLN 16 12.601 -20.245 15.990 1.00 38.33 ATOM 240 HG2 GLN 16 13.997 -19.498 15.215 1.00 50.11 ATOM 241 CD GLN 16 12.183 -19.331 14.115 1.00 5.52 ATOM 242 OE1 GLN 16 11.096 -18.771 14.028 1.00 11.23 ATOM 243 NE2 GLN 16 12.763 -19.890 13.071 1.00 21.11 ATOM 244 HE21 GLN 16 13.643 -20.305 13.195 1.00 32.42 ATOM 245 HE22 GLN 16 12.296 -19.854 12.216 1.00 4.14 ATOM 246 C GLN 16 12.790 -19.021 18.666 1.00 24.22 ATOM 247 O GLN 16 11.925 -18.520 19.388 1.00 61.54 ATOM 248 N THR 17 13.135 -20.309 18.754 1.00 15.22 ATOM 249 HN THR 17 13.802 -20.668 18.131 1.00 38.33 ATOM 250 CA THR 17 12.537 -21.200 19.766 1.00 70.12 ATOM 251 HA THR 17 11.462 -21.150 19.649 1.00 63.51 ATOM 252 CB THR 17 12.976 -22.677 19.578 1.00 54.43 ATOM 253 HB THR 17 14.058 -22.719 19.593 1.00 24.22 ATOM 254 OG1 THR 17 12.509 -23.173 18.314 1.00 42.20 ATOM 255 HG1 THR 17 12.711 -22.536 17.625 1.00 14.01 ATOM 256 CG2 THR 17 12.437 -23.568 20.695 1.00 65.01 ATOM 257 HG21 THR 17 11.357 -23.518 20.706 1.00 1.34 ATOM 258 HG22 THR 17 12.820 -23.231 21.647 1.00 33.03 ATOM 259 HG23 THR 17 12.748 -24.588 20.524 1.00 41.12 ATOM 260 C THR 17 12.896 -20.738 21.186 1.00 60.32 ATOM 261 O THR 17 12.069 -20.800 22.097 1.00 20.34 ATOM 262 N VAL 18 14.133 -20.264 21.365 1.00 12.12 ATOM 263 HN VAL 18 14.773 -20.313 20.623 1.00 38.33 ATOM 264 CA VAL 18 14.562 -19.682 22.646 1.00 40.12 ATOM 265 HA VAL 18 14.557 -20.469 23.390 1.00 32.12 ATOM 266 CB VAL 18 15.999 -19.094 22.560 1.00 41.01 ATOM 267 HB VAL 18 15.993 -18.301 21.823 1.00 1.24 ATOM 268 CG1 VAL 18 16.426 -18.488 23.899 1.00 30.14 ATOM 269 HG11 VAL 18 17.423 -18.078 23.808 1.00 2.11 ATOM 270 HG12 VAL 18 16.422 -19.253 24.661 1.00 21.53 ATOM 271 HG13 VAL 18 15.738 -17.701 24.176 1.00 64.15 ATOM 272 CG2 VAL 18 17.002 -20.154 22.104 1.00 30.33 ATOM 273 HG21 VAL 18 17.991 -19.719 22.055 1.00 62.11 ATOM 274 HG22 VAL 18 16.723 -20.519 21.127 1.00 60.32 ATOM 275 HG23 VAL 18 17.007 -20.975 22.807 1.00 60.31 ATOM 276 C VAL 18 13.593 -18.572 23.083 1.00 12.31 ATOM 277 O VAL 18 13.075 -18.582 24.201 1.00 64.32 ATOM 278 N THR 19 13.341 -17.629 22.175 1.00 71.12 ATOM 279 HN THR 19 13.809 -17.665 21.313 1.00 38.33 ATOM 280 CA THR 19 12.394 -16.535 22.425 1.00 22.24 ATOM 281 HA THR 19 12.757 -15.962 23.267 1.00 31.22 ATOM 282 CB THR 19 12.278 -15.591 21.204 1.00 62.31 ATOM 283 HB THR 19 11.789 -16.125 20.400 1.00 41.23 ATOM 284 OG1 THR 19 13.582 -15.187 20.764 1.00 74.10 ATOM 285 HG1 THR 19 13.580 -15.098 19.801 1.00 52.34 ATOM 286 CG2 THR 19 11.451 -14.354 21.542 1.00 40.01 ATOM 287 HG21 THR 19 11.910 -13.826 22.366 1.00 40.55 ATOM 288 HG22 THR 19 10.449 -14.651 21.820 1.00 63.53 ATOM 289 HG23 THR 19 11.406 -13.704 20.681 1.00 5.53 ATOM 290 C THR 19 10.996 -17.075 22.749 1.00 15.12 ATOM 291 O THR 19 10.337 -16.611 23.678 1.00 53.03 ATOM 292 N TRP 20 10.557 -18.066 21.974 1.00 44.52 ATOM 293 HN TRP 20 11.139 -18.396 21.256 1.00 38.33 ATOM 294 CA TRP 20 9.235 -18.679 22.151 1.00 33.31 ATOM 295 HA TRP 20 8.496 -17.904 22.002 1.00 53.43 ATOM 296 CB TRP 20 9.025 -19.769 21.089 1.00 32.51 ATOM 297 HB1 TRP 20 9.796 -20.519 21.199 1.00 38.33 ATOM 298 HB2 TRP 20 9.108 -19.325 20.107 1.00 34.20 ATOM 299 CG TRP 20 7.692 -20.457 21.170 1.00 54.12 ATOM 300 CD1 TRP 20 6.455 -19.873 21.138 1.00 22.02 ATOM 301 HD1 TRP 20 6.285 -18.810 21.053 1.00 45.32 ATOM 302 CD2 TRP 20 7.466 -21.867 21.280 1.00 61.50 ATOM 303 NE1 TRP 20 5.479 -20.836 21.225 1.00 43.14 ATOM 304 HE1 TRP 20 4.509 -20.671 21.225 1.00 4.43 ATOM 305 CE2 TRP 20 6.075 -22.066 21.318 1.00 62.14 ATOM 306 CE3 TRP 20 8.310 -22.981 21.356 1.00 43.32 ATOM 307 HE3 TRP 20 9.386 -22.873 21.332 1.00 24.31 ATOM 308 CZ2 TRP 20 5.507 -23.331 21.423 1.00 62.24 ATOM 309 HZ2 TRP 20 4.437 -23.475 21.451 1.00 2.22 ATOM 310 CZ3 TRP 20 7.745 -24.238 21.460 1.00 51.20 ATOM 311 HZ3 TRP 20 8.380 -25.112 21.519 1.00 63.42 ATOM 312 CH2 TRP 20 6.355 -24.404 21.494 1.00 51.22 ATOM 313 HH2 TRP 20 5.956 -25.404 21.577 1.00 75.22 ATOM 314 C TRP 20 9.055 -19.259 23.568 1.00 35.43 ATOM 315 O TRP 20 7.998 -19.107 24.183 1.00 31.33 ATOM 316 N LEU 21 10.093 -19.905 24.089 1.00 34.20 ATOM 317 HN LEU 21 10.905 -20.018 23.549 1.00 38.33 ATOM 318 CA LEU 21 10.049 -20.465 25.446 1.00 74.23 ATOM 319 HA LEU 21 9.138 -21.042 25.534 1.00 40.45 ATOM 320 CB LEU 21 11.248 -21.396 25.673 1.00 55.11 ATOM 321 HB1 LEU 21 11.213 -21.753 26.693 1.00 38.33 ATOM 322 HB2 LEU 21 12.153 -20.817 25.546 1.00 74.33 ATOM 323 CG LEU 21 11.321 -22.619 24.740 1.00 64.52 ATOM 324 HG LEU 21 11.426 -22.277 23.719 1.00 61.55 ATOM 325 CD1 LEU 21 12.540 -23.478 25.068 1.00 71.32 ATOM 326 HD11 LEU 21 13.439 -22.894 24.935 1.00 61.11 ATOM 327 HD12 LEU 21 12.569 -24.333 24.407 1.00 45.12 ATOM 328 HD13 LEU 21 12.481 -23.818 26.092 1.00 52.14 ATOM 329 CD2 LEU 21 10.038 -23.443 24.829 1.00 62.35 ATOM 330 HD21 LEU 21 10.121 -24.311 24.191 1.00 14.44 ATOM 331 HD22 LEU 21 9.202 -22.841 24.506 1.00 40.51 ATOM 332 HD23 LEU 21 9.879 -23.759 25.850 1.00 2.03 ATOM 333 C LEU 21 10.030 -19.356 26.516 1.00 12.33 ATOM 334 O LEU 21 9.307 -19.447 27.514 1.00 51.34 ATOM 335 N ILE 22 10.822 -18.307 26.303 1.00 71.21 ATOM 336 HN ILE 22 11.370 -18.281 25.487 1.00 38.33 ATOM 337 CA ILE 22 10.908 -17.196 27.261 1.00 71.04 ATOM 338 HA ILE 22 11.043 -17.628 28.244 1.00 52.01 ATOM 339 CB ILE 22 12.133 -16.288 26.966 1.00 71.44 ATOM 340 HB ILE 22 12.009 -15.867 25.977 1.00 15.30 ATOM 341 CG1 ILE 22 13.433 -17.114 26.999 1.00 74.21 ATOM 342 HG11 ILE 22 13.357 -17.920 26.284 1.00 38.33 ATOM 343 HG12 ILE 22 13.563 -17.530 27.987 1.00 51.12 ATOM 344 CG2 ILE 22 12.206 -15.130 27.965 1.00 42.35 ATOM 345 HG21 ILE 22 12.317 -15.520 28.968 1.00 72.50 ATOM 346 HG22 ILE 22 11.301 -14.544 27.906 1.00 61.12 ATOM 347 HG23 ILE 22 13.054 -14.503 27.729 1.00 2.34 ATOM 348 CD1 ILE 22 14.682 -16.319 26.668 1.00 41.24 ATOM 349 HD11 ILE 22 14.816 -15.533 27.397 1.00 43.15 ATOM 350 HD12 ILE 22 14.584 -15.885 25.684 1.00 11.20 ATOM 351 HD13 ILE 22 15.540 -16.976 26.688 1.00 43.32 ATOM 352 C ILE 22 9.620 -16.346 27.279 1.00 75.33 ATOM 353 O ILE 22 9.149 -15.946 28.345 1.00 53.41 ATOM 354 N THR 23 9.041 -16.081 26.104 1.00 71.04 ATOM 355 HN THR 23 9.447 -16.428 25.281 1.00 38.33 ATOM 356 CA THR 23 7.811 -15.270 26.019 1.00 1.40 ATOM 357 HA THR 23 8.003 -14.339 26.537 1.00 62.51 ATOM 358 CB THR 23 7.428 -14.925 24.554 1.00 42.33 ATOM 359 HB THR 23 8.252 -14.390 24.103 1.00 43.35 ATOM 360 OG1 THR 23 6.260 -14.085 24.525 1.00 51.31 ATOM 361 HG1 THR 23 5.966 -13.905 25.429 1.00 10.43 ATOM 362 CG2 THR 23 7.159 -16.180 23.735 1.00 62.51 ATOM 363 HG21 THR 23 6.885 -15.902 22.728 1.00 61.23 ATOM 364 HG22 THR 23 6.353 -16.741 24.185 1.00 33.23 ATOM 365 HG23 THR 23 8.051 -16.791 23.707 1.00 15.12 ATOM 366 C THR 23 6.619 -15.960 26.699 1.00 3.11 ATOM 367 O THR 23 5.702 -15.295 27.178 1.00 70.35 ATOM 368 N LEU 24 6.631 -17.294 26.733 1.00 24.21 ATOM 369 HN LEU 24 7.342 -17.776 26.256 1.00 38.33 ATOM 370 CA LEU 24 5.598 -18.064 27.443 1.00 11.23 ATOM 371 HA LEU 24 4.654 -17.553 27.307 1.00 41.22 ATOM 372 CB LEU 24 5.489 -19.475 26.847 1.00 21.20 ATOM 373 HB1 LEU 24 4.816 -20.055 27.464 1.00 38.33 ATOM 374 HB2 LEU 24 6.468 -19.933 26.887 1.00 65.01 ATOM 375 CG LEU 24 4.985 -19.540 25.394 1.00 31.33 ATOM 376 HG LEU 24 5.595 -18.894 24.778 1.00 45.41 ATOM 377 CD1 LEU 24 5.107 -20.956 24.844 1.00 50.45 ATOM 378 HD11 LEU 24 4.766 -20.977 23.819 1.00 23.11 ATOM 379 HD12 LEU 24 4.504 -21.630 25.437 1.00 72.31 ATOM 380 HD13 LEU 24 6.140 -21.269 24.884 1.00 72.01 ATOM 381 CD2 LEU 24 3.541 -19.053 25.298 1.00 71.42 ATOM 382 HD21 LEU 24 3.213 -19.098 24.269 1.00 55.33 ATOM 383 HD22 LEU 24 3.480 -18.033 25.648 1.00 73.53 ATOM 384 HD23 LEU 24 2.905 -19.681 25.907 1.00 31.24 ATOM 385 C LEU 24 5.896 -18.144 28.954 1.00 72.23 ATOM 386 O LEU 24 5.054 -18.573 29.746 1.00 42.43 ATOM 387 N GLY 25 7.105 -17.735 29.341 1.00 52.02 ATOM 388 HN GLY 25 7.741 -17.429 28.664 1.00 38.33 ATOM 389 CA GLY 25 7.492 -17.717 30.750 1.00 35.15 ATOM 390 HA1 GLY 25 6.641 -17.408 31.341 1.00 38.33 ATOM 391 HA2 GLY 25 8.280 -16.990 30.878 1.00 63.22 ATOM 392 C GLY 25 7.990 -19.063 31.272 1.00 12.22 ATOM 393 O GLY 25 8.283 -19.201 32.462 1.00 22.34 ATOM 394 N VAL 26 8.106 -20.052 30.387 1.00 60.42 ATOM 395 HN VAL 26 7.902 -19.873 29.445 1.00 38.33 ATOM 396 CA VAL 26 8.533 -21.400 30.788 1.00 51.23 ATOM 397 HA VAL 26 8.085 -21.613 31.750 1.00 71.03 ATOM 398 CB VAL 26 8.039 -22.469 29.782 1.00 1.03 ATOM 399 HB VAL 26 8.209 -23.445 30.220 1.00 2.45 ATOM 400 CG1 VAL 26 6.540 -22.315 29.545 1.00 75.12 ATOM 401 HG11 VAL 26 6.334 -21.324 29.165 1.00 2.33 ATOM 402 HG12 VAL 26 6.009 -22.460 30.476 1.00 15.34 ATOM 403 HG13 VAL 26 6.211 -23.049 28.828 1.00 25.54 ATOM 404 CG2 VAL 26 8.805 -22.401 28.461 1.00 42.31 ATOM 405 HG21 VAL 26 8.426 -23.153 27.785 1.00 25.31 ATOM 406 HG22 VAL 26 9.856 -22.579 28.642 1.00 23.13 ATOM 407 HG23 VAL 26 8.677 -21.424 28.020 1.00 22.31 ATOM 408 C VAL 26 10.059 -21.489 30.932 1.00 50.04 ATOM 409 O VAL 26 10.580 -22.329 31.670 1.00 43.23 ATOM 410 N LEU 27 10.762 -20.615 30.218 1.00 32.33 ATOM 411 HN LEU 27 10.285 -20.004 29.619 1.00 38.33 ATOM 412 CA LEU 27 12.222 -20.531 30.293 1.00 23.21 ATOM 413 HA LEU 27 12.562 -21.232 31.044 1.00 22.43 ATOM 414 CB LEU 27 12.840 -20.907 28.936 1.00 23.44 ATOM 415 HB1 LEU 27 12.492 -20.197 28.199 1.00 38.33 ATOM 416 HB2 LEU 27 12.477 -21.888 28.662 1.00 40.00 ATOM 417 CG LEU 27 14.379 -20.935 28.886 1.00 5.22 ATOM 418 HG LEU 27 14.757 -19.958 29.154 1.00 2.12 ATOM 419 CD1 LEU 27 14.937 -21.941 29.892 1.00 62.52 ATOM 420 HD11 LEU 27 14.544 -22.925 29.677 1.00 14.11 ATOM 421 HD12 LEU 27 14.647 -21.650 30.892 1.00 74.02 ATOM 422 HD13 LEU 27 16.015 -21.962 29.824 1.00 25.41 ATOM 423 CD2 LEU 27 14.864 -21.256 27.472 1.00 40.11 ATOM 424 HD21 LEU 27 14.473 -22.215 27.164 1.00 12.12 ATOM 425 HD22 LEU 27 15.944 -21.287 27.459 1.00 41.21 ATOM 426 HD23 LEU 27 14.520 -20.491 26.791 1.00 53.01 ATOM 427 C LEU 27 12.654 -19.116 30.705 1.00 25.54 ATOM 428 O LEU 27 12.112 -18.126 30.214 1.00 74.44 ATOM 429 N GLU 28 13.620 -19.032 31.611 1.00 2.31 ATOM 430 HN GLU 28 14.028 -19.856 31.949 1.00 38.33 ATOM 431 CA GLU 28 14.091 -17.739 32.122 1.00 54.30 ATOM 432 HA GLU 28 13.223 -17.106 32.252 1.00 10.03 ATOM 433 CB GLU 28 14.757 -17.939 33.490 1.00 20.21 ATOM 434 HB1 GLU 28 14.010 -18.285 34.191 1.00 38.33 ATOM 435 HB2 GLU 28 15.141 -16.988 33.833 1.00 40.34 ATOM 436 CG GLU 28 15.904 -18.943 33.482 1.00 71.12 ATOM 437 HG1 GLU 28 16.717 -18.536 32.897 1.00 38.33 ATOM 438 HG2 GLU 28 15.559 -19.860 33.024 1.00 4.21 ATOM 439 CD GLU 28 16.413 -19.259 34.879 1.00 1.43 ATOM 440 OE1 GLU 28 15.720 -19.996 35.612 1.00 71.12 ATOM 441 OE2 GLU 28 17.507 -18.775 35.250 1.00 62.12 ATOM 442 C GLU 28 15.058 -17.041 31.146 1.00 42.30 ATOM 443 O GLU 28 15.544 -17.641 30.187 1.00 4.33 ATOM 444 N SER 29 15.332 -15.762 31.406 1.00 33.31 ATOM 445 HN SER 29 14.945 -15.349 32.205 1.00 38.33 ATOM 446 CA SER 29 16.209 -14.958 30.541 1.00 64.10 ATOM 447 HA SER 29 15.935 -15.164 29.515 1.00 11.41 ATOM 448 CB SER 29 16.004 -13.459 30.817 1.00 63.14 ATOM 449 HB1 SER 29 14.968 -13.205 30.645 1.00 38.33 ATOM 450 HB2 SER 29 16.629 -12.882 30.151 1.00 11.43 ATOM 451 OG SER 29 16.339 -13.127 32.159 1.00 24.41 ATOM 452 HG SER 29 15.565 -13.248 32.723 1.00 52.04 ATOM 453 C SER 29 17.690 -15.325 30.745 1.00 35.22 ATOM 454 O SER 29 18.140 -15.528 31.877 1.00 44.53 ATOM 455 N PRO 30 18.473 -15.414 29.651 1.00 50.45 ATOM 456 CA PRO 30 19.903 -15.765 29.722 1.00 51.43 ATOM 457 HA PRO 30 20.068 -16.614 30.372 1.00 63.42 ATOM 458 CB PRO 30 20.226 -16.158 28.276 1.00 14.32 ATOM 459 HB1 PRO 30 20.046 -17.214 28.138 1.00 38.33 ATOM 460 HB2 PRO 30 21.261 -15.933 28.056 1.00 44.40 ATOM 461 CG PRO 30 19.295 -15.334 27.450 1.00 64.35 ATOM 462 HG1 PRO 30 19.089 -15.836 26.515 1.00 38.33 ATOM 463 HG2 PRO 30 19.732 -14.362 27.263 1.00 72.43 ATOM 464 CD PRO 30 18.028 -15.191 28.259 1.00 44.33 ATOM 465 HD1 PRO 30 17.303 -15.936 27.965 1.00 38.33 ATOM 466 HD2 PRO 30 17.615 -14.198 28.143 1.00 62.13 ATOM 467 C PRO 30 20.797 -14.595 30.181 1.00 75.04 ATOM 468 O PRO 30 20.398 -13.430 30.143 1.00 73.24 ATOM 469 N LYS 31 22.013 -14.922 30.614 1.00 23.44 ATOM 470 HN LYS 31 22.269 -15.868 30.631 1.00 38.33 ATOM 471 CA LYS 31 22.985 -13.920 31.068 1.00 2.02 ATOM 472 HA LYS 31 22.485 -13.260 31.762 1.00 15.10 ATOM 473 CB LYS 31 24.142 -14.623 31.792 1.00 44.14 ATOM 474 HB1 LYS 31 24.614 -15.309 31.103 1.00 38.33 ATOM 475 HB2 LYS 31 23.737 -15.188 32.620 1.00 52.14 ATOM 476 CG LYS 31 25.218 -13.682 32.339 1.00 13.10 ATOM 477 HG1 LYS 31 25.568 -13.050 31.535 1.00 38.33 ATOM 478 HG2 LYS 31 26.042 -14.274 32.711 1.00 31.32 ATOM 479 CD LYS 31 24.701 -12.797 33.474 1.00 30.34 ATOM 480 HD1 LYS 31 23.912 -12.164 33.091 1.00 38.33 ATOM 481 HD2 LYS 31 25.513 -12.181 33.832 1.00 21.11 ATOM 482 CE LYS 31 24.157 -13.618 34.641 1.00 73.11 ATOM 483 HE1 LYS 31 23.261 -14.130 34.320 1.00 38.33 ATOM 484 HE2 LYS 31 23.913 -12.949 35.453 1.00 2.11 ATOM 485 NZ LYS 31 25.138 -14.625 35.131 1.00 63.41 ATOM 486 HZ1 LYS 31 24.763 -15.110 35.972 1.00 22.11 ATOM 487 HZ2 LYS 31 26.036 -14.166 35.381 1.00 43.21 ATOM 488 HZ3 LYS 31 25.321 -15.334 34.394 1.00 62.41 ATOM 489 C LYS 31 23.529 -13.089 29.895 1.00 4.33 ATOM 490 O LYS 31 23.821 -11.899 30.040 1.00 13.14 ATOM 491 N LYS 32 23.667 -13.723 28.734 1.00 13.33 ATOM 492 HN LYS 32 23.402 -14.665 28.672 1.00 38.33 ATOM 493 CA LYS 32 24.196 -13.052 27.543 1.00 53.32 ATOM 494 HA LYS 32 24.010 -11.992 27.649 1.00 64.22 ATOM 495 CB LYS 32 25.712 -13.279 27.430 1.00 63.32 ATOM 496 HB1 LYS 32 26.190 -12.864 28.306 1.00 38.33 ATOM 497 HB2 LYS 32 26.078 -12.759 26.555 1.00 42.11 ATOM 498 CG LYS 32 26.113 -14.746 27.315 1.00 3.54 ATOM 499 HG1 LYS 32 25.598 -15.184 26.471 1.00 38.33 ATOM 500 HG2 LYS 32 25.823 -15.260 28.220 1.00 43.43 ATOM 501 CD LYS 32 27.618 -14.908 27.114 1.00 4.24 ATOM 502 HD1 LYS 32 28.132 -14.463 27.955 1.00 38.33 ATOM 503 HD2 LYS 32 27.907 -14.398 26.206 1.00 53.33 ATOM 504 CE LYS 32 28.022 -16.375 27.006 1.00 60.42 ATOM 505 HE1 LYS 32 27.507 -16.818 26.166 1.00 38.33 ATOM 506 HE2 LYS 32 27.732 -16.886 27.913 1.00 2.21 ATOM 507 NZ LYS 32 29.489 -16.538 26.812 1.00 64.32 ATOM 508 HZ1 LYS 32 30.006 -16.089 27.594 1.00 41.05 ATOM 509 HZ2 LYS 32 29.784 -16.098 25.917 1.00 61.21 ATOM 510 HZ3 LYS 32 29.736 -17.549 26.783 1.00 40.10 ATOM 511 C LYS 32 23.503 -13.542 26.263 1.00 60.24 ATOM 512 O LYS 32 22.786 -14.547 26.272 1.00 0.23 ATOM 513 N THR 33 23.732 -12.820 25.165 1.00 62.21 ATOM 514 HN THR 33 24.286 -12.017 25.237 1.00 38.33 ATOM 515 CA THR 33 23.184 -13.187 23.854 1.00 32.33 ATOM 516 HA THR 33 22.105 -13.191 23.932 1.00 4.13 ATOM 517 CB THR 33 23.589 -12.157 22.767 1.00 42.42 ATOM 518 HB THR 33 24.668 -12.148 22.686 1.00 72.14 ATOM 519 OG1 THR 33 23.140 -10.841 23.139 1.00 73.43 ATOM 520 HG1 THR 33 23.799 -10.428 23.713 1.00 42.10 ATOM 521 CG2 THR 33 23.003 -12.524 21.405 1.00 31.12 ATOM 522 HG21 THR 33 21.924 -12.533 21.467 1.00 25.24 ATOM 523 HG22 THR 33 23.353 -13.503 21.110 1.00 2.31 ATOM 524 HG23 THR 33 23.315 -11.796 20.670 1.00 13.02 ATOM 525 C THR 33 23.660 -14.584 23.433 1.00 54.10 ATOM 526 O THR 33 24.848 -14.904 23.529 1.00 50.20 ATOM 527 N ILE 34 22.734 -15.415 22.972 1.00 2.43 ATOM 528 HN ILE 34 21.818 -15.087 22.843 1.00 38.33 ATOM 529 CA ILE 34 23.040 -16.812 22.659 1.00 41.43 ATOM 530 HA ILE 34 23.905 -17.100 23.242 1.00 24.11 ATOM 531 CB ILE 34 21.865 -17.734 23.070 1.00 62.23 ATOM 532 HB ILE 34 21.024 -17.525 22.422 1.00 20.45 ATOM 533 CG1 ILE 34 21.455 -17.460 24.528 1.00 1.51 ATOM 534 HG11 ILE 34 21.204 -16.413 24.634 1.00 38.33 ATOM 535 HG12 ILE 34 22.283 -17.693 25.182 1.00 3.54 ATOM 536 CG2 ILE 34 22.248 -19.202 22.887 1.00 45.41 ATOM 537 HG21 ILE 34 23.087 -19.440 23.527 1.00 73.01 ATOM 538 HG22 ILE 34 22.523 -19.378 21.857 1.00 20.34 ATOM 539 HG23 ILE 34 21.409 -19.831 23.146 1.00 65.55 ATOM 540 CD1 ILE 34 20.262 -18.270 24.990 1.00 61.25 ATOM 541 HD11 ILE 34 20.046 -18.035 26.021 1.00 62.03 ATOM 542 HD12 ILE 34 20.484 -19.324 24.901 1.00 42.51 ATOM 543 HD13 ILE 34 19.405 -18.030 24.378 1.00 41.01 ATOM 544 C ILE 34 23.359 -17.023 21.166 1.00 41.04 ATOM 545 O ILE 34 22.480 -16.912 20.307 1.00 72.54 ATOM 546 N SER 35 24.628 -17.315 20.868 1.00 51.14 ATOM 547 HN SER 35 25.298 -17.294 21.583 1.00 38.33 ATOM 548 CA SER 35 25.057 -17.653 19.497 1.00 0.41 ATOM 549 HA SER 35 24.429 -17.103 18.809 1.00 14.23 ATOM 550 CB SER 35 26.522 -17.249 19.263 1.00 73.14 ATOM 551 HB1 SER 35 26.829 -17.572 18.277 1.00 38.33 ATOM 552 HB2 SER 35 27.150 -17.721 20.004 1.00 35.01 ATOM 553 OG SER 35 26.696 -15.842 19.352 1.00 55.22 ATOM 554 HG SER 35 27.593 -15.613 19.064 1.00 64.41 ATOM 555 C SER 35 24.889 -19.151 19.221 1.00 13.02 ATOM 556 O SER 35 24.683 -19.566 18.080 1.00 65.14 ATOM 557 N ASP 36 24.999 -19.964 20.273 1.00 23.03 ATOM 558 HN ASP 36 25.261 -19.584 21.140 1.00 38.33 ATOM 559 CA ASP 36 24.748 -21.407 20.175 1.00 63.24 ATOM 560 HA ASP 36 24.623 -21.656 19.129 1.00 60.20 ATOM 561 CB ASP 36 25.940 -22.195 20.732 1.00 3.42 ATOM 562 HB1 ASP 36 25.705 -23.251 20.714 1.00 38.33 ATOM 563 HB2 ASP 36 26.118 -21.891 21.754 1.00 65.14 ATOM 564 CG ASP 36 27.211 -21.971 19.931 1.00 50.22 ATOM 565 OD1 ASP 36 27.399 -22.658 18.905 1.00 32.31 ATOM 566 OD2 ASP 36 28.031 -21.114 20.326 1.00 75.12 ATOM 567 C ASP 36 23.458 -21.787 20.927 1.00 53.35 ATOM 568 O ASP 36 23.500 -22.189 22.091 1.00 4.10 ATOM 569 N PRO 37 22.286 -21.641 20.278 1.00 34.24 ATOM 570 CA PRO 37 20.984 -21.869 20.929 1.00 62.20 ATOM 571 HA PRO 37 20.949 -21.405 21.906 1.00 22.22 ATOM 572 CB PRO 37 20.012 -21.146 19.991 1.00 65.55 ATOM 573 HB1 PRO 37 19.918 -20.112 20.292 1.00 38.33 ATOM 574 HB2 PRO 37 19.042 -21.624 20.024 1.00 73.14 ATOM 575 CG PRO 37 20.640 -21.263 18.641 1.00 70.35 ATOM 576 HG1 PRO 37 20.334 -20.433 18.019 1.00 38.33 ATOM 577 HG2 PRO 37 20.351 -22.199 18.182 1.00 22.21 ATOM 578 CD PRO 37 22.132 -21.230 18.865 1.00 32.33 ATOM 579 HD1 PRO 37 22.514 -20.230 18.713 1.00 38.33 ATOM 580 HD2 PRO 37 22.629 -21.927 18.204 1.00 1.32 ATOM 581 C PRO 37 20.607 -23.353 21.067 1.00 35.53 ATOM 582 O PRO 37 19.945 -23.740 22.029 1.00 3.23 ATOM 583 N GLU 38 21.032 -24.177 20.109 1.00 41.51 ATOM 584 HN GLU 38 21.595 -23.820 19.392 1.00 38.33 ATOM 585 CA GLU 38 20.679 -25.604 20.094 1.00 24.41 ATOM 586 HA GLU 38 19.603 -25.670 20.002 1.00 12.02 ATOM 587 CB GLU 38 21.316 -26.289 18.877 1.00 3.14 ATOM 588 HB1 GLU 38 21.028 -27.332 18.871 1.00 38.33 ATOM 589 HB2 GLU 38 22.393 -26.224 18.962 1.00 2.25 ATOM 590 CG GLU 38 20.902 -25.671 17.542 1.00 52.21 ATOM 591 HG1 GLU 38 21.232 -24.640 17.521 1.00 38.33 ATOM 592 HG2 GLU 38 19.822 -25.698 17.468 1.00 31.13 ATOM 593 CD GLU 38 21.494 -26.396 16.341 1.00 20.14 ATOM 594 OE1 GLU 38 20.745 -27.101 15.631 1.00 15.41 ATOM 595 OE2 GLU 38 22.712 -26.264 16.103 1.00 2.40 ATOM 596 C GLU 38 21.102 -26.314 21.393 1.00 43.42 ATOM 597 O GLU 38 20.283 -26.958 22.054 1.00 12.13 ATOM 598 N GLY 39 22.377 -26.179 21.758 1.00 15.34 ATOM 599 HN GLY 39 22.988 -25.677 21.182 1.00 38.33 ATOM 600 CA GLY 39 22.877 -26.777 22.996 1.00 15.35 ATOM 601 HA1 GLY 39 23.935 -26.576 23.073 1.00 38.33 ATOM 602 HA2 GLY 39 22.729 -27.846 22.952 1.00 51.33 ATOM 603 C GLY 39 22.181 -26.235 24.244 1.00 60.53 ATOM 604 O GLY 39 21.774 -27.002 25.118 1.00 12.23 ATOM 605 N PHE 40 22.048 -24.911 24.321 1.00 55.25 ATOM 606 HN PHE 40 22.447 -24.357 23.618 1.00 38.33 ATOM 607 CA PHE 40 21.352 -24.253 25.436 1.00 32.21 ATOM 608 HA PHE 40 21.932 -24.424 26.332 1.00 43.32 ATOM 609 CB PHE 40 21.271 -22.740 25.178 1.00 20.55 ATOM 610 HB1 PHE 40 20.747 -22.569 24.246 1.00 38.33 ATOM 611 HB2 PHE 40 22.273 -22.345 25.093 1.00 74.24 ATOM 612 CG PHE 40 20.558 -21.965 26.264 1.00 55.33 ATOM 613 CD1 PHE 40 21.217 -21.619 27.437 1.00 54.44 ATOM 614 HD1 PHE 40 22.249 -21.909 27.569 1.00 63.43 ATOM 615 CD2 PHE 40 19.230 -21.582 26.111 1.00 40.24 ATOM 616 HD2 PHE 40 18.703 -21.845 25.205 1.00 61.55 ATOM 617 CE1 PHE 40 20.569 -20.907 28.431 1.00 64.15 ATOM 618 HE1 PHE 40 21.094 -20.645 29.339 1.00 44.22 ATOM 619 CE2 PHE 40 18.579 -20.871 27.103 1.00 61.23 ATOM 620 HE2 PHE 40 17.547 -20.578 26.968 1.00 21.12 ATOM 621 CZ PHE 40 19.248 -20.533 28.264 1.00 61.30 ATOM 622 HZ PHE 40 18.740 -19.976 29.039 1.00 15.42 ATOM 623 C PHE 40 19.939 -24.830 25.645 1.00 41.04 ATOM 624 O PHE 40 19.550 -25.164 26.768 1.00 63.42 ATOM 625 N LEU 41 19.177 -24.940 24.559 1.00 54.15 ATOM 626 HN LEU 41 19.529 -24.633 23.697 1.00 38.33 ATOM 627 CA LEU 41 17.824 -25.503 24.616 1.00 41.13 ATOM 628 HA LEU 41 17.260 -24.926 25.337 1.00 3.50 ATOM 629 CB LEU 41 17.137 -25.392 23.249 1.00 44.33 ATOM 630 HB1 LEU 41 16.195 -25.922 23.297 1.00 38.33 ATOM 631 HB2 LEU 41 17.766 -25.880 22.516 1.00 53.13 ATOM 632 CG LEU 41 16.858 -23.959 22.769 1.00 13.12 ATOM 633 HG LEU 41 17.791 -23.416 22.718 1.00 51.33 ATOM 634 CD1 LEU 41 16.247 -23.965 21.369 1.00 73.25 ATOM 635 HD11 LEU 41 16.077 -22.947 21.046 1.00 45.15 ATOM 636 HD12 LEU 41 15.307 -24.497 21.385 1.00 72.52 ATOM 637 HD13 LEU 41 16.924 -24.452 20.682 1.00 20.22 ATOM 638 CD2 LEU 41 15.945 -23.232 23.755 1.00 35.01 ATOM 639 HD21 LEU 41 15.003 -23.756 23.831 1.00 71.02 ATOM 640 HD22 LEU 41 15.768 -22.224 23.410 1.00 45.41 ATOM 641 HD23 LEU 41 16.417 -23.199 24.727 1.00 41.12 ATOM 642 C LEU 41 17.849 -26.968 25.072 1.00 73.20 ATOM 643 O LEU 41 17.100 -27.356 25.965 1.00 11.22 ATOM 644 N GLN 42 18.719 -27.770 24.463 1.00 34.43 ATOM 645 HN GLN 42 19.286 -27.404 23.750 1.00 38.33 ATOM 646 CA GLN 42 18.856 -29.187 24.823 1.00 42.04 ATOM 647 HA GLN 42 17.920 -29.675 24.592 1.00 3.53 ATOM 648 CB GLN 42 19.976 -29.831 23.979 1.00 20.45 ATOM 649 HB1 GLN 42 20.906 -29.325 24.199 1.00 38.33 ATOM 650 HB2 GLN 42 19.743 -29.683 22.934 1.00 64.21 ATOM 651 CG GLN 42 20.180 -31.333 24.208 1.00 74.33 ATOM 652 HG1 GLN 42 20.693 -31.746 23.350 1.00 38.33 ATOM 653 HG2 GLN 42 19.212 -31.803 24.301 1.00 13.54 ATOM 654 CD GLN 42 20.994 -31.656 25.455 1.00 51.40 ATOM 655 OE1 GLN 42 21.865 -30.894 25.862 1.00 12.45 ATOM 656 NE2 GLN 42 20.713 -32.785 26.073 1.00 72.10 ATOM 657 HE21 GLN 42 20.004 -33.351 25.704 1.00 34.43 ATOM 658 HE22 GLN 42 21.228 -33.010 26.874 1.00 70.14 ATOM 659 C GLN 42 19.135 -29.349 26.329 1.00 71.21 ATOM 660 O GLN 42 18.469 -30.124 27.017 1.00 63.31 ATOM 661 N ALA 43 20.112 -28.600 26.833 1.00 30.10 ATOM 662 HN ALA 43 20.609 -28.002 26.232 1.00 38.33 ATOM 663 CA ALA 43 20.480 -28.644 28.251 1.00 53.43 ATOM 664 HA ALA 43 20.774 -29.659 28.485 1.00 42.35 ATOM 665 CB ALA 43 21.681 -27.739 28.502 1.00 42.32 ATOM 666 HB1 ALA 43 21.988 -27.822 29.535 1.00 54.23 ATOM 667 HB2 ALA 43 21.412 -26.715 28.288 1.00 64.22 ATOM 668 HB3 ALA 43 22.496 -28.037 27.859 1.00 31.40 ATOM 669 C ALA 43 19.308 -28.243 29.164 1.00 12.12 ATOM 670 O ALA 43 19.077 -28.858 30.207 1.00 75.10 ATOM 671 N SER 44 18.569 -27.212 28.760 1.00 15.45 ATOM 672 HN SER 44 18.794 -26.772 27.911 1.00 38.33 ATOM 673 CA SER 44 17.431 -26.710 29.550 1.00 22.04 ATOM 674 HA SER 44 17.766 -26.597 30.573 1.00 63.32 ATOM 675 CB SER 44 16.979 -25.338 29.025 1.00 23.13 ATOM 676 HB1 SER 44 16.144 -24.987 29.614 1.00 38.33 ATOM 677 HB2 SER 44 16.675 -25.433 27.993 1.00 42.23 ATOM 678 OG SER 44 18.026 -24.381 29.103 1.00 3.03 ATOM 679 HG SER 44 18.595 -24.460 28.329 1.00 12.53 ATOM 680 C SER 44 16.243 -27.687 29.526 1.00 55.43 ATOM 681 O SER 44 15.618 -27.953 30.554 1.00 21.45 ATOM 682 N LEU 45 15.945 -28.226 28.345 1.00 42.32 ATOM 683 HN LEU 45 16.510 -28.012 27.572 1.00 38.33 ATOM 684 CA LEU 45 14.801 -29.132 28.158 1.00 13.10 ATOM 685 HA LEU 45 13.980 -28.757 28.753 1.00 42.22 ATOM 686 CB LEU 45 14.375 -29.139 26.681 1.00 35.12 ATOM 687 HB1 LEU 45 13.521 -29.793 26.576 1.00 38.33 ATOM 688 HB2 LEU 45 15.190 -29.548 26.097 1.00 53.41 ATOM 689 CG LEU 45 14.003 -27.765 26.093 1.00 24.22 ATOM 690 HG LEU 45 14.864 -27.114 26.157 1.00 23.43 ATOM 691 CD1 LEU 45 13.630 -27.890 24.618 1.00 1.33 ATOM 692 HD11 LEU 45 12.778 -28.548 24.514 1.00 74.14 ATOM 693 HD12 LEU 45 14.466 -28.295 24.066 1.00 61.30 ATOM 694 HD13 LEU 45 13.380 -26.914 24.225 1.00 74.12 ATOM 695 CD2 LEU 45 12.868 -27.119 26.886 1.00 14.21 ATOM 696 HD21 LEU 45 11.993 -27.753 26.852 1.00 20.34 ATOM 697 HD22 LEU 45 12.630 -26.157 26.456 1.00 52.21 ATOM 698 HD23 LEU 45 13.174 -26.985 27.913 1.00 3.51 ATOM 699 C LEU 45 15.122 -30.567 28.612 1.00 75.13 ATOM 700 O LEU 45 14.221 -31.394 28.749 1.00 11.22 ATOM 701 N LYS 46 16.405 -30.841 28.849 1.00 33.32 ATOM 702 HN LYS 46 17.064 -30.121 28.738 1.00 38.33 ATOM 703 CA LYS 46 16.884 -32.178 29.244 1.00 21.43 ATOM 704 HA LYS 46 16.837 -32.815 28.374 1.00 32.11 ATOM 705 CB LYS 46 18.345 -32.081 29.711 1.00 31.45 ATOM 706 HB1 LYS 46 18.378 -31.528 30.640 1.00 38.33 ATOM 707 HB2 LYS 46 18.913 -31.544 28.964 1.00 24.15 ATOM 708 CG LYS 46 19.015 -33.435 29.933 1.00 70.31 ATOM 709 HG1 LYS 46 19.189 -33.898 28.970 1.00 38.33 ATOM 710 HG2 LYS 46 18.351 -34.060 30.513 1.00 41.42 ATOM 711 CD LYS 46 20.351 -33.317 30.674 1.00 65.12 ATOM 712 HD1 LYS 46 20.885 -32.457 30.293 1.00 38.33 ATOM 713 HD2 LYS 46 20.932 -34.208 30.485 1.00 14.42 ATOM 714 CE LYS 46 20.173 -33.160 32.188 1.00 13.35 ATOM 715 HE1 LYS 46 21.132 -33.314 32.664 1.00 38.33 ATOM 716 HE2 LYS 46 19.482 -33.913 32.536 1.00 21.32 ATOM 717 NZ LYS 46 19.654 -31.821 32.579 1.00 24.14 ATOM 718 HZ1 LYS 46 20.370 -31.090 32.395 1.00 40.13 ATOM 719 HZ2 LYS 46 19.419 -31.809 33.592 1.00 2.34 ATOM 720 HZ3 LYS 46 18.795 -31.591 32.043 1.00 72.14 ATOM 721 C LYS 46 16.042 -32.810 30.372 1.00 33.24 ATOM 722 O LYS 46 15.703 -33.991 30.326 1.00 63.34 ATOM 723 N ASP 47 15.723 -32.013 31.386 1.00 61.02 ATOM 724 HN ASP 47 15.965 -31.065 31.337 1.00 38.33 ATOM 725 CA ASP 47 15.036 -32.511 32.584 1.00 2.25 ATOM 726 HA ASP 47 15.413 -33.503 32.791 1.00 55.23 ATOM 727 CB ASP 47 15.375 -31.605 33.767 1.00 31.25 ATOM 728 HB1 ASP 47 15.009 -32.053 34.681 1.00 38.33 ATOM 729 HB2 ASP 47 14.902 -30.643 33.626 1.00 25.40 ATOM 730 CG ASP 47 16.871 -31.397 33.893 1.00 5.23 ATOM 731 OD1 ASP 47 17.516 -32.097 34.703 1.00 12.12 ATOM 732 OD2 ASP 47 17.418 -30.552 33.154 1.00 13.44 ATOM 733 C ASP 47 13.511 -32.600 32.396 1.00 52.25 ATOM 734 O ASP 47 12.791 -33.011 33.306 1.00 32.53 ATOM 735 N GLY 48 13.023 -32.198 31.224 1.00 45.33 ATOM 736 HN GLY 48 13.638 -31.839 30.549 1.00 38.33 ATOM 737 CA GLY 48 11.599 -32.309 30.915 1.00 11.24 ATOM 738 HA1 GLY 48 11.252 -33.281 31.237 1.00 38.33 ATOM 739 HA2 GLY 48 11.478 -32.244 29.844 1.00 74.23 ATOM 740 C GLY 48 10.720 -31.237 31.564 1.00 0.44 ATOM 741 O GLY 48 9.722 -30.821 30.979 1.00 42.24 ATOM 742 N VAL 49 11.089 -30.783 32.765 1.00 63.12 ATOM 743 HN VAL 49 11.920 -31.115 33.159 1.00 38.33 ATOM 744 CA VAL 49 10.274 -29.816 33.525 1.00 4.44 ATOM 745 HA VAL 49 9.371 -30.328 33.832 1.00 32.44 ATOM 746 CB VAL 49 11.007 -29.335 34.805 1.00 11.52 ATOM 747 HB VAL 49 11.842 -28.716 34.501 1.00 40.41 ATOM 748 CG1 VAL 49 10.080 -28.481 35.673 1.00 35.24 ATOM 749 HG11 VAL 49 9.212 -29.062 35.960 1.00 55.31 ATOM 750 HG12 VAL 49 9.760 -27.612 35.115 1.00 72.22 ATOM 751 HG13 VAL 49 10.607 -28.163 36.561 1.00 54.33 ATOM 752 CG2 VAL 49 11.559 -30.521 35.597 1.00 41.22 ATOM 753 HG21 VAL 49 12.248 -31.079 34.979 1.00 75.12 ATOM 754 HG22 VAL 49 10.745 -31.165 35.900 1.00 13.05 ATOM 755 HG23 VAL 49 12.077 -30.160 36.475 1.00 5.13 ATOM 756 C VAL 49 9.875 -28.587 32.681 1.00 4.35 ATOM 757 O VAL 49 8.713 -28.177 32.679 1.00 15.35 ATOM 758 N VAL 50 10.838 -28.005 31.960 1.00 4.22 ATOM 759 HN VAL 50 11.753 -28.352 32.018 1.00 38.33 ATOM 760 CA VAL 50 10.557 -26.854 31.088 1.00 52.35 ATOM 761 HA VAL 50 10.148 -26.065 31.707 1.00 71.23 ATOM 762 CB VAL 50 11.848 -26.318 30.412 1.00 64.12 ATOM 763 HB VAL 50 12.244 -27.097 29.772 1.00 10.45 ATOM 764 CG1 VAL 50 11.541 -25.099 29.540 1.00 22.32 ATOM 765 HG11 VAL 50 12.454 -24.735 29.089 1.00 14.34 ATOM 766 HG12 VAL 50 11.104 -24.318 30.147 1.00 21.24 ATOM 767 HG13 VAL 50 10.845 -25.379 28.762 1.00 23.11 ATOM 768 CG2 VAL 50 12.911 -25.978 31.459 1.00 22.13 ATOM 769 HG21 VAL 50 12.534 -25.214 32.127 1.00 53.40 ATOM 770 HG22 VAL 50 13.801 -25.613 30.966 1.00 13.33 ATOM 771 HG23 VAL 50 13.156 -26.864 32.028 1.00 22.04 ATOM 772 C VAL 50 9.522 -27.216 30.004 1.00 11.23 ATOM 773 O VAL 50 8.677 -26.397 29.638 1.00 11.11 ATOM 774 N LEU 51 9.587 -28.454 29.509 1.00 45.02 ATOM 775 HN LEU 51 10.293 -29.053 29.823 1.00 38.33 ATOM 776 CA LEU 51 8.620 -28.950 28.520 1.00 73.22 ATOM 777 HA LEU 51 8.580 -28.235 27.710 1.00 31.32 ATOM 778 CB LEU 51 9.069 -30.310 27.963 1.00 62.25 ATOM 779 HB1 LEU 51 8.266 -30.709 27.359 1.00 38.33 ATOM 780 HB2 LEU 51 9.231 -30.979 28.798 1.00 1.01 ATOM 781 CG LEU 51 10.345 -30.294 27.110 1.00 70.13 ATOM 782 HG LEU 51 11.159 -29.882 27.693 1.00 71.54 ATOM 783 CD1 LEU 51 10.729 -31.714 26.705 1.00 62.13 ATOM 784 HD11 LEU 51 9.935 -32.150 26.115 1.00 50.44 ATOM 785 HD12 LEU 51 10.888 -32.310 27.592 1.00 62.22 ATOM 786 HD13 LEU 51 11.638 -31.689 26.123 1.00 11.35 ATOM 787 CD2 LEU 51 10.156 -29.414 25.873 1.00 32.14 ATOM 788 HD21 LEU 51 11.055 -29.433 25.274 1.00 13.21 ATOM 789 HD22 LEU 51 9.954 -28.399 26.181 1.00 61.14 ATOM 790 HD23 LEU 51 9.325 -29.784 25.288 1.00 4.41 ATOM 791 C LEU 51 7.218 -29.079 29.134 1.00 3.22 ATOM 792 O LEU 51 6.218 -28.739 28.501 1.00 53.54 ATOM 793 N CYS 52 7.151 -29.577 30.368 1.00 51.01 ATOM 794 HN CYS 52 7.975 -29.889 30.802 1.00 38.33 ATOM 795 CA CYS 52 5.880 -29.683 31.093 1.00 11.44 ATOM 796 HA CYS 52 5.218 -30.310 30.510 1.00 62.04 ATOM 797 CB CYS 52 6.106 -30.333 32.462 1.00 51.41 ATOM 798 HB1 CYS 52 5.151 -30.464 32.953 1.00 38.33 ATOM 799 HB2 CYS 52 6.726 -29.684 33.063 1.00 43.31 ATOM 800 SG CYS 52 6.918 -31.951 32.382 1.00 21.42 ATOM 801 HG CYS 52 6.058 -32.818 31.869 1.00 12.34 ATOM 802 C CYS 52 5.235 -28.301 31.258 1.00 23.12 ATOM 803 O CYS 52 4.040 -28.129 31.014 1.00 40.02 ATOM 804 N ARG 53 6.040 -27.316 31.669 1.00 1.53 ATOM 805 HN ARG 53 6.954 -27.536 31.949 1.00 38.33 ATOM 806 CA ARG 53 5.593 -25.915 31.723 1.00 54.42 ATOM 807 HA ARG 53 4.811 -25.838 32.466 1.00 61.13 ATOM 808 CB ARG 53 6.755 -24.986 32.107 1.00 65.51 ATOM 809 HB1 ARG 53 6.383 -23.971 32.146 1.00 38.33 ATOM 810 HB2 ARG 53 7.513 -25.047 31.338 1.00 31.02 ATOM 811 CG ARG 53 7.417 -25.296 33.444 1.00 31.34 ATOM 812 HG1 ARG 53 7.776 -26.316 33.432 1.00 38.33 ATOM 813 HG2 ARG 53 6.691 -25.177 34.236 1.00 61.20 ATOM 814 CD ARG 53 8.594 -24.359 33.704 1.00 64.31 ATOM 815 HD1 ARG 53 8.231 -23.339 33.717 1.00 38.33 ATOM 816 HD2 ARG 53 9.312 -24.471 32.902 1.00 64.41 ATOM 817 NE ARG 53 9.260 -24.642 34.972 1.00 61.21 ATOM 818 HE ARG 53 8.873 -25.337 35.540 1.00 24.45 ATOM 819 CZ ARG 53 10.328 -24.017 35.394 1.00 71.11 ATOM 820 NH1 ARG 53 10.872 -23.085 34.674 1.00 55.41 ATOM 821 HH11 ARG 53 10.476 -22.838 33.792 1.00 64.22 ATOM 822 HH12 ARG 53 11.681 -22.606 35.007 1.00 2.23 ATOM 823 NH2 ARG 53 10.846 -24.329 36.538 1.00 11.52 ATOM 824 HH21 ARG 53 10.431 -25.046 37.095 1.00 3.22 ATOM 825 HH22 ARG 53 11.657 -23.846 36.868 1.00 15.10 ATOM 826 C ARG 53 5.041 -25.474 30.358 1.00 74.14 ATOM 827 O ARG 53 3.940 -24.932 30.257 1.00 54.44 ATOM 828 N LEU 54 5.835 -25.719 29.315 1.00 1.42 ATOM 829 HN LEU 54 6.704 -26.146 29.479 1.00 38.33 ATOM 830 CA LEU 54 5.471 -25.381 27.934 1.00 10.55 ATOM 831 HA LEU 54 5.423 -24.305 27.855 1.00 62.30 ATOM 832 CB LEU 54 6.565 -25.900 26.988 1.00 34.44 ATOM 833 HB1 LEU 54 6.647 -26.971 27.125 1.00 38.33 ATOM 834 HB2 LEU 54 7.505 -25.450 27.281 1.00 0.51 ATOM 835 CG LEU 54 6.348 -25.626 25.493 1.00 50.21 ATOM 836 HG LEU 54 5.400 -26.048 25.190 1.00 31.23 ATOM 837 CD1 LEU 54 6.299 -24.126 25.218 1.00 53.45 ATOM 838 HD11 LEU 54 7.232 -23.670 25.521 1.00 24.54 ATOM 839 HD12 LEU 54 5.487 -23.682 25.775 1.00 53.25 ATOM 840 HD13 LEU 54 6.143 -23.956 24.162 1.00 24.04 ATOM 841 CD2 LEU 54 7.444 -26.293 24.665 1.00 43.11 ATOM 842 HD21 LEU 54 7.276 -26.094 23.616 1.00 4.45 ATOM 843 HD22 LEU 54 7.425 -27.360 24.834 1.00 70.51 ATOM 844 HD23 LEU 54 8.409 -25.900 24.955 1.00 75.03 ATOM 845 C LEU 54 4.106 -25.968 27.543 1.00 10.21 ATOM 846 O LEU 54 3.237 -25.263 27.022 1.00 20.05 ATOM 847 N LEU 55 3.920 -27.256 27.815 1.00 31.01 ATOM 848 HN LEU 55 4.633 -27.755 28.266 1.00 38.33 ATOM 849 CA LEU 55 2.682 -27.951 27.458 1.00 75.31 ATOM 850 HA LEU 55 2.483 -27.740 26.416 1.00 13.15 ATOM 851 CB LEU 55 2.855 -29.468 27.626 1.00 20.45 ATOM 852 HB1 LEU 55 2.977 -29.681 28.679 1.00 38.33 ATOM 853 HB2 LEU 55 3.761 -29.763 27.112 1.00 13.12 ATOM 854 CG LEU 55 1.695 -30.327 27.092 1.00 61.03 ATOM 855 HG LEU 55 0.789 -30.071 27.625 1.00 64.54 ATOM 856 CD1 LEU 55 1.459 -30.057 25.606 1.00 62.35 ATOM 857 HD11 LEU 55 1.228 -29.011 25.462 1.00 75.05 ATOM 858 HD12 LEU 55 0.632 -30.657 25.257 1.00 45.03 ATOM 859 HD13 LEU 55 2.349 -30.309 25.046 1.00 0.31 ATOM 860 CD2 LEU 55 1.977 -31.807 27.326 1.00 12.34 ATOM 861 HD21 LEU 55 1.155 -32.394 26.947 1.00 23.13 ATOM 862 HD22 LEU 55 2.090 -31.989 28.384 1.00 51.22 ATOM 863 HD23 LEU 55 2.886 -32.088 26.812 1.00 14.33 ATOM 864 C LEU 55 1.490 -27.449 28.291 1.00 73.30 ATOM 865 O LEU 55 0.368 -27.408 27.803 1.00 13.32 ATOM 866 N GLU 56 1.739 -27.062 29.544 1.00 61.22 ATOM 867 HN GLU 56 2.648 -27.153 29.900 1.00 38.33 ATOM 868 CA GLU 56 0.680 -26.517 30.414 1.00 22.04 ATOM 869 HA GLU 56 -0.204 -27.122 30.265 1.00 25.32 ATOM 870 CB GLU 56 1.094 -26.614 31.891 1.00 63.45 ATOM 871 HB1 GLU 56 0.410 -26.024 32.487 1.00 38.33 ATOM 872 HB2 GLU 56 2.090 -26.206 32.000 1.00 72.43 ATOM 873 CG GLU 56 1.099 -28.037 32.443 1.00 64.25 ATOM 874 HG1 GLU 56 1.486 -28.016 33.453 1.00 38.33 ATOM 875 HG2 GLU 56 1.747 -28.645 31.827 1.00 22.32 ATOM 876 CD GLU 56 -0.289 -28.667 32.465 1.00 22.44 ATOM 877 OE1 GLU 56 -0.579 -29.526 31.610 1.00 53.51 ATOM 878 OE2 GLU 56 -1.101 -28.298 33.342 1.00 54.04 ATOM 879 C GLU 56 0.333 -25.060 30.061 1.00 13.15 ATOM 880 O GLU 56 -0.798 -24.617 30.261 1.00 71.21 ATOM 881 N ARG 57 1.308 -24.313 29.546 1.00 22.01 ATOM 882 HN ARG 57 2.201 -24.705 29.438 1.00 38.33 ATOM 883 CA ARG 57 1.079 -22.917 29.139 1.00 75.32 ATOM 884 HA ARG 57 0.526 -22.434 29.934 1.00 40.23 ATOM 885 CB ARG 57 2.415 -22.184 28.952 1.00 13.32 ATOM 886 HB1 ARG 57 2.240 -21.272 28.398 1.00 38.33 ATOM 887 HB2 ARG 57 3.079 -22.816 28.380 1.00 32.14 ATOM 888 CG ARG 57 3.117 -21.818 30.258 1.00 21.02 ATOM 889 HG1 ARG 57 4.049 -21.322 30.025 1.00 38.33 ATOM 890 HG2 ARG 57 3.321 -22.723 30.813 1.00 74.32 ATOM 891 CD ARG 57 2.264 -20.890 31.121 1.00 41.44 ATOM 892 HD1 ARG 57 2.854 -20.561 31.966 1.00 38.33 ATOM 893 HD2 ARG 57 1.404 -21.439 31.479 1.00 24.35 ATOM 894 NE ARG 57 1.799 -19.716 30.379 1.00 3.04 ATOM 895 HE ARG 57 2.077 -19.628 29.445 1.00 1.22 ATOM 896 CZ ARG 57 1.013 -18.795 30.874 1.00 12.04 ATOM 897 NH1 ARG 57 0.643 -18.837 32.115 1.00 25.12 ATOM 898 HH11 ARG 57 0.960 -19.578 32.704 1.00 41.44 ATOM 899 HH12 ARG 57 0.044 -18.130 32.479 1.00 34.41 ATOM 900 NH2 ARG 57 0.612 -17.822 30.124 1.00 13.31 ATOM 901 HH21 ARG 57 0.907 -17.772 29.170 1.00 21.53 ATOM 902 HH22 ARG 57 -0.005 -17.128 30.491 1.00 31.33 ATOM 903 C ARG 57 0.250 -22.827 27.846 1.00 3.24 ATOM 904 O ARG 57 -0.397 -21.811 27.582 1.00 24.22 ATOM 905 N LEU 58 0.299 -23.882 27.036 1.00 72.03 ATOM 906 HN LEU 58 0.887 -24.628 27.274 1.00 38.33 ATOM 907 CA LEU 58 -0.478 -23.952 25.788 1.00 41.21 ATOM 908 HA LEU 58 -0.796 -22.950 25.534 1.00 24.52 ATOM 909 CB LEU 58 0.410 -24.492 24.656 1.00 4.45 ATOM 910 HB1 LEU 58 -0.178 -24.524 23.749 1.00 38.33 ATOM 911 HB2 LEU 58 0.703 -25.503 24.910 1.00 73.33 ATOM 912 CG LEU 58 1.683 -23.671 24.378 1.00 53.31 ATOM 913 HG LEU 58 2.277 -23.629 25.282 1.00 11.42 ATOM 914 CD1 LEU 58 2.531 -24.332 23.297 1.00 60.02 ATOM 915 HD11 LEU 58 1.972 -24.375 22.373 1.00 61.41 ATOM 916 HD12 LEU 58 2.792 -25.335 23.605 1.00 52.54 ATOM 917 HD13 LEU 58 3.433 -23.758 23.145 1.00 62.24 ATOM 918 CD2 LEU 58 1.327 -22.238 23.983 1.00 2.40 ATOM 919 HD21 LEU 58 0.775 -21.769 24.783 1.00 43.34 ATOM 920 HD22 LEU 58 0.723 -22.249 23.087 1.00 11.42 ATOM 921 HD23 LEU 58 2.234 -21.680 23.797 1.00 62.03 ATOM 922 C LEU 58 -1.726 -24.840 25.952 1.00 63.01 ATOM 923 O LEU 58 -2.812 -24.506 25.473 1.00 2.24 ATOM 924 N LEU 59 -1.555 -25.975 26.625 1.00 72.12 ATOM 925 HN LEU 59 -0.661 -26.196 26.950 1.00 38.33 ATOM 926 CA LEU 59 -2.655 -26.912 26.903 1.00 23.01 ATOM 927 HA LEU 59 -3.581 -26.452 26.581 1.00 13.10 ATOM 928 CB LEU 59 -2.449 -28.222 26.122 1.00 55.53 ATOM 929 HB1 LEU 59 -3.256 -28.898 26.373 1.00 38.33 ATOM 930 HB2 LEU 59 -1.519 -28.668 26.451 1.00 30.14 ATOM 931 CG LEU 59 -2.396 -28.086 24.592 1.00 25.44 ATOM 932 HG LEU 59 -1.617 -27.386 24.328 1.00 63.51 ATOM 933 CD1 LEU 59 -2.057 -29.427 23.946 1.00 22.43 ATOM 934 HD11 LEU 59 -2.807 -30.158 24.209 1.00 11.52 ATOM 935 HD12 LEU 59 -1.091 -29.760 24.298 1.00 55.52 ATOM 936 HD13 LEU 59 -2.026 -29.312 22.872 1.00 42.31 ATOM 937 CD2 LEU 59 -3.718 -27.547 24.051 1.00 73.03 ATOM 938 HD21 LEU 59 -4.516 -28.236 24.291 1.00 61.31 ATOM 939 HD22 LEU 59 -3.650 -27.435 22.978 1.00 30.34 ATOM 940 HD23 LEU 59 -3.925 -26.586 24.498 1.00 53.21 ATOM 941 C LEU 59 -2.749 -27.214 28.414 1.00 40.41 ATOM 942 O LEU 59 -2.256 -28.243 28.882 1.00 64.01 ATOM 943 N PRO 60 -3.374 -26.315 29.200 1.00 64.51 ATOM 944 CA PRO 60 -3.445 -26.459 30.668 1.00 43.04 ATOM 945 HA PRO 60 -2.455 -26.551 31.098 1.00 15.54 ATOM 946 CB PRO 60 -4.075 -25.132 31.124 1.00 2.14 ATOM 947 HB1 PRO 60 -3.296 -24.437 31.403 1.00 38.33 ATOM 948 HB2 PRO 60 -4.726 -25.306 31.972 1.00 21.32 ATOM 949 CG PRO 60 -4.838 -24.647 29.937 1.00 35.13 ATOM 950 HG1 PRO 60 -4.913 -23.568 29.962 1.00 38.33 ATOM 951 HG2 PRO 60 -5.825 -25.090 29.926 1.00 11.21 ATOM 952 CD PRO 60 -4.051 -25.090 28.732 1.00 24.41 ATOM 953 HD1 PRO 60 -3.329 -24.334 28.452 1.00 38.33 ATOM 954 HD2 PRO 60 -4.711 -25.305 27.904 1.00 44.11 ATOM 955 C PRO 60 -4.303 -27.653 31.123 1.00 51.13 ATOM 956 O PRO 60 -5.465 -27.789 30.725 1.00 62.15 ATOM 957 N GLY 61 -3.723 -28.510 31.966 1.00 24.21 ATOM 958 HN GLY 61 -2.788 -28.360 32.232 1.00 38.33 ATOM 959 CA GLY 61 -4.446 -29.664 32.494 1.00 43.24 ATOM 960 HA1 GLY 61 -5.509 -29.470 32.436 1.00 38.33 ATOM 961 HA2 GLY 61 -4.177 -29.793 33.532 1.00 41.02 ATOM 962 C GLY 61 -4.141 -30.958 31.746 1.00 4.24 ATOM 963 O GLY 61 -4.964 -31.876 31.716 1.00 24.33 ATOM 964 N THR 62 -2.956 -31.035 31.145 1.00 44.31 ATOM 965 HN THR 62 -2.337 -30.274 31.216 1.00 38.33 ATOM 966 CA THR 62 -2.546 -32.218 30.374 1.00 32.24 ATOM 967 HA THR 62 -3.429 -32.809 30.170 1.00 65.23 ATOM 968 CB THR 62 -1.913 -31.810 29.021 1.00 21.40 ATOM 969 HB THR 62 -1.005 -31.253 29.217 1.00 73.44 ATOM 970 OG1 THR 62 -2.819 -30.976 28.280 1.00 21.13 ATOM 971 HG1 THR 62 -2.644 -30.051 28.498 1.00 21.43 ATOM 972 CG2 THR 62 -1.561 -33.034 28.186 1.00 52.44 ATOM 973 HG21 THR 62 -1.141 -32.717 27.243 1.00 55.25 ATOM 974 HG22 THR 62 -2.453 -33.617 28.004 1.00 43.14 ATOM 975 HG23 THR 62 -0.839 -33.638 28.716 1.00 21.34 ATOM 976 C THR 62 -1.542 -33.083 31.154 1.00 71.11 ATOM 977 O THR 62 -1.620 -34.315 31.142 1.00 61.35 ATOM 978 N ILE 63 -0.591 -32.435 31.821 1.00 32.21 ATOM 979 HN ILE 63 -0.560 -31.455 31.774 1.00 38.33 ATOM 980 CA ILE 63 0.408 -33.143 32.630 1.00 12.53 ATOM 981 HA ILE 63 0.786 -33.970 32.044 1.00 34.14 ATOM 982 CB ILE 63 1.600 -32.218 32.994 1.00 34.24 ATOM 983 HB ILE 63 1.221 -31.412 33.607 1.00 54.13 ATOM 984 CG1 ILE 63 2.236 -31.621 31.727 1.00 55.41 ATOM 985 HG11 ILE 63 3.026 -30.942 32.014 1.00 38.33 ATOM 986 HG12 ILE 63 1.484 -31.074 31.178 1.00 35.51 ATOM 987 CG2 ILE 63 2.644 -32.978 33.814 1.00 45.43 ATOM 988 HG21 ILE 63 2.200 -33.320 34.738 1.00 41.23 ATOM 989 HG22 ILE 63 3.475 -32.324 34.036 1.00 73.42 ATOM 990 HG23 ILE 63 2.998 -33.829 33.248 1.00 12.25 ATOM 991 CD1 ILE 63 2.831 -32.651 30.789 1.00 31.24 ATOM 992 HD11 ILE 63 3.599 -33.210 31.305 1.00 72.43 ATOM 993 HD12 ILE 63 3.263 -32.150 29.936 1.00 22.41 ATOM 994 HD13 ILE 63 2.056 -33.325 30.456 1.00 61.21 ATOM 995 C ILE 63 -0.218 -33.691 33.923 1.00 35.21 ATOM 996 O ILE 63 -0.839 -32.948 34.688 1.00 10.22 ATOM 997 N GLU 64 -0.057 -34.990 34.170 1.00 34.21 ATOM 998 HN GLU 64 0.452 -35.542 33.535 1.00 38.33 ATOM 999 CA GLU 64 -0.625 -35.616 35.370 1.00 50.11 ATOM 1000 HA GLU 64 -1.428 -34.980 35.720 1.00 61.51 ATOM 1001 CB GLU 64 -1.207 -36.996 35.039 1.00 2.31 ATOM 1002 HB1 GLU 64 -0.418 -37.625 34.653 1.00 38.33 ATOM 1003 HB2 GLU 64 -1.968 -36.880 34.279 1.00 2.01 ATOM 1004 CG GLU 64 -1.833 -37.694 36.244 1.00 1.44 ATOM 1005 HG1 GLU 64 -2.541 -37.020 36.706 1.00 38.33 ATOM 1006 HG2 GLU 64 -1.052 -37.928 36.953 1.00 62.42 ATOM 1007 CD GLU 64 -2.552 -38.979 35.876 1.00 21.52 ATOM 1008 OE1 GLU 64 -1.880 -40.017 35.715 1.00 10.31 ATOM 1009 OE2 GLU 64 -3.796 -38.955 35.757 1.00 25.10 ATOM 1010 C GLU 64 0.415 -35.737 36.492 1.00 62.22 ATOM 1011 O GLU 64 0.157 -35.356 37.637 1.00 63.34 ATOM 1012 N LYS 65 1.592 -36.266 36.169 1.00 50.31 ATOM 1013 HN LYS 65 1.747 -36.568 35.247 1.00 38.33 ATOM 1014 CA LYS 65 2.663 -36.414 37.163 1.00 71.23 ATOM 1015 HA LYS 65 2.385 -35.832 38.032 1.00 10.12 ATOM 1016 CB LYS 65 2.807 -37.886 37.586 1.00 44.30 ATOM 1017 HB1 LYS 65 3.001 -38.484 36.706 1.00 38.33 ATOM 1018 HB2 LYS 65 1.874 -38.212 38.027 1.00 21.24 ATOM 1019 CG LYS 65 3.929 -38.143 38.596 1.00 75.44 ATOM 1020 HG1 LYS 65 4.872 -37.874 38.141 1.00 38.33 ATOM 1021 HG2 LYS 65 3.938 -39.195 38.844 1.00 31.55 ATOM 1022 CD LYS 65 3.749 -37.334 39.883 1.00 63.33 ATOM 1023 HD1 LYS 65 2.804 -37.600 40.335 1.00 38.33 ATOM 1024 HD2 LYS 65 3.748 -36.282 39.639 1.00 5.42 ATOM 1025 CE LYS 65 4.867 -37.601 40.887 1.00 74.25 ATOM 1026 HE1 LYS 65 5.812 -37.329 40.438 1.00 38.33 ATOM 1027 HE2 LYS 65 4.876 -38.654 41.125 1.00 1.24 ATOM 1028 NZ LYS 65 4.690 -36.828 42.146 1.00 41.52 ATOM 1029 HZ1 LYS 65 4.707 -35.808 41.949 1.00 1.03 ATOM 1030 HZ2 LYS 65 5.456 -37.052 42.814 1.00 70.15 ATOM 1031 HZ3 LYS 65 3.782 -37.070 42.593 1.00 64.13 ATOM 1032 C LYS 65 4.003 -35.879 36.637 1.00 72.14 ATOM 1033 O LYS 65 4.711 -36.562 35.895 1.00 34.21 ATOM 1034 N VAL 66 4.338 -34.649 37.020 1.00 42.54 ATOM 1035 HN VAL 66 3.698 -34.121 37.547 1.00 38.33 ATOM 1036 CA VAL 66 5.635 -34.060 36.676 1.00 13.31 ATOM 1037 HA VAL 66 6.085 -34.671 35.904 1.00 23.32 ATOM 1038 CB VAL 66 5.487 -32.613 36.127 1.00 50.44 ATOM 1039 HB VAL 66 4.790 -32.639 35.301 1.00 4.54 ATOM 1040 CG1 VAL 66 4.920 -31.672 37.191 1.00 74.34 ATOM 1041 HG11 VAL 66 5.600 -31.624 38.031 1.00 45.53 ATOM 1042 HG12 VAL 66 3.961 -32.040 37.526 1.00 55.33 ATOM 1043 HG13 VAL 66 4.798 -30.684 36.770 1.00 34.21 ATOM 1044 CG2 VAL 66 6.824 -32.088 35.600 1.00 22.43 ATOM 1045 HG21 VAL 66 7.189 -32.744 34.823 1.00 24.11 ATOM 1046 HG22 VAL 66 7.543 -32.052 36.406 1.00 54.22 ATOM 1047 HG23 VAL 66 6.689 -31.094 35.197 1.00 32.13 ATOM 1048 C VAL 66 6.566 -34.043 37.897 1.00 54.05 ATOM 1049 O VAL 66 6.112 -33.983 39.041 1.00 22.10 ATOM 1050 N TYR 67 7.865 -34.111 37.645 1.00 55.10 ATOM 1051 HN TYR 67 8.159 -34.240 36.722 1.00 38.33 ATOM 1052 CA TYR 67 8.871 -34.003 38.700 1.00 73.14 ATOM 1053 HA TYR 67 8.363 -33.998 39.656 1.00 55.11 ATOM 1054 CB TYR 67 9.829 -35.203 38.652 1.00 1.11 ATOM 1055 HB1 TYR 67 10.568 -35.098 39.437 1.00 38.33 ATOM 1056 HB2 TYR 67 10.333 -35.215 37.696 1.00 11.11 ATOM 1057 CG TYR 67 9.141 -36.542 38.832 1.00 30.44 ATOM 1058 CD1 TYR 67 8.702 -37.279 37.735 1.00 20.11 ATOM 1059 HD1 TYR 67 8.855 -36.883 36.740 1.00 21.55 ATOM 1060 CD2 TYR 67 8.936 -37.073 40.101 1.00 63.44 ATOM 1061 HD2 TYR 67 9.268 -36.515 40.964 1.00 51.02 ATOM 1062 CE1 TYR 67 8.078 -38.499 37.898 1.00 45.33 ATOM 1063 HE1 TYR 67 7.741 -39.056 37.034 1.00 71.24 ATOM 1064 CE2 TYR 67 8.311 -38.292 40.270 1.00 10.03 ATOM 1065 HE2 TYR 67 8.157 -38.685 41.264 1.00 52.33 ATOM 1066 CZ TYR 67 7.887 -39.002 39.166 1.00 53.55 ATOM 1067 OH TYR 67 7.273 -40.225 39.334 1.00 0.21 ATOM 1068 HH TYR 67 7.627 -40.850 38.684 1.00 2.32 ATOM 1069 C TYR 67 9.660 -32.695 38.551 1.00 42.33 ATOM 1070 O TYR 67 10.645 -32.642 37.811 1.00 70.32 ATOM 1071 N PRO 68 9.228 -31.612 39.235 1.00 2.33 ATOM 1072 CA PRO 68 9.936 -30.319 39.196 1.00 34.32 ATOM 1073 HA PRO 68 10.000 -29.935 38.186 1.00 74.44 ATOM 1074 CB PRO 68 9.050 -29.396 40.050 1.00 63.40 ATOM 1075 HB1 PRO 68 8.409 -28.809 39.405 1.00 38.33 ATOM 1076 HB2 PRO 68 9.669 -28.736 40.643 1.00 53.23 ATOM 1077 CG PRO 68 8.253 -30.318 40.913 1.00 11.22 ATOM 1078 HG1 PRO 68 7.307 -29.861 41.168 1.00 38.33 ATOM 1079 HG2 PRO 68 8.809 -30.555 41.811 1.00 33.23 ATOM 1080 CD PRO 68 8.028 -31.559 40.092 1.00 53.11 ATOM 1081 HD1 PRO 68 7.132 -31.465 39.496 1.00 38.33 ATOM 1082 HD2 PRO 68 7.970 -32.430 40.730 1.00 53.43 ATOM 1083 C PRO 68 11.346 -30.431 39.790 1.00 11.25 ATOM 1084 O PRO 68 12.224 -29.607 39.524 1.00 15.43 ATOM 1085 N GLU 69 11.545 -31.470 40.592 1.00 55.32 ATOM 1086 HN GLU 69 10.785 -32.054 40.795 1.00 38.33 ATOM 1087 CA GLU 69 12.845 -31.780 41.189 1.00 33.10 ATOM 1088 HA GLU 69 13.584 -31.126 40.746 1.00 65.43 ATOM 1089 CB GLU 69 12.787 -31.514 42.705 1.00 63.43 ATOM 1090 HB1 GLU 69 12.718 -30.448 42.869 1.00 38.33 ATOM 1091 HB2 GLU 69 13.697 -31.880 43.161 1.00 43.25 ATOM 1092 CG GLU 69 11.599 -32.182 43.397 1.00 13.23 ATOM 1093 HG1 GLU 69 11.730 -33.255 43.354 1.00 38.33 ATOM 1094 HG2 GLU 69 10.695 -31.914 42.868 1.00 4.32 ATOM 1095 CD GLU 69 11.452 -31.768 44.850 1.00 45.52 ATOM 1096 OE1 GLU 69 10.748 -30.774 45.120 1.00 44.34 ATOM 1097 OE2 GLU 69 12.034 -32.432 45.733 1.00 31.13 ATOM 1098 C GLU 69 13.240 -33.243 40.892 1.00 53.15 ATOM 1099 O GLU 69 13.196 -34.105 41.771 1.00 41.01 ATOM 1100 N PRO 70 13.613 -33.545 39.630 1.00 70.30 ATOM 1101 CA PRO 70 13.923 -34.918 39.206 1.00 33.13 ATOM 1102 HA PRO 70 13.144 -35.605 39.512 1.00 50.12 ATOM 1103 CB PRO 70 13.937 -34.816 37.675 1.00 31.13 ATOM 1104 HB1 PRO 70 12.950 -35.031 37.287 1.00 38.33 ATOM 1105 HB2 PRO 70 14.648 -35.519 37.264 1.00 33.54 ATOM 1106 CG PRO 70 14.333 -33.405 37.393 1.00 52.15 ATOM 1107 HG1 PRO 70 13.911 -33.088 36.449 1.00 38.33 ATOM 1108 HG2 PRO 70 15.411 -33.325 37.367 1.00 71.25 ATOM 1109 CD PRO 70 13.772 -32.577 38.524 1.00 44.23 ATOM 1110 HD1 PRO 70 12.817 -32.153 38.245 1.00 38.33 ATOM 1111 HD2 PRO 70 14.464 -31.793 38.798 1.00 61.44 ATOM 1112 C PRO 70 15.274 -35.418 39.742 1.00 2.40 ATOM 1113 O PRO 70 16.336 -34.959 39.317 1.00 4.40 ATOM 1114 N ARG 71 15.225 -36.356 40.685 1.00 1.01 ATOM 1115 HN ARG 71 14.347 -36.685 40.984 1.00 38.33 ATOM 1116 CA ARG 71 16.441 -36.902 41.296 1.00 5.32 ATOM 1117 HA ARG 71 17.179 -36.112 41.320 1.00 62.32 ATOM 1118 CB ARG 71 16.157 -37.353 42.736 1.00 12.31 ATOM 1119 HB1 ARG 71 15.443 -38.165 42.713 1.00 38.33 ATOM 1120 HB2 ARG 71 15.727 -36.525 43.282 1.00 62.32 ATOM 1121 CG ARG 71 17.398 -37.829 43.488 1.00 53.52 ATOM 1122 HG1 ARG 71 17.863 -38.629 42.929 1.00 38.33 ATOM 1123 HG2 ARG 71 17.100 -38.197 44.460 1.00 4.01 ATOM 1124 CD ARG 71 18.411 -36.704 43.678 1.00 21.44 ATOM 1125 HD1 ARG 71 18.000 -35.980 44.367 1.00 38.33 ATOM 1126 HD2 ARG 71 18.591 -36.230 42.724 1.00 23.21 ATOM 1127 NE ARG 71 19.680 -37.197 44.204 1.00 32.41 ATOM 1128 HE ARG 71 20.117 -37.925 43.715 1.00 15.42 ATOM 1129 CZ ARG 71 20.271 -36.733 45.270 1.00 44.45 ATOM 1130 NH1 ARG 71 19.747 -35.761 45.950 1.00 75.21 ATOM 1131 HH11 ARG 71 18.886 -35.354 45.654 1.00 13.41 ATOM 1132 HH12 ARG 71 20.202 -35.423 46.769 1.00 62.44 ATOM 1133 NH2 ARG 71 21.400 -37.236 45.642 1.00 1.44 ATOM 1134 HH21 ARG 71 21.817 -37.968 45.104 1.00 74.01 ATOM 1135 HH22 ARG 71 21.845 -36.913 46.472 1.00 61.13 ATOM 1136 C ARG 71 17.009 -38.077 40.480 1.00 54.05 ATOM 1137 O ARG 71 18.220 -38.171 40.270 1.00 53.23 ATOM 1138 N SER 72 16.133 -38.979 40.046 1.00 35.35 ATOM 1139 HN SER 72 15.189 -38.877 40.289 1.00 38.33 ATOM 1140 CA SER 72 16.540 -40.130 39.222 1.00 23.44 ATOM 1141 HA SER 72 17.570 -40.359 39.454 1.00 61.33 ATOM 1142 CB SER 72 15.676 -41.359 39.537 1.00 43.34 ATOM 1143 HB1 SER 72 14.632 -41.107 39.408 1.00 38.33 ATOM 1144 HB2 SER 72 15.847 -41.670 40.557 1.00 55.25 ATOM 1145 OG SER 72 15.991 -42.442 38.671 1.00 2.24 ATOM 1146 HG SER 72 16.430 -43.137 39.176 1.00 15.01 ATOM 1147 C SER 72 16.427 -39.823 37.725 1.00 20.23 ATOM 1148 O SER 72 15.619 -38.990 37.307 1.00 30.42 ATOM 1149 N GLU 73 17.223 -40.523 36.917 1.00 32.30 ATOM 1150 HN GLU 73 17.864 -41.151 37.311 1.00 38.33 ATOM 1151 CA GLU 73 17.168 -40.383 35.461 1.00 32.44 ATOM 1152 HA GLU 73 17.401 -39.356 35.217 1.00 72.21 ATOM 1153 CB GLU 73 18.214 -41.301 34.809 1.00 24.04 ATOM 1154 HB1 GLU 73 17.981 -42.327 35.060 1.00 38.33 ATOM 1155 HB2 GLU 73 19.187 -41.057 35.212 1.00 1.24 ATOM 1156 CG GLU 73 18.286 -41.186 33.290 1.00 33.42 ATOM 1157 HG1 GLU 73 18.470 -40.153 33.028 1.00 38.33 ATOM 1158 HG2 GLU 73 17.336 -41.495 32.874 1.00 61.35 ATOM 1159 CD GLU 73 19.388 -42.044 32.691 1.00 72.51 ATOM 1160 OE1 GLU 73 20.577 -41.720 32.897 1.00 74.31 ATOM 1161 OE2 GLU 73 19.075 -43.051 32.017 1.00 52.30 ATOM 1162 C GLU 73 15.762 -40.712 34.933 1.00 42.53 ATOM 1163 O GLU 73 15.259 -40.056 34.015 1.00 30.25 ATOM 1164 N SER 74 15.118 -41.712 35.543 1.00 41.52 ATOM 1165 HN SER 74 15.571 -42.197 36.269 1.00 38.33 ATOM 1166 CA SER 74 13.755 -42.107 35.157 1.00 53.53 ATOM 1167 HA SER 74 13.776 -42.365 34.108 1.00 34.44 ATOM 1168 CB SER 74 13.287 -43.332 35.958 1.00 61.55 ATOM 1169 HB1 SER 74 12.275 -43.581 35.674 1.00 38.33 ATOM 1170 HB2 SER 74 13.316 -43.105 37.014 1.00 75.44 ATOM 1171 OG SER 74 14.115 -44.458 35.712 1.00 4.21 ATOM 1172 HG SER 74 13.818 -44.905 34.906 1.00 2.44 ATOM 1173 C SER 74 12.763 -40.954 35.356 1.00 0.24 ATOM 1174 O SER 74 11.802 -40.815 34.599 1.00 35.10 ATOM 1175 N GLU 75 13.010 -40.127 36.374 1.00 22.11 ATOM 1176 HN GLU 75 13.782 -40.304 36.952 1.00 38.33 ATOM 1177 CA GLU 75 12.167 -38.958 36.651 1.00 33.50 ATOM 1178 HA GLU 75 11.144 -39.300 36.723 1.00 41.44 ATOM 1179 CB GLU 75 12.571 -38.316 37.988 1.00 41.54 ATOM 1180 HB1 GLU 75 12.022 -37.392 38.109 1.00 38.33 ATOM 1181 HB2 GLU 75 13.628 -38.093 37.960 1.00 11.41 ATOM 1182 CG GLU 75 12.302 -39.195 39.210 1.00 5.22 ATOM 1183 HG1 GLU 75 12.829 -40.132 39.086 1.00 38.33 ATOM 1184 HG2 GLU 75 11.241 -39.389 39.271 1.00 25.33 ATOM 1185 CD GLU 75 12.750 -38.549 40.517 1.00 15.32 ATOM 1186 OE1 GLU 75 12.381 -37.388 40.771 1.00 74.11 ATOM 1187 OE2 GLU 75 13.472 -39.206 41.301 1.00 20.14 ATOM 1188 C GLU 75 12.262 -37.924 35.517 1.00 52.41 ATOM 1189 O GLU 75 11.246 -37.510 34.957 1.00 13.11 ATOM 1190 N CYS 76 13.487 -37.519 35.172 1.00 74.13 ATOM 1191 HN CYS 76 14.261 -37.850 35.678 1.00 38.33 ATOM 1192 CA CYS 76 13.707 -36.584 34.056 1.00 14.25 ATOM 1193 HA CYS 76 13.251 -35.639 34.320 1.00 61.32 ATOM 1194 CB CYS 76 15.208 -36.364 33.820 1.00 14.32 ATOM 1195 HB1 CYS 76 15.341 -35.721 32.961 1.00 38.33 ATOM 1196 HB2 CYS 76 15.675 -37.318 33.619 1.00 33.51 ATOM 1197 SG CYS 76 16.086 -35.610 35.213 1.00 33.52 ATOM 1198 HG CYS 76 16.684 -34.512 34.771 1.00 54.01 ATOM 1199 C CYS 76 13.054 -37.105 32.766 1.00 1.32 ATOM 1200 O CYS 76 12.354 -36.371 32.065 1.00 24.50 ATOM 1201 N LEU 77 13.280 -38.386 32.468 1.00 61.34 ATOM 1202 HN LEU 77 13.875 -38.912 33.045 1.00 38.33 ATOM 1203 CA LEU 77 12.670 -39.032 31.297 1.00 45.01 ATOM 1204 HA LEU 77 12.958 -38.465 30.422 1.00 63.43 ATOM 1205 CB LEU 77 13.192 -40.470 31.150 1.00 32.23 ATOM 1206 HB1 LEU 77 12.686 -40.930 30.313 1.00 38.33 ATOM 1207 HB2 LEU 77 12.934 -41.017 32.047 1.00 61.20 ATOM 1208 CG LEU 77 14.709 -40.601 30.923 1.00 2.44 ATOM 1209 HG LEU 77 15.230 -40.153 31.759 1.00 61.52 ATOM 1210 CD1 LEU 77 15.122 -42.071 30.854 1.00 1.31 ATOM 1211 HD11 LEU 77 16.192 -42.141 30.719 1.00 21.23 ATOM 1212 HD12 LEU 77 14.622 -42.549 30.024 1.00 74.15 ATOM 1213 HD13 LEU 77 14.844 -42.566 31.774 1.00 52.30 ATOM 1214 CD2 LEU 77 15.132 -39.862 29.656 1.00 33.54 ATOM 1215 HD21 LEU 77 16.200 -39.955 29.522 1.00 23.45 ATOM 1216 HD22 LEU 77 14.872 -38.817 29.743 1.00 64.12 ATOM 1217 HD23 LEU 77 14.625 -40.289 28.801 1.00 23.21 ATOM 1218 C LEU 77 11.134 -39.036 31.395 1.00 23.30 ATOM 1219 O LEU 77 10.440 -38.847 30.396 1.00 62.31 ATOM 1220 N SER 78 10.611 -39.238 32.606 1.00 34.33 ATOM 1221 HN SER 78 11.216 -39.373 33.367 1.00 38.33 ATOM 1222 CA SER 78 9.156 -39.262 32.835 1.00 45.01 ATOM 1223 HA SER 78 8.735 -40.028 32.197 1.00 75.53 ATOM 1224 CB SER 78 8.838 -39.608 34.299 1.00 45.01 ATOM 1225 HB1 SER 78 9.212 -38.824 34.943 1.00 38.33 ATOM 1226 HB2 SER 78 9.316 -40.541 34.557 1.00 11.13 ATOM 1227 OG SER 78 7.438 -39.743 34.511 1.00 0.40 ATOM 1228 HG SER 78 7.037 -38.869 34.598 1.00 52.21 ATOM 1229 C SER 78 8.518 -37.917 32.473 1.00 61.32 ATOM 1230 O SER 78 7.464 -37.869 31.836 1.00 75.23 ATOM 1231 N ASN 79 9.170 -36.827 32.875 1.00 35.04 ATOM 1232 HN ASN 79 9.982 -36.933 33.418 1.00 38.33 ATOM 1233 CA ASN 79 8.707 -35.475 32.541 1.00 22.02 ATOM 1234 HA ASN 79 7.723 -35.345 32.971 1.00 54.14 ATOM 1235 CB ASN 79 9.655 -34.428 33.140 1.00 3.44 ATOM 1236 HB1 ASN 79 9.266 -33.439 32.940 1.00 38.33 ATOM 1237 HB2 ASN 79 10.630 -34.526 32.684 1.00 24.13 ATOM 1238 CG ASN 79 9.809 -34.586 34.641 1.00 61.44 ATOM 1239 OD1 ASN 79 8.916 -35.073 35.318 1.00 13.34 ATOM 1240 ND2 ASN 79 10.942 -34.174 35.173 1.00 12.23 ATOM 1241 HD21 ASN 79 11.621 -33.792 34.581 1.00 42.42 ATOM 1242 HD22 ASN 79 11.053 -34.265 36.141 1.00 23.23 ATOM 1243 C ASN 79 8.607 -35.288 31.019 1.00 25.02 ATOM 1244 O ASN 79 7.604 -34.785 30.504 1.00 42.24 ATOM 1245 N ILE 80 9.651 -35.710 30.304 1.00 25.21 ATOM 1246 HN ILE 80 10.438 -36.063 30.774 1.00 38.33 ATOM 1247 CA ILE 80 9.656 -35.658 28.838 1.00 54.23 ATOM 1248 HA ILE 80 9.494 -34.630 28.541 1.00 41.23 ATOM 1249 CB ILE 80 11.018 -36.128 28.256 1.00 25.00 ATOM 1250 HB ILE 80 11.153 -37.168 28.523 1.00 44.43 ATOM 1251 CG1 ILE 80 12.177 -35.304 28.850 1.00 21.53 ATOM 1252 HG11 ILE 80 12.157 -35.393 29.928 1.00 38.33 ATOM 1253 HG12 ILE 80 12.053 -34.266 28.580 1.00 23.45 ATOM 1254 CG2 ILE 80 11.015 -36.033 26.727 1.00 10.05 ATOM 1255 HG21 ILE 80 10.243 -36.675 26.326 1.00 40.53 ATOM 1256 HG22 ILE 80 11.975 -36.347 26.343 1.00 11.30 ATOM 1257 HG23 ILE 80 10.824 -35.012 26.425 1.00 32.44 ATOM 1258 CD1 ILE 80 13.550 -35.743 28.375 1.00 72.31 ATOM 1259 HD11 ILE 80 14.304 -35.128 28.843 1.00 20.23 ATOM 1260 HD12 ILE 80 13.613 -35.634 27.302 1.00 14.22 ATOM 1261 HD13 ILE 80 13.712 -36.777 28.642 1.00 3.31 ATOM 1262 C ILE 80 8.529 -36.529 28.255 1.00 40.14 ATOM 1263 O ILE 80 7.844 -36.133 27.312 1.00 72.31 ATOM 1264 N ARG 81 8.334 -37.712 28.840 1.00 31.12 ATOM 1265 HN ARG 81 8.915 -37.967 29.589 1.00 38.33 ATOM 1266 CA ARG 81 7.283 -38.641 28.403 1.00 54.43 ATOM 1267 HA ARG 81 7.426 -38.818 27.346 1.00 72.14 ATOM 1268 CB ARG 81 7.413 -39.977 29.146 1.00 23.35 ATOM 1269 HB1 ARG 81 6.536 -40.576 28.944 1.00 38.33 ATOM 1270 HB2 ARG 81 7.463 -39.779 30.208 1.00 13.30 ATOM 1271 CG ARG 81 8.648 -40.788 28.750 1.00 55.22 ATOM 1272 HG1 ARG 81 9.524 -40.161 28.841 1.00 38.33 ATOM 1273 HG2 ARG 81 8.542 -41.112 27.724 1.00 22.34 ATOM 1274 CD ARG 81 8.824 -42.016 29.637 1.00 0.52 ATOM 1275 HD1 ARG 81 9.117 -41.692 30.626 1.00 38.33 ATOM 1276 HD2 ARG 81 9.604 -42.638 29.218 1.00 21.21 ATOM 1277 NE ARG 81 7.593 -42.798 29.731 1.00 53.31 ATOM 1278 HE ARG 81 7.152 -43.046 28.891 1.00 14.13 ATOM 1279 CZ ARG 81 7.037 -43.155 30.854 1.00 10.44 ATOM 1280 NH1 ARG 81 7.620 -42.901 31.985 1.00 72.35 ATOM 1281 HH11 ARG 81 8.505 -42.436 31.999 1.00 52.10 ATOM 1282 HH12 ARG 81 7.183 -43.167 32.841 1.00 43.34 ATOM 1283 NH2 ARG 81 5.907 -43.787 30.848 1.00 52.01 ATOM 1284 HH21 ARG 81 5.461 -44.004 29.980 1.00 42.31 ATOM 1285 HH22 ARG 81 5.477 -44.046 31.710 1.00 61.22 ATOM 1286 C ARG 81 5.873 -38.055 28.609 1.00 43.12 ATOM 1287 O ARG 81 4.961 -38.331 27.827 1.00 72.24 ATOM 1288 N GLU 82 5.692 -37.262 29.665 1.00 22.14 ATOM 1289 HN GLU 82 6.422 -37.156 30.314 1.00 38.33 ATOM 1290 CA GLU 82 4.421 -36.557 29.895 1.00 70.04 ATOM 1291 HA GLU 82 3.626 -37.287 29.812 1.00 13.34 ATOM 1292 CB GLU 82 4.387 -35.948 31.305 1.00 11.31 ATOM 1293 HB1 GLU 82 3.593 -35.214 31.350 1.00 38.33 ATOM 1294 HB2 GLU 82 5.330 -35.453 31.493 1.00 2.30 ATOM 1295 CG GLU 82 4.154 -36.968 32.419 1.00 73.24 ATOM 1296 HG1 GLU 82 4.241 -36.466 33.372 1.00 38.33 ATOM 1297 HG2 GLU 82 4.914 -37.736 32.351 1.00 52.33 ATOM 1298 CD GLU 82 2.781 -37.626 32.340 1.00 32.22 ATOM 1299 OE1 GLU 82 2.691 -38.800 31.898 1.00 32.04 ATOM 1300 OE2 GLU 82 1.780 -36.971 32.713 1.00 24.13 ATOM 1301 C GLU 82 4.189 -35.467 28.833 1.00 52.32 ATOM 1302 O GLU 82 3.062 -35.253 28.378 1.00 13.54 ATOM 1303 N PHE 83 5.260 -34.779 28.442 1.00 21.05 ATOM 1304 HN PHE 83 6.114 -34.915 28.912 1.00 38.33 ATOM 1305 CA PHE 83 5.197 -33.818 27.334 1.00 43.02 ATOM 1306 HA PHE 83 4.448 -33.077 27.578 1.00 73.31 ATOM 1307 CB PHE 83 6.557 -33.121 27.163 1.00 13.35 ATOM 1308 HB1 PHE 83 7.323 -33.872 27.027 1.00 38.33 ATOM 1309 HB2 PHE 83 6.778 -32.555 28.057 1.00 22.02 ATOM 1310 CG PHE 83 6.620 -32.174 25.989 1.00 24.20 ATOM 1311 CD1 PHE 83 7.316 -32.517 24.836 1.00 34.25 ATOM 1312 HD1 PHE 83 7.814 -33.473 24.781 1.00 11.23 ATOM 1313 CD2 PHE 83 5.987 -30.940 26.039 1.00 31.41 ATOM 1314 HD2 PHE 83 5.440 -30.659 26.929 1.00 62.32 ATOM 1315 CE1 PHE 83 7.379 -31.649 23.763 1.00 23.11 ATOM 1316 HE1 PHE 83 7.922 -31.929 22.872 1.00 74.53 ATOM 1317 CE2 PHE 83 6.048 -30.070 24.968 1.00 34.14 ATOM 1318 HE2 PHE 83 5.552 -29.113 25.020 1.00 1.21 ATOM 1319 CZ PHE 83 6.744 -30.424 23.829 1.00 35.14 ATOM 1320 HZ PHE 83 6.792 -29.744 22.992 1.00 12.13 ATOM 1321 C PHE 83 4.791 -34.529 26.030 1.00 50.54 ATOM 1322 O PHE 83 3.876 -34.100 25.321 1.00 40.25 ATOM 1323 N LEU 84 5.477 -35.632 25.738 1.00 51.41 ATOM 1324 HN LEU 84 6.217 -35.895 26.326 1.00 38.33 ATOM 1325 CA LEU 84 5.171 -36.465 24.568 1.00 3.53 ATOM 1326 HA LEU 84 5.233 -35.838 23.690 1.00 15.53 ATOM 1327 CB LEU 84 6.206 -37.595 24.450 1.00 33.51 ATOM 1328 HB1 LEU 84 5.969 -38.185 23.577 1.00 38.33 ATOM 1329 HB2 LEU 84 6.121 -38.227 25.325 1.00 33.24 ATOM 1330 CG LEU 84 7.666 -37.125 24.331 1.00 21.14 ATOM 1331 HG LEU 84 7.895 -36.479 25.168 1.00 1.22 ATOM 1332 CD1 LEU 84 8.623 -38.311 24.390 1.00 31.24 ATOM 1333 HD11 LEU 84 8.417 -38.984 23.570 1.00 33.00 ATOM 1334 HD12 LEU 84 8.492 -38.834 25.326 1.00 62.35 ATOM 1335 HD13 LEU 84 9.641 -37.956 24.317 1.00 44.32 ATOM 1336 CD2 LEU 84 7.872 -36.319 23.049 1.00 12.01 ATOM 1337 HD21 LEU 84 7.624 -36.930 22.192 1.00 63.32 ATOM 1338 HD22 LEU 84 8.904 -36.007 22.981 1.00 63.33 ATOM 1339 HD23 LEU 84 7.235 -35.446 23.065 1.00 52.51 ATOM 1340 C LEU 84 3.753 -37.049 24.662 1.00 51.13 ATOM 1341 O LEU 84 3.090 -37.273 23.647 1.00 11.41 ATOM 1342 N ARG 85 3.298 -37.287 25.893 1.00 34.52 ATOM 1343 HN ARG 85 3.899 -37.136 26.652 1.00 38.33 ATOM 1344 CA ARG 85 1.938 -37.772 26.154 1.00 11.31 ATOM 1345 HA ARG 85 1.827 -38.740 25.686 1.00 30.35 ATOM 1346 CB ARG 85 1.709 -37.906 27.670 1.00 41.32 ATOM 1347 HB1 ARG 85 1.656 -36.915 28.101 1.00 38.33 ATOM 1348 HB2 ARG 85 2.555 -38.423 28.102 1.00 3.53 ATOM 1349 CG ARG 85 0.435 -38.663 28.054 1.00 34.32 ATOM 1350 HG1 ARG 85 -0.284 -38.575 27.252 1.00 38.33 ATOM 1351 HG2 ARG 85 0.023 -38.227 28.954 1.00 14.52 ATOM 1352 CD ARG 85 0.713 -40.140 28.309 1.00 71.45 ATOM 1353 HD1 ARG 85 1.175 -40.567 27.429 1.00 38.33 ATOM 1354 HD2 ARG 85 -0.225 -40.643 28.503 1.00 25.21 ATOM 1355 NE ARG 85 1.600 -40.327 29.458 1.00 53.35 ATOM 1356 HE ARG 85 1.753 -39.555 30.040 1.00 11.32 ATOM 1357 CZ ARG 85 2.180 -41.452 29.770 1.00 13.12 ATOM 1358 NH1 ARG 85 2.049 -42.501 29.023 1.00 10.32 ATOM 1359 HH11 ARG 85 1.500 -42.458 28.191 1.00 52.25 ATOM 1360 HH12 ARG 85 2.497 -43.354 29.283 1.00 3.34 ATOM 1361 NH2 ARG 85 2.913 -41.516 30.832 1.00 11.40 ATOM 1362 HH21 ARG 85 3.032 -40.703 31.401 1.00 62.42 ATOM 1363 HH22 ARG 85 3.352 -42.377 31.087 1.00 53.34 ATOM 1364 C ARG 85 0.898 -36.804 25.571 1.00 1.31 ATOM 1365 O ARG 85 0.093 -37.171 24.717 1.00 60.02 ATOM 1366 N GLY 86 0.940 -35.556 26.035 1.00 75.43 ATOM 1367 HN GLY 86 1.633 -35.312 26.690 1.00 38.33 ATOM 1368 CA GLY 86 -0.022 -34.554 25.591 1.00 43.01 ATOM 1369 HA1 GLY 86 0.137 -33.650 26.159 1.00 38.33 ATOM 1370 HA2 GLY 86 -1.018 -34.917 25.796 1.00 73.40 ATOM 1371 C GLY 86 0.083 -34.221 24.108 1.00 13.20 ATOM 1372 O GLY 86 -0.920 -34.238 23.388 1.00 64.12 ATOM 1373 N CYS 87 1.296 -33.918 23.646 1.00 41.42 ATOM 1374 HN CYS 87 2.053 -33.890 24.275 1.00 38.33 ATOM 1375 CA CYS 87 1.532 -33.608 22.228 1.00 45.45 ATOM 1376 HA CYS 87 0.963 -32.721 21.989 1.00 73.32 ATOM 1377 CB CYS 87 3.019 -33.322 21.984 1.00 1.03 ATOM 1378 HB1 CYS 87 3.176 -33.137 20.930 1.00 38.33 ATOM 1379 HB2 CYS 87 3.599 -34.183 22.282 1.00 73.12 ATOM 1380 SG CYS 87 3.655 -31.893 22.893 1.00 62.41 ATOM 1381 HG CYS 87 4.919 -31.713 22.538 1.00 72.33 ATOM 1382 C CYS 87 1.067 -34.754 21.315 1.00 44.33 ATOM 1383 O CYS 87 0.599 -34.527 20.200 1.00 73.21 ATOM 1384 N GLY 88 1.197 -35.983 21.807 1.00 21.42 ATOM 1385 HN GLY 88 1.591 -36.097 22.695 1.00 38.33 ATOM 1386 CA GLY 88 0.783 -37.159 21.047 1.00 22.25 ATOM 1387 HA1 GLY 88 1.389 -37.997 21.363 1.00 38.33 ATOM 1388 HA2 GLY 88 0.968 -36.980 19.998 1.00 54.53 ATOM 1389 C GLY 88 -0.693 -37.528 21.228 1.00 25.31 ATOM 1390 O GLY 88 -1.281 -38.166 20.362 1.00 73.10 ATOM 1391 N ALA 89 -1.292 -37.147 22.359 1.00 11.52 ATOM 1392 HN ALA 89 -0.769 -36.662 23.032 1.00 38.33 ATOM 1393 CA ALA 89 -2.708 -37.461 22.636 1.00 4.41 ATOM 1394 HA ALA 89 -2.959 -38.357 22.081 1.00 75.24 ATOM 1395 CB ALA 89 -2.899 -37.767 24.118 1.00 21.53 ATOM 1396 HB1 ALA 89 -2.211 -38.544 24.419 1.00 25.35 ATOM 1397 HB2 ALA 89 -3.913 -38.100 24.291 1.00 21.24 ATOM 1398 HB3 ALA 89 -2.711 -36.875 24.698 1.00 4.44 ATOM 1399 C ALA 89 -3.664 -36.333 22.202 1.00 75.32 ATOM 1400 O ALA 89 -4.574 -36.544 21.397 1.00 21.24 ATOM 1401 N SER 90 -3.462 -35.138 22.759 1.00 2.13 ATOM 1402 HN SER 90 -2.703 -35.025 23.368 1.00 38.33 ATOM 1403 CA SER 90 -4.339 -33.982 22.488 1.00 42.01 ATOM 1404 HA SER 90 -5.363 -34.314 22.585 1.00 55.15 ATOM 1405 CB SER 90 -4.082 -32.864 23.514 1.00 50.41 ATOM 1406 HB1 SER 90 -3.060 -32.527 23.428 1.00 38.33 ATOM 1407 HB2 SER 90 -4.248 -33.245 24.510 1.00 41.04 ATOM 1408 OG SER 90 -4.944 -31.755 23.310 1.00 5.54 ATOM 1409 HG SER 90 -5.145 -31.347 24.166 1.00 21.42 ATOM 1410 C SER 90 -4.132 -33.432 21.069 1.00 62.33 ATOM 1411 O SER 90 -5.092 -33.109 20.363 1.00 72.13 ATOM 1412 N LEU 91 -2.872 -33.326 20.660 1.00 71.21 ATOM 1413 HN LEU 91 -2.155 -33.622 21.260 1.00 38.33 ATOM 1414 CA LEU 91 -2.519 -32.770 19.347 1.00 21.31 ATOM 1415 HA LEU 91 -3.357 -32.183 18.997 1.00 43.41 ATOM 1416 CB LEU 91 -1.304 -31.846 19.499 1.00 41.23 ATOM 1417 HB1 LEU 91 -0.960 -31.566 18.514 1.00 38.33 ATOM 1418 HB2 LEU 91 -0.516 -32.402 19.991 1.00 74.33 ATOM 1419 CG LEU 91 -1.564 -30.560 20.301 1.00 52.32 ATOM 1420 HG LEU 91 -2.103 -30.807 21.206 1.00 73.12 ATOM 1421 CD1 LEU 91 -0.252 -29.898 20.704 1.00 20.04 ATOM 1422 HD11 LEU 91 -0.458 -29.000 21.270 1.00 32.31 ATOM 1423 HD12 LEU 91 0.312 -29.642 19.818 1.00 33.15 ATOM 1424 HD13 LEU 91 0.325 -30.580 21.312 1.00 60.32 ATOM 1425 CD2 LEU 91 -2.424 -29.593 19.488 1.00 43.32 ATOM 1426 HD21 LEU 91 -2.634 -28.713 20.078 1.00 21.33 ATOM 1427 HD22 LEU 91 -3.352 -30.073 19.215 1.00 64.22 ATOM 1428 HD23 LEU 91 -1.891 -29.304 18.590 1.00 2.24 ATOM 1429 C LEU 91 -2.225 -33.868 18.310 1.00 51.10 ATOM 1430 O LEU 91 -2.554 -33.720 17.130 1.00 35.03 ATOM 1431 N ARG 92 -1.599 -34.959 18.759 1.00 1.44 ATOM 1432 HN ARG 92 -1.374 -35.012 19.709 1.00 38.33 ATOM 1433 CA ARG 92 -1.221 -36.080 17.881 1.00 42.31 ATOM 1434 HA ARG 92 -0.666 -36.784 18.488 1.00 1.22 ATOM 1435 CB ARG 92 -2.474 -36.790 17.334 1.00 61.02 ATOM 1436 HB1 ARG 92 -2.166 -37.661 16.773 1.00 38.33 ATOM 1437 HB2 ARG 92 -3.003 -36.113 16.676 1.00 30.34 ATOM 1438 CG ARG 92 -3.427 -37.239 18.440 1.00 41.41 ATOM 1439 HG1 ARG 92 -3.892 -36.362 18.871 1.00 38.33 ATOM 1440 HG2 ARG 92 -2.856 -37.746 19.203 1.00 35.35 ATOM 1441 CD ARG 92 -4.519 -38.185 17.949 1.00 72.51 ATOM 1442 HD1 ARG 92 -4.059 -39.094 17.588 1.00 38.33 ATOM 1443 HD2 ARG 92 -5.062 -37.709 17.145 1.00 64.32 ATOM 1444 NE ARG 92 -5.455 -38.515 19.028 1.00 13.24 ATOM 1445 HE ARG 92 -5.626 -37.821 19.696 1.00 62.50 ATOM 1446 CZ ARG 92 -6.072 -39.660 19.163 1.00 10.31 ATOM 1447 NH1 ARG 92 -5.899 -40.615 18.308 1.00 71.24 ATOM 1448 HH11 ARG 92 -5.288 -40.483 17.531 1.00 30.20 ATOM 1449 HH12 ARG 92 -6.381 -41.482 18.423 1.00 11.23 ATOM 1450 NH2 ARG 92 -6.873 -39.843 20.164 1.00 65.24 ATOM 1451 HH21 ARG 92 -7.017 -39.109 20.826 1.00 3.35 ATOM 1452 HH22 ARG 92 -7.343 -40.718 20.277 1.00 61.30 ATOM 1453 C ARG 92 -0.301 -35.608 16.742 1.00 15.52 ATOM 1454 O ARG 92 -0.525 -35.907 15.568 1.00 73.11 ATOM 1455 N LEU 93 0.745 -34.867 17.112 1.00 21.42 ATOM 1456 HN LEU 93 0.879 -34.692 18.066 1.00 38.33 ATOM 1457 CA LEU 93 1.706 -34.313 16.146 1.00 52.42 ATOM 1458 HA LEU 93 1.262 -34.390 15.163 1.00 74.54 ATOM 1459 CB LEU 93 1.954 -32.820 16.457 1.00 50.43 ATOM 1460 HB1 LEU 93 1.040 -32.282 16.244 1.00 38.33 ATOM 1461 HB2 LEU 93 2.721 -32.459 15.785 1.00 54.11 ATOM 1462 CG LEU 93 2.381 -32.485 17.906 1.00 72.13 ATOM 1463 HG LEU 93 1.851 -33.139 18.584 1.00 14.43 ATOM 1464 CD1 LEU 93 3.874 -32.714 18.126 1.00 74.53 ATOM 1465 HD11 LEU 93 4.111 -33.755 17.963 1.00 71.15 ATOM 1466 HD12 LEU 93 4.134 -32.440 19.138 1.00 44.12 ATOM 1467 HD13 LEU 93 4.437 -32.103 17.434 1.00 42.42 ATOM 1468 CD2 LEU 93 2.010 -31.051 18.266 1.00 22.13 ATOM 1469 HD21 LEU 93 0.947 -30.911 18.134 1.00 50.42 ATOM 1470 HD22 LEU 93 2.548 -30.366 17.628 1.00 60.15 ATOM 1471 HD23 LEU 93 2.269 -30.864 19.299 1.00 71.44 ATOM 1472 C LEU 93 3.030 -35.100 16.137 1.00 34.14 ATOM 1473 O LEU 93 3.209 -36.042 16.909 1.00 23.42 ATOM 1474 N GLU 94 3.955 -34.705 15.259 1.00 15.05 ATOM 1475 HN GLU 94 3.749 -33.962 14.656 1.00 38.33 ATOM 1476 CA GLU 94 5.269 -35.361 15.160 1.00 71.35 ATOM 1477 HA GLU 94 5.088 -36.408 14.959 1.00 75.30 ATOM 1478 CB GLU 94 6.071 -34.771 13.985 1.00 13.22 ATOM 1479 HB1 GLU 94 5.544 -34.988 13.066 1.00 38.33 ATOM 1480 HB2 GLU 94 7.039 -35.251 13.950 1.00 2.41 ATOM 1481 CG GLU 94 6.290 -33.262 14.062 1.00 41.22 ATOM 1482 HG1 GLU 94 6.933 -33.048 14.905 1.00 38.33 ATOM 1483 HG2 GLU 94 5.333 -32.781 14.214 1.00 5.33 ATOM 1484 CD GLU 94 6.931 -32.694 12.803 1.00 4.10 ATOM 1485 OE1 GLU 94 6.242 -31.969 12.053 1.00 74.44 ATOM 1486 OE2 GLU 94 8.120 -32.977 12.549 1.00 12.23 ATOM 1487 C GLU 94 6.061 -35.252 16.481 1.00 52.30 ATOM 1488 O GLU 94 6.428 -34.161 16.924 1.00 30.45 ATOM 1489 N THR 95 6.316 -36.400 17.110 1.00 63.32 ATOM 1490 HN THR 95 6.066 -37.241 16.674 1.00 38.33 ATOM 1491 CA THR 95 6.963 -36.445 18.431 1.00 15.31 ATOM 1492 HA THR 95 7.052 -35.431 18.798 1.00 63.52 ATOM 1493 CB THR 95 6.115 -37.250 19.449 1.00 24.45 ATOM 1494 HB THR 95 6.645 -37.275 20.393 1.00 42.55 ATOM 1495 OG1 THR 95 5.932 -38.599 18.985 1.00 25.25 ATOM 1496 HG1 THR 95 5.375 -38.593 18.194 1.00 62.44 ATOM 1497 CG2 THR 95 4.754 -36.597 19.679 1.00 63.35 ATOM 1498 HG21 THR 95 4.892 -35.604 20.082 1.00 31.21 ATOM 1499 HG22 THR 95 4.181 -37.192 20.378 1.00 73.20 ATOM 1500 HG23 THR 95 4.221 -36.533 18.742 1.00 35.13 ATOM 1501 C THR 95 8.362 -37.075 18.379 1.00 3.40 ATOM 1502 O THR 95 8.691 -37.835 17.466 1.00 5.43 ATOM 1503 N PHE 96 9.179 -36.751 19.379 1.00 11.31 ATOM 1504 HN PHE 96 8.888 -36.072 20.022 1.00 38.33 ATOM 1505 CA PHE 96 10.498 -37.373 19.558 1.00 22.41 ATOM 1506 HA PHE 96 10.741 -37.916 18.652 1.00 20.25 ATOM 1507 CB PHE 96 11.568 -36.293 19.795 1.00 60.32 ATOM 1508 HB1 PHE 96 11.623 -35.656 18.923 1.00 38.33 ATOM 1509 HB2 PHE 96 12.527 -36.771 19.938 1.00 1.21 ATOM 1510 CG PHE 96 11.302 -35.413 20.998 1.00 64.50 ATOM 1511 CD1 PHE 96 10.455 -34.315 20.900 1.00 2.45 ATOM 1512 HD1 PHE 96 9.980 -34.094 19.954 1.00 73.05 ATOM 1513 CD2 PHE 96 11.902 -35.680 22.223 1.00 22.30 ATOM 1514 HD2 PHE 96 12.562 -36.530 22.316 1.00 70.20 ATOM 1515 CE1 PHE 96 10.213 -33.507 21.996 1.00 62.34 ATOM 1516 HE1 PHE 96 9.553 -32.657 21.904 1.00 21.13 ATOM 1517 CE2 PHE 96 11.661 -34.875 23.320 1.00 11.53 ATOM 1518 HE2 PHE 96 12.134 -35.095 24.267 1.00 23.44 ATOM 1519 CZ PHE 96 10.817 -33.786 23.207 1.00 4.12 ATOM 1520 HZ PHE 96 10.630 -33.155 24.064 1.00 44.23 ATOM 1521 C PHE 96 10.468 -38.365 20.734 1.00 24.24 ATOM 1522 O PHE 96 9.426 -38.561 21.361 1.00 12.41 ATOM 1523 N ASP 97 11.597 -39.008 21.016 1.00 13.32 ATOM 1524 HN ASP 97 12.377 -38.893 20.431 1.00 38.33 ATOM 1525 CA ASP 97 11.706 -39.893 22.180 1.00 44.43 ATOM 1526 HA ASP 97 10.710 -40.050 22.572 1.00 62.10 ATOM 1527 CB ASP 97 12.293 -41.245 21.761 1.00 61.43 ATOM 1528 HB1 ASP 97 13.304 -41.098 21.405 1.00 38.33 ATOM 1529 HB2 ASP 97 11.695 -41.656 20.959 1.00 23.14 ATOM 1530 CG ASP 97 12.321 -42.246 22.901 1.00 20.33 ATOM 1531 OD1 ASP 97 13.337 -42.307 23.621 1.00 23.24 ATOM 1532 OD2 ASP 97 11.323 -42.970 23.089 1.00 61.04 ATOM 1533 C ASP 97 12.569 -39.242 23.277 1.00 31.44 ATOM 1534 O ASP 97 13.451 -38.429 22.986 1.00 3.32 ATOM 1535 N ALA 98 12.310 -39.603 24.533 1.00 55.01 ATOM 1536 HN ALA 98 11.618 -40.277 24.699 1.00 38.33 ATOM 1537 CA ALA 98 13.032 -39.027 25.675 1.00 72.14 ATOM 1538 HA ALA 98 12.776 -37.977 25.727 1.00 72.04 ATOM 1539 CB ALA 98 12.567 -39.683 26.971 1.00 41.42 ATOM 1540 HB1 ALA 98 13.039 -39.196 27.814 1.00 5.03 ATOM 1541 HB2 ALA 98 12.837 -40.729 26.965 1.00 23.44 ATOM 1542 HB3 ALA 98 11.494 -39.589 27.057 1.00 45.42 ATOM 1543 C ALA 98 14.559 -39.153 25.526 1.00 2.42 ATOM 1544 O ALA 98 15.306 -38.249 25.907 1.00 22.31 ATOM 1545 N ASN 99 15.016 -40.269 24.957 1.00 71.33 ATOM 1546 HN ASN 99 14.372 -40.954 24.667 1.00 38.33 ATOM 1547 CA ASN 99 16.452 -40.506 24.750 1.00 44.42 ATOM 1548 HA ASN 99 16.940 -40.379 25.706 1.00 65.21 ATOM 1549 CB ASN 99 16.684 -41.945 24.268 1.00 44.32 ATOM 1550 HB1 ASN 99 17.707 -42.049 23.931 1.00 38.33 ATOM 1551 HB2 ASN 99 16.018 -42.156 23.445 1.00 42.33 ATOM 1552 CG ASN 99 16.434 -42.968 25.368 1.00 31.32 ATOM 1553 OD1 ASN 99 15.303 -43.369 25.621 1.00 74.32 ATOM 1554 ND2 ASN 99 17.490 -43.411 26.021 1.00 20.34 ATOM 1555 HD21 ASN 99 18.372 -43.065 25.769 1.00 60.32 ATOM 1556 HD22 ASN 99 17.350 -44.077 26.723 1.00 33.21 ATOM 1557 C ASN 99 17.065 -39.498 23.758 1.00 41.25 ATOM 1558 O ASN 99 18.201 -39.050 23.945 1.00 75.23 ATOM 1559 N ASP 100 16.305 -39.127 22.720 1.00 61.15 ATOM 1560 HN ASP 100 15.402 -39.501 22.632 1.00 38.33 ATOM 1561 CA ASP 100 16.781 -38.158 21.719 1.00 33.13 ATOM 1562 HA ASP 100 17.642 -38.588 21.226 1.00 1.04 ATOM 1563 CB ASP 100 15.693 -37.880 20.667 1.00 55.03 ATOM 1564 HB1 ASP 100 16.011 -37.060 20.036 1.00 38.33 ATOM 1565 HB2 ASP 100 14.780 -37.598 21.173 1.00 74.55 ATOM 1566 CG ASP 100 15.402 -39.078 19.779 1.00 41.02 ATOM 1567 OD1 ASP 100 16.321 -39.530 19.070 1.00 3.41 ATOM 1568 OD2 ASP 100 14.248 -39.556 19.756 1.00 1.43 ATOM 1569 C ASP 100 17.202 -36.836 22.379 1.00 51.23 ATOM 1570 O ASP 100 18.302 -36.327 22.142 1.00 43.15 ATOM 1571 N LEU 101 16.320 -36.297 23.216 1.00 74.43 ATOM 1572 HN LEU 101 15.486 -36.783 23.398 1.00 38.33 ATOM 1573 CA LEU 101 16.555 -35.009 23.879 1.00 63.02 ATOM 1574 HA LEU 101 16.998 -34.341 23.155 1.00 24.44 ATOM 1575 CB LEU 101 15.221 -34.412 24.349 1.00 51.34 ATOM 1576 HB1 LEU 101 14.718 -35.150 24.958 1.00 38.33 ATOM 1577 HB2 LEU 101 14.612 -34.220 23.476 1.00 34.25 ATOM 1578 CG LEU 101 15.324 -33.110 25.164 1.00 0.51 ATOM 1579 HG LEU 101 15.921 -33.297 26.047 1.00 61.41 ATOM 1580 CD1 LEU 101 16.013 -32.007 24.363 1.00 24.01 ATOM 1581 HD11 LEU 101 15.465 -31.825 23.451 1.00 11.32 ATOM 1582 HD12 LEU 101 17.021 -32.312 24.122 1.00 14.42 ATOM 1583 HD13 LEU 101 16.044 -31.101 24.951 1.00 52.04 ATOM 1584 CD2 LEU 101 13.942 -32.660 25.623 1.00 13.54 ATOM 1585 HD21 LEU 101 14.031 -31.743 26.187 1.00 15.41 ATOM 1586 HD22 LEU 101 13.502 -33.423 26.247 1.00 31.02 ATOM 1587 HD23 LEU 101 13.311 -32.492 24.761 1.00 24.11 ATOM 1588 C LEU 101 17.506 -35.138 25.078 1.00 73.12 ATOM 1589 O LEU 101 18.502 -34.419 25.172 1.00 71.34 ATOM 1590 N TYR 102 17.200 -36.065 25.983 1.00 13.34 ATOM 1591 HN TYR 102 16.440 -36.663 25.814 1.00 38.33 ATOM 1592 CA TYR 102 17.960 -36.218 27.231 1.00 72.24 ATOM 1593 HA TYR 102 17.844 -35.303 27.794 1.00 42.12 ATOM 1594 CB TYR 102 17.388 -37.377 28.058 1.00 20.11 ATOM 1595 HB1 TYR 102 17.556 -38.305 27.530 1.00 38.33 ATOM 1596 HB2 TYR 102 16.323 -37.230 28.179 1.00 22.20 ATOM 1597 CG TYR 102 18.000 -37.504 29.443 1.00 44.01 ATOM 1598 CD1 TYR 102 17.614 -36.650 30.472 1.00 44.23 ATOM 1599 HD1 TYR 102 16.870 -35.893 30.273 1.00 71.53 ATOM 1600 CD2 TYR 102 18.962 -38.471 29.722 1.00 14.11 ATOM 1601 HD2 TYR 102 19.275 -39.144 28.935 1.00 5.02 ATOM 1602 CE1 TYR 102 18.164 -36.757 31.734 1.00 12.00 ATOM 1603 HE1 TYR 102 17.850 -36.084 32.518 1.00 12.23 ATOM 1604 CE2 TYR 102 19.516 -38.582 30.982 1.00 71.44 ATOM 1605 HE2 TYR 102 20.263 -39.339 31.178 1.00 75.43 ATOM 1606 CZ TYR 102 19.115 -37.722 31.985 1.00 75.22 ATOM 1607 OH TYR 102 19.661 -37.832 33.244 1.00 31.33 ATOM 1608 HH TYR 102 18.968 -37.722 33.904 1.00 73.24 ATOM 1609 C TYR 102 19.459 -36.444 26.972 1.00 32.40 ATOM 1610 O TYR 102 20.310 -35.880 27.661 1.00 43.51 ATOM 1611 N GLN 103 19.778 -37.270 25.976 1.00 14.20 ATOM 1612 HN GLN 103 19.060 -37.705 25.465 1.00 38.33 ATOM 1613 CA GLN 103 21.178 -37.547 25.624 1.00 61.22 ATOM 1614 HA GLN 103 21.772 -37.415 26.519 1.00 60.34 ATOM 1615 CB GLN 103 21.333 -38.999 25.147 1.00 0.14 ATOM 1616 HB1 GLN 103 22.350 -39.148 24.811 1.00 38.33 ATOM 1617 HB2 GLN 103 20.664 -39.165 24.314 1.00 2.45 ATOM 1618 CG GLN 103 21.028 -40.041 26.222 1.00 32.43 ATOM 1619 HG1 GLN 103 21.184 -41.027 25.804 1.00 38.33 ATOM 1620 HG2 GLN 103 19.995 -39.940 26.519 1.00 12.22 ATOM 1621 CD GLN 103 21.904 -39.896 27.459 1.00 63.15 ATOM 1622 OE1 GLN 103 23.032 -39.417 27.390 1.00 35.45 ATOM 1623 NE2 GLN 103 21.405 -40.328 28.598 1.00 64.20 ATOM 1624 HE21 GLN 103 20.506 -40.722 28.592 1.00 73.30 ATOM 1625 HE22 GLN 103 21.952 -40.238 29.405 1.00 11.54 ATOM 1626 C GLN 103 21.704 -36.579 24.552 1.00 25.30 ATOM 1627 O GLN 103 22.874 -36.635 24.178 1.00 72.03 ATOM 1628 N GLY 104 20.835 -35.695 24.060 1.00 33.51 ATOM 1629 HN GLY 104 19.910 -35.708 24.380 1.00 38.33 ATOM 1630 CA GLY 104 21.242 -34.700 23.068 1.00 60.10 ATOM 1631 HA1 GLY 104 22.056 -34.117 23.475 1.00 38.33 ATOM 1632 HA2 GLY 104 20.407 -34.041 22.882 1.00 35.24 ATOM 1633 C GLY 104 21.689 -35.302 21.737 1.00 42.54 ATOM 1634 O GLY 104 22.468 -34.690 21.003 1.00 2.21 ATOM 1635 N GLN 105 21.183 -36.491 21.419 1.00 71.13 ATOM 1636 HN GLN 105 20.545 -36.912 22.032 1.00 38.33 ATOM 1637 CA GLN 105 21.548 -37.187 20.179 1.00 51.42 ATOM 1638 HA GLN 105 22.623 -37.127 20.071 1.00 44.14 ATOM 1639 CB GLN 105 21.140 -38.665 20.259 1.00 40.33 ATOM 1640 HB1 GLN 105 21.350 -39.138 19.310 1.00 38.33 ATOM 1641 HB2 GLN 105 20.076 -38.723 20.448 1.00 15.43 ATOM 1642 CG GLN 105 21.860 -39.449 21.353 1.00 11.45 ATOM 1643 HG1 GLN 105 21.478 -40.461 21.361 1.00 38.33 ATOM 1644 HG2 GLN 105 21.655 -38.983 22.307 1.00 53.33 ATOM 1645 CD GLN 105 23.368 -39.496 21.149 1.00 45.13 ATOM 1646 OE1 GLN 105 24.105 -38.643 21.637 1.00 51.44 ATOM 1647 NE2 GLN 105 23.837 -40.486 20.415 1.00 53.32 ATOM 1648 HE21 GLN 105 23.201 -41.128 20.041 1.00 72.53 ATOM 1649 HE22 GLN 105 24.807 -40.538 20.279 1.00 44.42 ATOM 1650 C GLN 105 20.895 -36.529 18.955 1.00 43.21 ATOM 1651 O GLN 105 21.580 -36.067 18.039 1.00 41.54 ATOM 1652 N ASN 106 19.567 -36.490 18.946 1.00 50.11 ATOM 1653 HN ASN 106 19.076 -36.873 19.703 1.00 38.33 ATOM 1654 CA ASN 106 18.815 -35.882 17.843 1.00 13.13 ATOM 1655 HA ASN 106 19.521 -35.584 17.080 1.00 21.23 ATOM 1656 CB ASN 106 17.835 -36.894 17.239 1.00 70.35 ATOM 1657 HB1 ASN 106 17.217 -36.391 16.506 1.00 38.33 ATOM 1658 HB2 ASN 106 17.203 -37.283 18.023 1.00 61.13 ATOM 1659 CG ASN 106 18.519 -38.063 16.558 1.00 31.24 ATOM 1660 OD1 ASN 106 19.609 -37.937 16.004 1.00 44.13 ATOM 1661 ND2 ASN 106 17.883 -39.214 16.596 1.00 32.54 ATOM 1662 HD21 ASN 106 17.021 -39.250 17.060 1.00 1.54 ATOM 1663 HD22 ASN 106 18.286 -39.981 16.149 1.00 55.02 ATOM 1664 C ASN 106 18.045 -34.639 18.304 1.00 21.13 ATOM 1665 O ASN 106 16.866 -34.723 18.660 1.00 44.12 ATOM 1666 N PHE 107 18.710 -33.486 18.303 1.00 64.14 ATOM 1667 HN PHE 107 19.657 -33.475 18.046 1.00 38.33 ATOM 1668 CA PHE 107 18.052 -32.232 18.675 1.00 23.31 ATOM 1669 HA PHE 107 17.460 -32.423 19.561 1.00 2.33 ATOM 1670 CB PHE 107 19.083 -31.140 18.995 1.00 2.32 ATOM 1671 HB1 PHE 107 19.668 -30.933 18.110 1.00 38.33 ATOM 1672 HB2 PHE 107 19.739 -31.492 19.779 1.00 22.55 ATOM 1673 CG PHE 107 18.457 -29.847 19.459 1.00 74.41 ATOM 1674 CD1 PHE 107 17.918 -29.743 20.734 1.00 45.43 ATOM 1675 HD1 PHE 107 17.960 -30.593 21.399 1.00 4.24 ATOM 1676 CD2 PHE 107 18.394 -28.743 18.619 1.00 10.43 ATOM 1677 HD2 PHE 107 18.811 -28.808 17.624 1.00 22.33 ATOM 1678 CE1 PHE 107 17.331 -28.567 21.160 1.00 64.51 ATOM 1679 HE1 PHE 107 16.916 -28.501 22.156 1.00 35.02 ATOM 1680 CE2 PHE 107 17.809 -27.566 19.043 1.00 64.10 ATOM 1681 HE2 PHE 107 17.766 -26.715 18.380 1.00 14.13 ATOM 1682 CZ PHE 107 17.276 -27.479 20.314 1.00 43.24 ATOM 1683 HZ PHE 107 16.816 -26.558 20.645 1.00 52.31 ATOM 1684 C PHE 107 17.111 -31.763 17.555 1.00 24.21 ATOM 1685 O PHE 107 16.111 -31.100 17.813 1.00 33.43 ATOM 1686 N ASN 108 17.436 -32.124 16.314 1.00 22.23 ATOM 1687 HN ASN 108 18.270 -32.622 16.169 1.00 38.33 ATOM 1688 CA ASN 108 16.595 -31.793 15.158 1.00 25.53 ATOM 1689 HA ASN 108 16.547 -30.714 15.091 1.00 53.35 ATOM 1690 CB ASN 108 17.221 -32.339 13.865 1.00 2.32 ATOM 1691 HB1 ASN 108 18.176 -31.858 13.708 1.00 38.33 ATOM 1692 HB2 ASN 108 16.569 -32.108 13.033 1.00 22.43 ATOM 1693 CG ASN 108 17.441 -33.844 13.900 1.00 32.40 ATOM 1694 OD1 ASN 108 17.684 -34.427 14.952 1.00 51.31 ATOM 1695 ND2 ASN 108 17.347 -34.488 12.755 1.00 51.50 ATOM 1696 HD21 ASN 108 17.138 -33.974 11.944 1.00 22.41 ATOM 1697 HD22 ASN 108 17.483 -35.456 12.762 1.00 11.33 ATOM 1698 C ASN 108 15.165 -32.334 15.328 1.00 22.01 ATOM 1699 O ASN 108 14.194 -31.655 14.994 1.00 54.41 ATOM 1700 N LYS 109 15.042 -33.557 15.851 1.00 35.44 ATOM 1701 HN LYS 109 15.853 -34.074 16.043 1.00 38.33 ATOM 1702 CA LYS 109 13.725 -34.151 16.130 1.00 53.35 ATOM 1703 HA LYS 109 13.163 -34.157 15.206 1.00 10.10 ATOM 1704 CB LYS 109 13.878 -35.595 16.631 1.00 43.10 ATOM 1705 HB1 LYS 109 12.898 -35.983 16.873 1.00 38.33 ATOM 1706 HB2 LYS 109 14.480 -35.588 17.530 1.00 63.25 ATOM 1707 CG LYS 109 14.531 -36.541 15.625 1.00 11.21 ATOM 1708 HG1 LYS 109 15.513 -36.163 15.377 1.00 38.33 ATOM 1709 HG2 LYS 109 13.923 -36.576 14.733 1.00 42.41 ATOM 1710 CD LYS 109 14.670 -37.958 16.184 1.00 61.21 ATOM 1711 HD1 LYS 109 15.228 -37.916 17.109 1.00 38.33 ATOM 1712 HD2 LYS 109 15.208 -38.564 15.469 1.00 14.43 ATOM 1713 CE LYS 109 13.317 -38.604 16.453 1.00 31.23 ATOM 1714 HE1 LYS 109 12.792 -38.709 15.516 1.00 38.33 ATOM 1715 HE2 LYS 109 12.750 -37.966 17.114 1.00 30.03 ATOM 1716 NZ LYS 109 13.453 -39.944 17.082 1.00 1.52 ATOM 1717 HZ1 LYS 109 13.952 -39.865 17.992 1.00 42.04 ATOM 1718 HZ2 LYS 109 13.995 -40.579 16.460 1.00 21.40 ATOM 1719 HZ3 LYS 109 12.515 -40.359 17.250 1.00 25.15 ATOM 1720 C LYS 109 12.955 -33.327 17.174 1.00 42.43 ATOM 1721 O LYS 109 11.780 -33.006 16.987 1.00 42.43 ATOM 1722 N VAL 110 13.632 -32.994 18.272 1.00 60.31 ATOM 1723 HN VAL 110 14.563 -33.287 18.360 1.00 38.33 ATOM 1724 CA VAL 110 13.031 -32.199 19.350 1.00 30.00 ATOM 1725 HA VAL 110 12.156 -32.726 19.709 1.00 1.33 ATOM 1726 CB VAL 110 14.019 -32.025 20.531 1.00 44.33 ATOM 1727 HB VAL 110 14.844 -31.411 20.189 1.00 31.00 ATOM 1728 CG1 VAL 110 13.352 -31.302 21.704 1.00 13.02 ATOM 1729 HG11 VAL 110 12.984 -30.341 21.375 1.00 14.51 ATOM 1730 HG12 VAL 110 14.073 -31.155 22.495 1.00 22.32 ATOM 1731 HG13 VAL 110 12.528 -31.895 22.076 1.00 63.03 ATOM 1732 CG2 VAL 110 14.587 -33.375 20.964 1.00 43.31 ATOM 1733 HG21 VAL 110 13.783 -34.019 21.292 1.00 21.14 ATOM 1734 HG22 VAL 110 15.284 -33.230 21.777 1.00 23.12 ATOM 1735 HG23 VAL 110 15.099 -33.835 20.131 1.00 60.15 ATOM 1736 C VAL 110 12.612 -30.812 18.849 1.00 33.33 ATOM 1737 O VAL 110 11.460 -30.403 18.995 1.00 43.52 ATOM 1738 N LEU 111 13.565 -30.107 18.247 1.00 53.31 ATOM 1739 HN LEU 111 14.452 -30.505 18.158 1.00 38.33 ATOM 1740 CA LEU 111 13.345 -28.762 17.715 1.00 53.04 ATOM 1741 HA LEU 111 13.118 -28.110 18.547 1.00 14.42 ATOM 1742 CB LEU 111 14.629 -28.271 17.031 1.00 2.44 ATOM 1743 HB1 LEU 111 14.786 -28.868 16.143 1.00 38.33 ATOM 1744 HB2 LEU 111 15.455 -28.445 17.706 1.00 14.51 ATOM 1745 CG LEU 111 14.646 -26.790 16.623 1.00 0.21 ATOM 1746 HG LEU 111 13.820 -26.598 15.955 1.00 23.12 ATOM 1747 CD1 LEU 111 14.479 -25.890 17.845 1.00 64.24 ATOM 1748 HD11 LEU 111 15.299 -26.055 18.532 1.00 33.41 ATOM 1749 HD12 LEU 111 13.546 -26.119 18.338 1.00 13.53 ATOM 1750 HD13 LEU 111 14.475 -24.856 17.533 1.00 63.41 ATOM 1751 CD2 LEU 111 15.940 -26.461 15.880 1.00 1.35 ATOM 1752 HD21 LEU 111 15.946 -25.415 15.611 1.00 45.42 ATOM 1753 HD22 LEU 111 16.006 -27.061 14.985 1.00 1.01 ATOM 1754 HD23 LEU 111 16.789 -26.672 16.517 1.00 24.33 ATOM 1755 C LEU 111 12.166 -28.738 16.727 1.00 64.30 ATOM 1756 O LEU 111 11.303 -27.865 16.800 1.00 14.03 ATOM 1757 N SER 112 12.131 -29.710 15.813 1.00 60.54 ATOM 1758 HN SER 112 12.870 -30.354 15.774 1.00 38.33 ATOM 1759 CA SER 112 11.017 -29.836 14.858 1.00 73.03 ATOM 1760 HA SER 112 10.988 -28.928 14.271 1.00 60.03 ATOM 1761 CB SER 112 11.235 -31.028 13.912 1.00 1.14 ATOM 1762 HB1 SER 112 10.365 -31.152 13.284 1.00 38.33 ATOM 1763 HB2 SER 112 11.387 -31.925 14.494 1.00 2.35 ATOM 1764 OG SER 112 12.368 -30.830 13.081 1.00 62.34 ATOM 1765 HG SER 112 13.106 -31.350 13.418 1.00 33.22 ATOM 1766 C SER 112 9.675 -29.993 15.585 1.00 13.35 ATOM 1767 O SER 112 8.694 -29.323 15.250 1.00 51.41 ATOM 1768 N SER 113 9.641 -30.867 16.590 1.00 10.12 ATOM 1769 HN SER 113 10.453 -31.374 16.808 1.00 38.33 ATOM 1770 CA SER 113 8.424 -31.088 17.384 1.00 32.10 ATOM 1771 HA SER 113 7.643 -31.404 16.705 1.00 43.10 ATOM 1772 CB SER 113 8.651 -32.193 18.426 1.00 70.40 ATOM 1773 HB1 SER 113 9.387 -31.864 19.146 1.00 38.33 ATOM 1774 HB2 SER 113 9.009 -33.084 17.930 1.00 2.55 ATOM 1775 OG SER 113 7.451 -32.512 19.112 1.00 20.43 ATOM 1776 HG SER 113 6.870 -33.007 18.521 1.00 33.25 ATOM 1777 C SER 113 7.977 -29.794 18.080 1.00 10.10 ATOM 1778 O SER 113 6.785 -29.491 18.152 1.00 10.40 ATOM 1779 N LEU 114 8.949 -29.023 18.574 1.00 30.24 ATOM 1780 HN LEU 114 9.876 -29.345 18.531 1.00 38.33 ATOM 1781 CA LEU 114 8.674 -27.716 19.188 1.00 23.23 ATOM 1782 HA LEU 114 7.945 -27.868 19.972 1.00 22.40 ATOM 1783 CB LEU 114 9.954 -27.133 19.807 1.00 71.31 ATOM 1784 HB1 LEU 114 9.721 -26.158 20.213 1.00 38.33 ATOM 1785 HB2 LEU 114 10.685 -27.008 19.018 1.00 3.40 ATOM 1786 CG LEU 114 10.591 -27.978 20.923 1.00 4.13 ATOM 1787 HG LEU 114 10.838 -28.953 20.526 1.00 13.42 ATOM 1788 CD1 LEU 114 11.886 -27.338 21.415 1.00 5.32 ATOM 1789 HD11 LEU 114 12.570 -27.226 20.585 1.00 20.24 ATOM 1790 HD12 LEU 114 12.338 -27.970 22.165 1.00 35.22 ATOM 1791 HD13 LEU 114 11.673 -26.368 21.842 1.00 60.44 ATOM 1792 CD2 LEU 114 9.611 -28.179 22.080 1.00 24.34 ATOM 1793 HD21 LEU 114 8.738 -28.709 21.725 1.00 21.14 ATOM 1794 HD22 LEU 114 9.312 -27.219 22.475 1.00 4.44 ATOM 1795 HD23 LEU 114 10.089 -28.756 22.859 1.00 22.44 ATOM 1796 C LEU 114 8.093 -26.730 18.161 1.00 71.10 ATOM 1797 O LEU 114 7.122 -26.024 18.442 1.00 30.32 ATOM 1798 N VAL 115 8.691 -26.689 16.967 1.00 71.51 ATOM 1799 HN VAL 115 9.489 -27.240 16.817 1.00 38.33 ATOM 1800 CA VAL 115 8.194 -25.835 15.878 1.00 71.54 ATOM 1801 HA VAL 115 8.196 -24.813 16.236 1.00 43.01 ATOM 1802 CB VAL 115 9.113 -25.909 14.626 1.00 53.33 ATOM 1803 HB VAL 115 9.157 -26.941 14.298 1.00 54.34 ATOM 1804 CG1 VAL 115 8.548 -25.071 13.478 1.00 3.42 ATOM 1805 HG11 VAL 115 9.204 -25.142 12.622 1.00 23.04 ATOM 1806 HG12 VAL 115 8.472 -24.038 13.786 1.00 3.20 ATOM 1807 HG13 VAL 115 7.567 -25.439 13.210 1.00 51.25 ATOM 1808 CG2 VAL 115 10.534 -25.458 14.969 1.00 54.01 ATOM 1809 HG21 VAL 115 10.944 -26.101 15.734 1.00 12.11 ATOM 1810 HG22 VAL 115 10.515 -24.439 15.331 1.00 41.22 ATOM 1811 HG23 VAL 115 11.155 -25.512 14.085 1.00 50.11 ATOM 1812 C VAL 115 6.754 -26.212 15.483 1.00 54.25 ATOM 1813 O VAL 115 5.938 -25.344 15.169 1.00 40.53 ATOM 1814 N THR 116 6.443 -27.507 15.501 1.00 32.54 ATOM 1815 HN THR 116 7.144 -28.165 15.705 1.00 38.33 ATOM 1816 CA THR 116 5.077 -27.973 15.227 1.00 5.24 ATOM 1817 HA THR 116 4.736 -27.475 14.328 1.00 11.33 ATOM 1818 CB THR 116 5.019 -29.498 14.978 1.00 24.35 ATOM 1819 HB THR 116 5.449 -30.004 15.832 1.00 32.53 ATOM 1820 OG1 THR 116 5.789 -29.820 13.812 1.00 71.51 ATOM 1821 HG1 THR 116 5.517 -30.682 13.471 1.00 72.13 ATOM 1822 CG2 THR 116 3.580 -29.983 14.792 1.00 51.44 ATOM 1823 HG21 THR 116 3.001 -29.753 15.677 1.00 4.01 ATOM 1824 HG22 THR 116 3.577 -31.052 14.632 1.00 35.02 ATOM 1825 HG23 THR 116 3.140 -29.492 13.937 1.00 64.00 ATOM 1826 C THR 116 4.130 -27.608 16.375 1.00 22.23 ATOM 1827 O THR 116 2.994 -27.201 16.143 1.00 1.05 ATOM 1828 N LEU 117 4.606 -27.747 17.613 1.00 70.04 ATOM 1829 HN LEU 117 5.493 -28.149 17.742 1.00 38.33 ATOM 1830 CA LEU 117 3.836 -27.325 18.790 1.00 41.00 ATOM 1831 HA LEU 117 2.912 -27.887 18.796 1.00 3.22 ATOM 1832 CB LEU 117 4.616 -27.634 20.078 1.00 74.14 ATOM 1833 HB1 LEU 117 5.551 -27.092 20.044 1.00 38.33 ATOM 1834 HB2 LEU 117 4.838 -28.693 20.090 1.00 54.31 ATOM 1835 CG LEU 117 3.897 -27.275 21.392 1.00 41.12 ATOM 1836 HG LEU 117 3.680 -26.215 21.395 1.00 72.14 ATOM 1837 CD1 LEU 117 2.571 -28.021 21.512 1.00 62.42 ATOM 1838 HD11 LEU 117 2.752 -29.086 21.500 1.00 21.24 ATOM 1839 HD12 LEU 117 1.931 -27.756 20.683 1.00 54.01 ATOM 1840 HD13 LEU 117 2.087 -27.750 22.439 1.00 4.35 ATOM 1841 CD2 LEU 117 4.790 -27.572 22.592 1.00 13.23 ATOM 1842 HD21 LEU 117 5.684 -26.969 22.535 1.00 14.53 ATOM 1843 HD22 LEU 117 5.063 -28.618 22.592 1.00 1.42 ATOM 1844 HD23 LEU 117 4.259 -27.340 23.504 1.00 12.40 ATOM 1845 C LEU 117 3.504 -25.825 18.711 1.00 44.11 ATOM 1846 O LEU 117 2.423 -25.387 19.119 1.00 13.35 ATOM 1847 N ASN 118 4.444 -25.044 18.180 1.00 14.14 ATOM 1848 HN ASN 118 5.322 -25.433 17.977 1.00 38.33 ATOM 1849 CA ASN 118 4.216 -23.624 17.907 1.00 70.25 ATOM 1850 HA ASN 118 3.835 -23.172 18.813 1.00 14.10 ATOM 1851 CB ASN 118 5.537 -22.937 17.527 1.00 61.24 ATOM 1852 HB1 ASN 118 5.958 -23.433 16.663 1.00 38.33 ATOM 1853 HB2 ASN 118 6.229 -23.021 18.353 1.00 45.31 ATOM 1854 CG ASN 118 5.359 -21.463 17.198 1.00 61.44 ATOM 1855 OD1 ASN 118 5.172 -21.086 16.046 1.00 4.32 ATOM 1856 ND2 ASN 118 5.404 -20.619 18.209 1.00 33.03 ATOM 1857 HD21 ASN 118 5.550 -20.979 19.109 1.00 53.00 ATOM 1858 HD22 ASN 118 5.288 -19.670 18.016 1.00 60.23 ATOM 1859 C ASN 118 3.174 -23.443 16.790 1.00 41.22 ATOM 1860 O ASN 118 2.218 -22.692 16.946 1.00 53.41 ATOM 1861 N LYS 119 3.359 -24.153 15.674 1.00 70.02 ATOM 1862 HN LYS 119 4.140 -24.742 15.612 1.00 38.33 ATOM 1863 CA LYS 119 2.428 -24.079 14.535 1.00 13.31 ATOM 1864 HA LYS 119 2.461 -23.066 14.156 1.00 20.45 ATOM 1865 CB LYS 119 2.869 -25.036 13.415 1.00 62.55 ATOM 1866 HB1 LYS 119 2.017 -25.250 12.783 1.00 38.33 ATOM 1867 HB2 LYS 119 3.211 -25.960 13.860 1.00 62.32 ATOM 1868 CG LYS 119 3.989 -24.492 12.530 1.00 44.50 ATOM 1869 HG1 LYS 119 4.821 -24.202 13.158 1.00 38.33 ATOM 1870 HG2 LYS 119 3.624 -23.626 11.996 1.00 20.44 ATOM 1871 CD LYS 119 4.470 -25.530 11.516 1.00 42.23 ATOM 1872 HD1 LYS 119 4.970 -26.329 12.048 1.00 38.33 ATOM 1873 HD2 LYS 119 5.169 -25.059 10.841 1.00 41.31 ATOM 1874 CE LYS 119 3.323 -26.124 10.697 1.00 41.41 ATOM 1875 HE1 LYS 119 2.604 -26.564 11.374 1.00 38.33 ATOM 1876 HE2 LYS 119 3.721 -26.896 10.055 1.00 11.42 ATOM 1877 NZ LYS 119 2.632 -25.112 9.851 1.00 42.25 ATOM 1878 HZ1 LYS 119 3.283 -24.736 9.130 1.00 2.45 ATOM 1879 HZ2 LYS 119 2.289 -24.325 10.437 1.00 64.12 ATOM 1880 HZ3 LYS 119 1.818 -25.548 9.371 1.00 54.44 ATOM 1881 C LYS 119 0.979 -24.400 14.939 1.00 32.13 ATOM 1882 O LYS 119 0.067 -23.621 14.667 1.00 74.42 ATOM 1883 N VAL 120 0.773 -25.549 15.583 1.00 63.45 ATOM 1884 HN VAL 120 1.542 -26.110 15.813 1.00 38.33 ATOM 1885 CA VAL 120 -0.575 -25.996 15.950 1.00 22.13 ATOM 1886 HA VAL 120 -1.145 -26.073 15.032 1.00 4.55 ATOM 1887 CB VAL 120 -0.558 -27.403 16.615 1.00 43.51 ATOM 1888 HB VAL 120 -1.575 -27.664 16.880 1.00 43.24 ATOM 1889 CG1 VAL 120 -0.045 -28.457 15.633 1.00 13.14 ATOM 1890 HG11 VAL 120 0.965 -28.214 15.335 1.00 55.34 ATOM 1891 HG12 VAL 120 -0.681 -28.478 14.759 1.00 52.04 ATOM 1892 HG13 VAL 120 -0.055 -29.429 16.106 1.00 44.33 ATOM 1893 CG2 VAL 120 0.283 -27.408 17.893 1.00 64.41 ATOM 1894 HG21 VAL 120 -0.126 -26.701 18.600 1.00 3.31 ATOM 1895 HG22 VAL 120 1.301 -27.130 17.657 1.00 53.42 ATOM 1896 HG23 VAL 120 0.275 -28.398 18.329 1.00 53.22 ATOM 1897 C VAL 120 -1.292 -24.986 16.868 1.00 60.31 ATOM 1898 O VAL 120 -2.455 -24.658 16.649 1.00 25.22 ATOM 1899 N THR 121 -0.588 -24.470 17.872 1.00 42.52 ATOM 1900 HN THR 121 0.351 -24.733 17.983 1.00 38.33 ATOM 1901 CA THR 121 -1.181 -23.504 18.811 1.00 70.03 ATOM 1902 HA THR 121 -2.164 -23.869 19.083 1.00 42.51 ATOM 1903 CB THR 121 -0.343 -23.383 20.103 1.00 21.12 ATOM 1904 HB THR 121 -0.783 -22.618 20.729 1.00 24.32 ATOM 1905 OG1 THR 121 1.008 -23.002 19.787 1.00 12.32 ATOM 1906 HG1 THR 121 1.575 -23.784 19.803 1.00 63.33 ATOM 1907 CG2 THR 121 -0.345 -24.701 20.873 1.00 54.21 ATOM 1908 HG21 THR 121 -1.360 -24.959 21.141 1.00 24.21 ATOM 1909 HG22 THR 121 0.247 -24.597 21.770 1.00 14.33 ATOM 1910 HG23 THR 121 0.073 -25.483 20.254 1.00 14.45 ATOM 1911 C THR 121 -1.335 -22.117 18.175 1.00 32.12 ATOM 1912 O THR 121 -2.357 -21.447 18.349 1.00 64.15 ATOM 1913 N ALA 122 -0.317 -21.696 17.428 1.00 40.21 ATOM 1914 HN ALA 122 0.485 -22.255 17.363 1.00 38.33 ATOM 1915 CA ALA 122 -0.355 -20.420 16.707 1.00 12.21 ATOM 1916 HA ALA 122 -0.491 -19.632 17.433 1.00 42.12 ATOM 1917 CB ALA 122 0.967 -20.176 15.986 1.00 55.03 ATOM 1918 HB1 ALA 122 1.777 -20.198 16.700 1.00 30.31 ATOM 1919 HB2 ALA 122 0.942 -19.210 15.501 1.00 52.22 ATOM 1920 HB3 ALA 122 1.121 -20.947 15.244 1.00 4.30 ATOM 1921 C ALA 122 -1.514 -20.377 15.707 1.00 24.13 ATOM 1922 O ALA 122 -2.164 -19.342 15.529 1.00 22.53 ATOM 1923 N ASP 123 -1.769 -21.509 15.061 1.00 62.43 ATOM 1924 HN ASP 123 -1.216 -22.298 15.250 1.00 38.33 ATOM 1925 CA ASP 123 -2.835 -21.615 14.069 1.00 13.23 ATOM 1926 HA ASP 123 -2.754 -20.765 13.406 1.00 72.44 ATOM 1927 CB ASP 123 -2.652 -22.899 13.259 1.00 52.32 ATOM 1928 HB1 ASP 123 -3.006 -23.739 13.843 1.00 38.33 ATOM 1929 HB2 ASP 123 -1.600 -23.037 13.047 1.00 32.15 ATOM 1930 CG ASP 123 -3.404 -22.872 11.942 1.00 63.34 ATOM 1931 OD1 ASP 123 -4.462 -23.529 11.839 1.00 34.21 ATOM 1932 OD2 ASP 123 -2.926 -22.204 10.999 1.00 42.12 ATOM 1933 C ASP 123 -4.220 -21.586 14.740 1.00 23.23 ATOM 1934 O ASP 123 -5.181 -21.050 14.182 1.00 63.21 ATOM 1935 N ILE 124 -4.319 -22.163 15.943 1.00 71.41 ATOM 1936 HN ILE 124 -3.542 -22.635 16.313 1.00 38.33 ATOM 1937 CA ILE 124 -5.570 -22.125 16.714 1.00 53.32 ATOM 1938 HA ILE 124 -6.352 -22.545 16.094 1.00 72.40 ATOM 1939 CB ILE 124 -5.471 -22.973 18.015 1.00 15.41 ATOM 1940 HB ILE 124 -4.614 -22.623 18.576 1.00 3.21 ATOM 1941 CG1 ILE 124 -5.269 -24.461 17.679 1.00 24.03 ATOM 1942 HG11 ILE 124 -4.377 -24.568 17.080 1.00 38.33 ATOM 1943 HG12 ILE 124 -6.118 -24.819 17.114 1.00 64.34 ATOM 1944 CG2 ILE 124 -6.713 -22.784 18.891 1.00 31.34 ATOM 1945 HG21 ILE 124 -6.800 -21.745 19.177 1.00 74.41 ATOM 1946 HG22 ILE 124 -6.624 -23.392 19.781 1.00 41.42 ATOM 1947 HG23 ILE 124 -7.593 -23.081 18.340 1.00 52.44 ATOM 1948 CD1 ILE 124 -5.115 -25.353 18.898 1.00 71.43 ATOM 1949 HD11 ILE 124 -6.013 -25.304 19.497 1.00 43.24 ATOM 1950 HD12 ILE 124 -4.273 -25.018 19.486 1.00 63.23 ATOM 1951 HD13 ILE 124 -4.950 -26.372 18.582 1.00 31.21 ATOM 1952 C ILE 124 -5.957 -20.681 17.081 1.00 1.44 ATOM 1953 O ILE 124 -7.134 -20.313 17.036 1.00 24.10 ATOM 1954 N GLY 125 -4.966 -19.859 17.422 1.00 63.41 ATOM 1955 HN GLY 125 -4.049 -20.205 17.470 1.00 38.33 ATOM 1956 CA GLY 125 -5.243 -18.459 17.736 1.00 20.00 ATOM 1957 HA1 GLY 125 -6.148 -18.410 18.326 1.00 38.33 ATOM 1958 HA2 GLY 125 -5.408 -17.927 16.811 1.00 64.33 ATOM 1959 C GLY 125 -4.125 -17.758 18.501 1.00 43.54 ATOM 1960 O GLY 125 -4.384 -17.068 19.489 1.00 41.13 ATOM 1961 N LEU 126 -2.883 -17.927 18.049 1.00 53.22 ATOM 1962 HN LEU 126 -2.731 -18.538 17.299 1.00 38.33 ATOM 1963 HA LEU 126 -2.115 -16.429 19.273 1.00 42.02 ATOM 1964 CB LEU 126 -0.887 -18.179 19.507 1.00 40.11 ATOM 1965 HB1 LEU 126 -0.014 -17.642 19.851 1.00 38.33 ATOM 1966 HB2 LEU 126 -0.557 -18.996 18.880 1.00 31.23 ATOM 1967 CG LEU 126 -1.596 -18.774 20.737 1.00 54.05 ATOM 1968 HG LEU 126 -2.482 -19.300 20.411 1.00 50.31 ATOM 1969 CD1 LEU 126 -0.689 -19.782 21.445 1.00 25.43 ATOM 1970 HD11 LEU 126 -0.447 -20.588 20.767 1.00 20.43 ATOM 1971 HD12 LEU 126 -1.199 -20.181 22.309 1.00 11.22 ATOM 1972 HD13 LEU 126 0.222 -19.292 21.759 1.00 13.12 ATOM 1973 CD2 LEU 126 -2.029 -17.667 21.699 1.00 11.54 ATOM 1974 HD21 LEU 126 -2.543 -18.103 22.542 1.00 5.33 ATOM 1975 HD22 LEU 126 -2.691 -16.983 21.189 1.00 11.24 ATOM 1976 HD23 LEU 126 -1.158 -17.128 22.049 1.00 2.22 ATOM 1977 CA LEU 126 -1.730 -17.221 18.641 1.00 25.22 ATOM 1978 C LEU 126 -0.851 -16.586 17.544 1.00 60.31 ATOM 1979 OT1 LEU 126 -1.109 -15.426 17.157 1.00 38.33 ATOM 1980 OT2 LEU 126 0.078 -17.257 17.049 1.00 38.33 ATOM 1981 OH2 TIP3 1 -10.115 -45.178 16.561 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.897 -46.068 16.897 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -9.437 -45.004 15.900 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.348 -44.579 20.335 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.865 -44.926 21.096 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -5.658 -44.013 20.757 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -9.771 -40.876 16.531 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -10.426 -41.570 16.408 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -9.821 -40.667 17.489 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -10.283 -44.281 19.129 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -10.605 -45.149 19.449 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.291 -44.373 18.150 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.595 -43.579 17.648 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -5.371 -43.823 18.558 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -6.221 -44.279 17.365 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -11.161 -46.434 22.505 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -10.581 -46.578 23.279 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -11.637 -45.603 22.714 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -10.011 -43.324 21.694 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -10.877 -43.502 22.117 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -10.156 -43.553 20.751 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -4.686 -41.513 16.019 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -4.903 -42.358 16.473 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -5.546 -41.220 15.637 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 1.235 -42.851 26.381 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 1.396 -42.135 25.747 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 1.552 -43.662 25.914 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.695 -40.439 19.275 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.886 -40.040 20.147 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -9.178 -41.243 19.486 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -12.454 -44.028 22.792 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -13.358 -44.160 22.485 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -12.510 -43.217 23.358 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.321 -45.769 17.852 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.033 -45.649 18.773 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -7.957 -46.509 17.893 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -12.877 -41.718 24.091 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -13.523 -41.668 24.828 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -12.505 -40.823 24.047 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.181 -40.504 15.571 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.030 -40.858 15.906 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.395 -39.592 15.311 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -2.705 -37.570 13.523 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -3.656 -37.345 13.566 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -2.613 -38.333 14.141 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -9.480 -47.583 17.922 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.091 -47.343 18.655 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -9.570 -48.539 17.842 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 0.300 -42.745 18.665 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 0.524 -43.327 19.398 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 1.104 -42.192 18.543 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -8.006 -45.025 22.496 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -8.658 -44.341 22.226 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -8.525 -45.645 23.042 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -0.685 -40.461 25.012 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -0.927 -39.835 24.325 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -1.523 -40.913 25.233 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -2.707 -39.677 15.312 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -2.066 -40.006 15.968 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -3.433 -40.331 15.345 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -8.004 -42.611 19.333 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.748 -43.207 19.110 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -7.327 -43.210 19.710 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.299 -36.458 13.626 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -5.046 -35.785 12.980 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -6.271 -36.357 13.712 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 4.967 -35.753 10.613 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 4.269 -35.669 11.288 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 4.473 -35.771 9.763 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -4.711 -42.710 21.413 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -4.027 -42.049 21.266 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -4.867 -42.681 22.386 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -14.269 -40.809 26.240 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -13.636 -40.102 25.985 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -14.722 -40.455 27.008 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -8.166 -41.339 22.100 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -8.811 -42.070 21.998 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -8.518 -40.813 22.849 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.040 -47.224 25.985 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.143 -47.123 26.391 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.361 -48.059 26.340 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -11.259 -46.783 19.842 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -12.197 -46.976 19.735 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -11.128 -46.763 20.824 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -4.583 -47.256 27.192 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -4.069 -46.545 27.634 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -3.937 -47.950 27.037 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 0.551 -39.394 17.332 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 1.181 -39.843 17.924 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -0.289 -39.874 17.470 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -2.914 -41.974 25.821 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -2.345 -42.750 26.014 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -3.134 -41.615 26.710 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -1.222 -44.018 26.474 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -0.960 -44.698 25.837 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -0.405 -43.486 26.602 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -12.441 -38.972 25.331 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -12.654 -38.037 25.144 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -11.494 -38.956 25.557 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -8.651 -39.477 24.078 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -9.068 -38.902 24.761 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -7.701 -39.441 24.283 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -9.454 -38.610 21.618 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -9.349 -38.931 22.539 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -8.721 -37.970 21.506 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -9.045 -38.003 18.183 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -9.837 -37.572 18.585 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -9.071 -38.915 18.539 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 1.230 -39.323 14.734 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 0.793 -38.586 14.249 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 0.881 -39.242 15.655 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 0.313 -40.700 34.345 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 0.167 -40.201 33.509 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -0.433 -40.411 34.929 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -4.300 -43.640 35.022 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -4.084 -43.847 35.952 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -3.577 -43.050 34.734 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -2.257 -42.026 33.951 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -1.292 -42.074 33.855 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -2.397 -41.251 34.550 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.084 -43.867 32.042 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -2.530 -44.643 32.266 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -2.879 -43.217 32.743 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -0.124 -44.190 39.872 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 0.592 -44.844 40.050 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.386 -43.873 40.758 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -6.357 -43.338 33.269 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.573 -44.234 32.993 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.614 -43.456 33.913 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.378 -43.495 29.727 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.863 -43.687 30.552 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -5.108 -42.936 30.034 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -1.997 -41.502 37.950 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -1.934 -40.912 37.158 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -1.519 -42.312 37.678 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 1.489 -39.904 46.857 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 2.238 -40.440 46.510 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 1.010 -40.510 47.426 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -11.461 -42.729 42.952 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -12.113 -43.051 42.328 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -11.883 -42.821 43.808 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.313 -41.247 34.929 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -7.181 -41.937 34.250 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -7.361 -41.754 35.775 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -5.693 -40.200 29.040 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.845 -40.431 28.620 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -5.660 -40.657 29.908 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -5.569 -41.384 31.482 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -5.884 -42.134 32.029 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -5.331 -40.695 32.142 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -2.871 -45.340 28.311 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -3.475 -44.699 28.747 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.349 -44.792 27.687 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -2.327 -37.233 42.639 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -2.358 -36.636 41.869 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -2.237 -36.626 43.404 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.021 -42.909 40.069 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -2.390 -43.013 40.811 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -2.573 -42.282 39.462 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.262 -42.843 37.111 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -7.120 -43.795 37.189 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -6.843 -42.476 37.908 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 1.782 -47.137 30.044 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 0.913 -46.700 29.858 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 1.536 -47.991 30.418 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 1.878 -45.987 40.156 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 2.853 -45.856 40.134 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 1.770 -46.905 40.422 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 0.021 -39.346 32.003 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -0.429 -38.545 31.648 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 0.969 -39.072 32.069 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -0.964 -43.989 37.341 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.879 -44.336 37.290 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -0.702 -44.137 38.286 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -7.856 -38.658 35.888 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -7.772 -39.595 35.619 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -7.799 -38.165 35.052 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.673 -44.351 37.695 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.454 -43.888 38.528 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -4.520 -44.804 37.892 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -3.205 -41.378 28.452 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.673 -41.035 29.207 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -3.603 -42.204 28.800 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -1.979 -40.847 30.836 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.209 -40.380 31.220 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.502 -41.110 31.604 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -6.512 -44.697 24.846 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -6.956 -44.781 23.980 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -6.652 -45.562 25.272 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.978 -42.545 24.115 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.252 -42.370 24.755 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -5.498 -43.271 24.532 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 0.037 -38.371 41.805 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 0.093 -37.705 41.079 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -0.826 -38.182 42.231 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.300 -46.352 24.578 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -8.514 -46.793 24.966 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -9.602 -45.755 25.274 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -6.142 -45.014 38.766 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -6.567 -45.521 39.463 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -6.094 -44.102 39.126 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -8.769 -36.884 28.153 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -8.291 -37.510 28.738 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -8.690 -36.037 28.601 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 3.220 -44.753 30.257 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 3.617 -45.016 31.108 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 2.642 -45.507 30.024 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 2.462 -41.650 36.287 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 3.097 -41.413 35.584 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 1.627 -41.246 35.993 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -0.747 -46.192 29.919 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.496 -45.933 29.342 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -1.092 -46.074 30.828 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.490 -46.007 32.586 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.629 -45.843 33.043 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -1.945 -46.632 33.160 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.433 -41.670 42.978 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.652 -40.714 42.989 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -4.257 -42.096 42.724 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -5.891 -37.248 44.052 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -6.464 -37.768 44.621 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -5.318 -37.913 43.616 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.517 -40.248 38.121 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -4.504 -39.733 37.283 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -3.655 -40.709 38.127 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.322 -38.272 30.037 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.732 -38.889 29.538 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -7.397 -38.675 30.910 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -0.486 -36.829 31.122 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 0.353 -36.710 31.618 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -0.890 -35.940 31.109 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 1.007 -40.931 41.778 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 0.661 -40.011 41.856 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 0.809 -41.182 40.869 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.098 -42.790 42.100 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.859 -42.405 42.593 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -0.349 -42.208 42.328 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 0.783 -35.379 45.075 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 1.260 -36.200 45.347 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 0.885 -34.781 45.849 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 1.942 -20.319 8.251 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 1.086 -20.173 7.795 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 1.812 -19.918 9.141 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.796 -19.353 7.529 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.258 -20.068 7.989 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.449 -18.784 8.256 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 3.498 -23.101 5.484 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 3.985 -23.929 5.304 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 3.246 -23.171 6.426 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -2.666 -19.183 -1.624 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -3.458 -19.487 -1.121 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -2.777 -19.572 -2.494 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -1.044 -20.225 10.860 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -1.716 -20.957 10.869 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -1.440 -19.543 10.280 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -7.939 -27.712 8.399 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -8.416 -27.396 7.626 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.461 -28.457 8.714 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -5.937 -26.803 10.048 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -6.036 -27.465 10.768 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -6.592 -27.085 9.373 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.094 -23.999 9.736 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.530 -23.671 10.477 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.071 -24.971 9.835 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -0.680 -18.242 -0.056 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -1.111 -17.809 0.711 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.433 -18.596 -0.589 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -0.215 -19.615 6.573 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -0.296 -19.538 5.595 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -1.141 -19.614 6.888 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -1.653 -24.322 9.835 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -2.076 -23.450 10.030 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -2.327 -24.975 10.111 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -0.108 -19.035 3.893 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 0.491 -19.396 3.214 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -0.653 -18.387 3.403 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -3.996 -22.550 3.664 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -4.412 -22.248 4.504 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -3.081 -22.713 3.901 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.213 -20.426 2.414 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.298 -19.987 3.270 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -4.826 -21.302 2.634 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -4.844 -20.058 -0.282 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -4.840 -20.116 0.700 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -5.693 -20.427 -0.533 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 1.513 -19.217 10.705 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 0.663 -19.701 10.797 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 1.390 -18.420 11.238 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -4.285 -26.879 13.798 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -3.649 -26.615 13.113 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -4.819 -26.060 13.956 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -5.767 -30.693 19.431 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -5.632 -30.721 18.454 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -5.473 -31.572 19.736 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -12.400 -24.107 21.050 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.887 -24.363 21.850 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -13.308 -24.348 21.263 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.277 -29.174 20.940 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -10.619 -29.423 20.275 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -10.881 -28.400 21.394 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -10.938 -24.569 23.295 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -10.249 -23.937 23.024 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.927 -24.530 24.281 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.991 -38.282 15.507 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.561 -39.063 15.419 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.988 -38.098 16.475 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -5.818 -24.656 13.854 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -6.640 -24.171 13.965 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -5.354 -24.179 13.119 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -5.870 -28.524 12.216 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -5.947 -29.302 12.776 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -5.322 -27.906 12.739 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -2.192 -29.626 13.283 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -2.833 -29.140 13.814 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -1.970 -30.404 13.828 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -11.031 -24.898 18.705 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -11.306 -24.169 18.121 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.495 -24.711 19.549 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.142 -26.978 22.237 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -9.574 -26.611 21.526 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -10.549 -26.185 22.649 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -1.584 -28.123 10.909 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -1.763 -28.706 11.678 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -2.265 -27.424 10.977 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -10.603 -24.599 26.033 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -10.861 -24.579 26.976 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -9.749 -25.076 26.030 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 0.096 -37.221 13.437 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -0.044 -36.641 14.222 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -0.811 -37.431 13.138 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -0.536 -18.647 13.047 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.273 -18.844 13.646 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -0.673 -19.259 12.291 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -12.406 -22.813 17.468 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -13.125 -22.516 18.075 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -12.844 -23.452 16.871 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -11.005 -37.180 19.832 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -10.683 -37.683 20.604 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -10.689 -36.264 19.992 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.519 -25.987 11.062 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.865 -25.107 11.356 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -4.267 -26.374 10.551 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -9.795 -31.574 19.208 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.150 -31.910 20.056 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -8.918 -31.989 19.136 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -5.695 -28.426 15.616 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -6.257 -27.801 16.089 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -5.127 -27.859 15.055 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -5.493 -30.909 16.751 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -5.873 -31.493 16.067 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -5.512 -30.016 16.340 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -5.552 -29.632 21.936 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -5.275 -30.460 22.389 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.603 -29.887 20.990 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -8.556 -33.898 16.220 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -8.186 -33.815 17.118 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -9.467 -33.525 16.303 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.566 -33.496 18.984 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.821 -33.121 19.486 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.333 -34.448 18.887 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.853 -32.618 16.895 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.515 -32.101 17.659 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -11.800 -32.666 17.044 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -13.479 -24.805 11.014 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -14.026 -24.610 10.250 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -13.067 -23.939 11.241 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -8.841 -25.909 20.057 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -8.274 -26.650 19.745 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.510 -25.798 19.346 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -0.190 -29.677 8.926 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -0.786 -29.220 9.553 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -0.466 -30.620 8.975 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -6.795 -28.866 24.227 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -6.364 -29.046 23.361 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -6.060 -28.717 24.832 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 4.283 -30.644 10.759 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 4.846 -30.166 10.117 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 4.922 -31.194 11.275 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -13.674 -26.209 13.357 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -14.113 -27.005 13.049 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -13.519 -25.688 12.535 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -13.139 -24.846 15.658 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.751 -25.563 16.174 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -13.415 -25.281 14.814 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.232 -18.845 17.017 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.108 -18.198 16.289 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.321 -19.109 17.259 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -7.307 -18.034 7.059 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -7.347 -18.727 7.766 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -8.080 -17.480 7.229 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -12.465 -22.389 11.708 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.707 -22.336 12.662 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.658 -21.876 11.643 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -3.952 -33.511 14.821 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -4.882 -33.205 14.892 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -3.701 -33.731 15.741 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -6.605 -32.553 14.813 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -7.286 -33.065 15.306 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -7.032 -32.340 13.976 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -5.896 -35.651 16.292 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -5.194 -35.888 15.665 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -6.708 -35.662 15.748 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -12.798 -22.357 14.419 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -12.586 -21.847 15.210 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -12.949 -23.264 14.753 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -5.113 -21.365 5.820 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -5.694 -21.711 6.527 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -5.461 -20.477 5.635 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -9.394 -28.252 24.575 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -9.715 -27.949 23.699 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -8.486 -28.595 24.393 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -6.849 -22.392 7.737 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -7.481 -22.992 7.327 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -6.450 -22.932 8.471 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -7.322 -19.973 8.943 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -7.223 -20.845 8.498 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -7.089 -20.151 9.861 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.956 -31.005 22.012 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.570 -30.500 22.551 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.391 -30.317 21.583 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 0.137 -26.293 9.411 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -0.335 -27.034 9.836 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -0.534 -25.579 9.360 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -10.951 -32.731 21.449 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.139 -33.310 22.216 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.655 -32.048 21.495 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.768 -34.795 20.148 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.061 -34.329 19.672 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.240 -34.085 20.630 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -7.177 -28.176 19.827 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -6.787 -28.183 20.713 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -6.871 -29.010 19.428 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -12.387 -33.907 23.479 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -13.018 -33.304 23.066 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -12.453 -33.703 24.438 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -7.140 -37.182 21.194 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -6.287 -36.833 21.521 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -7.333 -36.636 20.401 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -5.920 -40.136 23.160 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -6.605 -40.572 22.620 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -5.513 -40.869 23.662 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.906 -37.763 25.816 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.569 -37.075 25.607 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.488 -37.449 26.652 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -7.404 -19.522 14.408 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.448 -19.821 15.333 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.628 -19.994 14.044 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 0.724 -23.614 11.167 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 0.402 -22.940 11.778 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -0.081 -23.905 10.688 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 2.425 -28.892 9.501 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 1.513 -29.176 9.286 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 2.805 -29.646 9.982 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -0.810 -32.380 9.043 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -1.684 -32.785 9.241 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -0.196 -32.865 9.607 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -1.690 -31.939 14.931 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -1.615 -32.249 15.846 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -2.464 -32.428 14.582 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 0.575 -32.363 13.420 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -0.255 -32.373 13.935 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 0.514 -31.564 12.889 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -2.822 -33.973 10.035 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -2.830 -34.159 11.002 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -3.230 -34.749 9.644 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.339 -23.380 21.042 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -9.660 -22.852 20.283 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.064 -24.232 20.642 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.258 -21.966 23.062 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -7.833 -22.664 23.601 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -8.583 -22.442 22.267 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -14.065 -18.220 20.648 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -14.732 -18.566 21.245 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -14.304 -18.598 19.773 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -14.065 -21.731 19.339 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -14.340 -20.861 18.985 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.495 -21.510 20.099 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.116 -36.124 18.664 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -7.780 -36.811 18.418 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -6.569 -36.017 17.850 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -7.918 -35.984 14.476 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -8.408 -35.286 14.958 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.401 -36.814 14.696 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -2.969 -34.872 12.637 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -3.247 -34.401 13.452 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -2.618 -35.725 12.962 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -5.958 -18.863 4.830 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -6.506 -18.571 4.090 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -6.454 -18.564 5.629 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -5.959 -30.402 35.740 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -5.337 -30.433 36.488 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -6.090 -31.342 35.502 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -4.709 -23.662 34.352 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -5.557 -23.218 34.443 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -4.935 -24.619 34.373 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -7.113 -28.331 34.249 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -8.045 -28.607 34.130 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -6.707 -29.070 34.760 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -5.012 -36.470 35.502 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -4.572 -37.345 35.638 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -4.287 -35.822 35.583 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.044 -33.272 32.612 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -6.265 -32.836 32.195 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -7.125 -34.130 32.134 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -9.743 -29.155 33.900 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -10.234 -29.491 34.656 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -9.446 -29.971 33.421 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -2.438 -22.167 34.303 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -3.245 -22.724 34.228 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -2.744 -21.269 34.029 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -5.299 -39.840 33.713 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -5.986 -40.329 34.215 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -4.656 -39.548 34.409 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.477 -22.617 29.293 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.144 -22.799 28.383 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -6.822 -22.023 29.668 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -0.765 -29.324 35.835 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -0.933 -29.128 34.880 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -0.290 -28.552 36.151 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -2.987 -31.244 40.678 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -3.757 -30.858 40.250 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -3.286 -32.147 40.938 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -7.546 -26.636 31.925 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -7.425 -26.929 32.848 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -6.794 -27.046 31.447 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -4.349 -25.630 37.232 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -4.153 -26.584 37.348 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -4.967 -25.606 36.481 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.880 -24.695 30.389 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -8.323 -25.217 30.999 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.295 -23.962 30.091 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -13.817 -31.383 27.482 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -12.853 -31.474 27.596 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -14.032 -30.566 27.952 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.199 -18.455 28.618 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -6.460 -17.913 27.839 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -6.721 -19.261 28.526 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -3.427 -18.360 28.748 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -3.154 -19.217 28.408 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -4.404 -18.398 28.743 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -5.697 -17.192 31.088 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -5.925 -17.591 30.224 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -5.324 -16.308 30.853 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -4.225 -33.524 41.028 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -4.935 -33.875 41.615 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.594 -33.613 40.123 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -19.525 -31.534 35.497 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -19.906 -31.358 36.357 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -19.690 -30.737 34.994 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -5.633 -42.396 39.418 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -4.777 -42.607 39.850 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -5.475 -41.523 38.999 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -0.128 -31.712 36.934 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -0.358 -30.795 36.664 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -0.408 -32.256 36.173 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -4.648 -31.087 26.355 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -3.882 -31.109 26.972 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.406 -30.964 26.930 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -10.610 -30.540 30.126 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -11.469 -30.199 29.809 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.174 -29.756 30.513 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -12.622 -33.538 26.173 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -11.847 -33.139 26.622 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.380 -33.010 26.502 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -4.027 -31.002 37.746 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -4.453 -31.846 38.003 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -3.078 -31.181 37.830 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -3.598 -33.985 35.839 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -2.906 -33.512 35.349 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -4.439 -33.605 35.497 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -12.558 -29.084 28.726 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -11.974 -29.161 27.940 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -12.639 -28.135 28.867 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -12.125 -36.158 25.166 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -12.103 -35.741 24.284 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.409 -35.435 25.760 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.948 -31.257 32.465 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.297 -31.990 32.518 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.392 -31.393 31.611 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.132 -33.146 35.239 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -6.642 -33.774 35.788 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.547 -33.212 34.349 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -2.424 -26.525 39.297 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -3.130 -25.893 39.095 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -2.653 -27.313 38.764 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -3.492 -28.245 37.419 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -3.131 -28.173 36.511 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -3.737 -29.189 37.506 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -11.021 -24.763 28.791 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -11.736 -24.374 29.303 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -10.223 -24.655 29.369 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.825 -28.087 31.324 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -9.070 -27.477 31.468 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -10.038 -28.413 32.222 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -5.349 -26.292 34.625 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -5.978 -27.038 34.499 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -4.466 -26.726 34.660 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -8.271 -26.084 25.897 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -8.670 -26.869 25.466 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -7.752 -26.461 26.646 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -7.139 -27.343 28.057 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -8.051 -27.387 28.411 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -6.579 -27.575 28.812 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -5.413 -38.611 40.177 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -5.040 -39.190 39.483 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -6.102 -38.101 39.713 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -6.465 -22.705 26.773 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.603 -23.219 25.950 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -6.689 -21.793 26.522 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -4.900 -33.641 38.292 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -5.714 -34.129 38.042 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -4.255 -33.890 37.598 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.954 -20.353 26.392 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -8.675 -20.884 26.751 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -8.248 -20.140 25.474 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -11.043 -31.745 27.604 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -10.759 -30.914 27.161 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -10.718 -31.647 28.520 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 1.790 -33.307 38.102 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 1.202 -32.601 37.762 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 1.216 -34.093 38.136 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.562 -19.799 33.449 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -3.163 -19.064 32.944 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -4.489 -19.517 33.582 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -7.184 -24.053 24.477 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -7.655 -24.748 24.994 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -6.535 -24.544 23.960 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -10.596 -29.165 26.821 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -10.185 -28.524 27.442 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -10.256 -28.891 25.937 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -9.839 -27.322 28.689 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.237 -26.427 28.655 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -9.947 -27.595 29.627 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -6.835 -35.226 37.098 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -6.266 -35.729 36.474 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.208 -35.916 37.682 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -7.444 -37.648 38.404 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -7.481 -38.061 37.507 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -8.244 -37.960 38.838 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -5.931 -34.784 42.756 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -5.813 -35.686 43.126 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -6.713 -34.451 43.198 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -0.663 -16.509 32.969 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -0.660 -15.607 32.590 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -1.599 -16.799 32.887 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 0.181 -22.648 34.708 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 0.238 -23.587 34.496 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -0.756 -22.410 34.495 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -1.950 -24.605 36.304 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -2.141 -23.778 35.831 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.808 -24.848 36.717 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -0.363 -30.578 40.966 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -1.334 -30.655 40.826 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -0.117 -31.419 41.359 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 0.018 -25.999 40.322 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -0.860 -26.297 39.977 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -0.139 -25.841 41.259 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 2.260 -37.499 45.809 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 1.881 -38.301 46.243 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 2.805 -37.860 45.076 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -0.036 -36.257 40.127 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -0.010 -35.941 39.203 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -0.618 -35.611 40.585 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 1.506 -20.300 34.313 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 1.129 -21.190 34.483 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 1.616 -19.915 35.198 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -6.705 -37.477 33.570 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -6.192 -38.304 33.444 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -6.172 -36.965 34.215 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -7.259 -35.800 31.466 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -7.228 -36.463 30.755 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -7.129 -36.326 32.285 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -7.334 -17.537 26.332 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -7.626 -18.432 26.074 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -8.079 -16.956 26.065 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -4.337 -39.058 42.668 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -4.764 -38.926 41.787 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -3.557 -38.458 42.647 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -1.828 -34.699 41.545 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -1.825 -34.673 42.524 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.624 -34.178 41.295 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -1.811 -35.116 44.310 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.255 -34.849 45.122 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -0.861 -35.183 44.565 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 1.400 -15.979 1.734 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 1.921 -15.164 1.574 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 1.819 -16.644 1.148 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -1.082 -16.969 2.311 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -1.531 -16.320 2.878 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -0.219 -16.546 2.095 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -1.928 -9.620 4.221 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -2.118 -8.703 4.442 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -1.112 -9.570 3.664 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -6.035 -12.604 5.226 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -6.302 -13.217 5.953 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -6.801 -12.579 4.647 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -0.790 -11.967 5.021 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -0.875 -12.410 4.155 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -1.126 -11.060 4.856 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.717 -14.367 7.156 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -6.103 -15.124 7.201 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -7.048 -14.274 8.075 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.496 -9.662 2.962 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 0.760 -10.546 2.624 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 1.330 -9.155 2.972 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -2.261 -15.326 4.404 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -2.514 -14.761 5.163 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -2.642 -16.204 4.627 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -3.151 -13.890 6.713 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -3.901 -14.246 7.216 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -3.436 -12.983 6.468 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.536 -15.275 9.793 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -4.524 -15.844 8.999 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -3.925 -15.716 10.416 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -2.411 -10.314 8.173 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -3.083 -10.477 7.475 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -1.765 -11.035 8.050 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -0.915 -12.637 7.655 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -0.754 -12.334 6.728 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -1.656 -13.277 7.566 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.324 -13.295 2.652 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.733 -14.027 3.164 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.035 -12.981 2.078 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.774 -11.250 5.930 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.638 -11.595 5.598 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.388 -10.790 5.162 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.417 -17.708 5.417 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.152 -18.196 4.999 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -3.066 -18.336 6.089 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.991 -16.512 7.353 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.719 -17.167 7.318 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -4.356 -16.822 6.674 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.806 -14.173 19.944 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -9.699 -14.793 20.697 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.351 -14.675 19.298 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -9.097 -16.239 21.575 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -9.862 -16.820 21.372 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -8.316 -16.784 21.357 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -9.025 -16.758 16.607 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -9.061 -16.980 15.654 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -8.736 -15.813 16.621 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -2.722 -14.469 15.251 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.211 -14.773 16.043 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -3.021 -13.559 15.498 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -0.034 -9.042 20.504 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -0.640 -9.677 20.949 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -0.358 -8.157 20.798 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.694 -12.401 20.760 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.997 -12.391 19.843 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.513 -12.578 21.284 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 1.902 -12.283 24.386 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 1.188 -12.599 23.796 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 2.118 -13.059 24.939 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -10.369 -21.609 19.000 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -10.065 -20.792 18.555 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -11.027 -21.988 18.380 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -6.380 -16.776 21.131 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -5.612 -16.897 20.527 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -6.034 -17.007 22.003 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -2.109 -14.221 22.027 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -2.677 -13.580 21.540 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -2.346 -15.077 21.652 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.112 -11.946 16.057 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.805 -11.335 16.367 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.335 -11.372 15.908 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -7.049 -14.425 19.719 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -6.840 -15.313 20.075 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -8.027 -14.408 19.677 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -5.984 -13.264 21.973 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.406 -13.618 21.166 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -6.463 -13.703 22.703 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -8.597 -14.062 16.605 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -7.816 -13.517 16.786 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -9.341 -13.421 16.612 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -10.399 -12.003 16.947 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -10.043 -11.726 17.817 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -11.131 -11.401 16.788 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -11.075 -16.008 18.301 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -11.828 -16.041 17.696 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -10.318 -16.307 17.753 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -1.553 -10.921 21.792 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -2.318 -11.339 21.342 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -1.783 -10.964 22.738 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -2.706 -16.420 11.563 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -2.788 -16.801 12.464 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -2.339 -15.519 11.720 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -1.842 -14.107 12.684 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -2.306 -14.201 13.543 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -1.427 -13.219 12.735 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 0.032 -12.354 10.255 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -0.602 -11.767 10.714 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -0.406 -12.559 9.405 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -9.252 -11.577 19.430 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -9.524 -12.501 19.656 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -9.257 -11.117 20.276 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -2.580 -16.973 14.232 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -2.846 -16.125 14.658 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -2.871 -17.658 14.859 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -7.103 -14.449 9.876 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -6.161 -14.741 9.901 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -7.227 -13.983 10.705 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -7.651 -14.960 23.545 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -8.249 -15.146 24.301 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -8.119 -15.348 22.775 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -9.528 -19.337 17.528 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -8.666 -19.786 17.404 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -9.329 -18.392 17.357 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -6.869 -12.210 18.074 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -6.729 -13.035 18.586 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -7.688 -11.832 18.453 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -14.599 -19.303 18.203 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -15.241 -19.229 17.490 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -13.725 -19.137 17.761 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -1.147 -7.842 8.156 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -1.796 -7.380 8.692 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -1.514 -8.743 8.059 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -11.474 -17.391 20.676 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -11.347 -16.935 19.817 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -12.435 -17.617 20.684 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -11.374 -19.107 22.830 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -11.388 -18.485 22.070 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -11.676 -19.958 22.444 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -9.299 -15.755 25.602 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -9.715 -15.108 26.181 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -10.044 -16.345 25.327 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -8.894 -19.548 24.004 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -9.755 -19.344 23.587 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -8.591 -20.364 23.536 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -2.105 -12.438 24.219 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -2.719 -12.786 24.906 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -2.070 -13.150 23.553 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -11.974 -21.341 21.213 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -11.304 -21.236 20.505 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -12.071 -22.310 21.303 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -11.406 -17.351 25.006 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -11.339 -17.924 24.212 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -12.189 -17.672 25.459 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -3.157 -8.772 15.719 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.924 -9.248 16.091 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -3.535 -7.984 15.323 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -2.116 -10.752 10.949 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -2.255 -10.419 10.038 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -2.964 -11.143 11.189 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -1.661 -17.862 9.512 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -0.892 -17.277 9.345 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -2.139 -17.416 10.249 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -5.167 -10.294 17.028 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -5.743 -11.075 17.194 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -5.400 -9.679 17.730 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 2.702 -14.500 25.907 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 3.084 -14.738 25.028 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 3.444 -14.073 26.377 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.662 -11.739 13.286 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -0.666 -11.274 14.153 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.990 -11.073 12.658 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -1.430 -10.023 25.392 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -0.867 -10.222 26.163 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -1.700 -10.902 25.059 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 0.931 -19.358 27.636 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 0.587 -18.726 26.964 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 0.372 -20.149 27.528 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -11.772 -16.933 15.118 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -12.057 -16.200 14.566 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -10.929 -17.225 14.714 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -9.294 -17.646 13.977 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -9.159 -17.397 13.056 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -8.645 -18.382 14.123 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 2.090 -15.872 32.972 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 2.625 -16.667 32.796 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 1.207 -16.224 33.190 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -0.698 -12.730 27.716 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -0.349 -11.847 27.480 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.092 -13.045 28.424 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -2.668 -13.564 32.222 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -1.713 -13.704 32.050 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.688 -12.862 32.876 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -5.676 -15.512 25.410 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -6.284 -15.276 24.681 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -6.103 -16.283 25.836 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -3.932 -13.512 25.928 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -4.531 -14.263 25.695 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -4.448 -12.981 26.543 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 1.064 -13.853 29.437 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 1.250 -14.747 29.080 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 1.854 -13.328 29.188 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -2.734 -14.419 28.319 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -3.100 -14.539 27.426 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -2.065 -13.709 28.205 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -0.005 -14.894 26.071 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 0.955 -14.710 26.031 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -0.372 -14.136 26.567 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -0.097 -17.599 25.806 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -0.399 -17.640 24.897 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -0.137 -16.640 26.029 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 0.032 -14.051 31.937 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 0.286 -13.907 30.996 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 0.866 -14.308 32.369 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -3.031 -17.478 32.025 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -3.985 -17.405 31.827 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -2.594 -17.153 31.207 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -5.998 -18.420 33.500 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -6.497 -17.792 34.027 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -5.986 -18.022 32.601 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -4.383 -14.888 30.499 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -3.884 -14.397 31.187 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -3.877 -14.725 29.677 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -1.751 -16.517 29.812 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -1.973 -15.700 29.319 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -2.247 -17.224 29.335 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 15.804 -37.038 7.473 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 15.973 -37.634 8.234 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 16.694 -36.797 7.157 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 12.237 -35.205 4.671 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 12.614 -35.427 5.549 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 11.781 -36.018 4.394 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 14.223 -44.214 15.643 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 14.258 -44.894 14.960 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 13.276 -43.961 15.683 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.397 -43.209 18.558 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 12.331 -42.967 18.771 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 11.090 -43.698 19.355 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 18.544 -40.955 19.416 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 18.614 -41.118 20.363 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 17.754 -40.366 19.330 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 8.214 -42.448 20.043 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 8.111 -41.733 19.380 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 8.846 -43.057 19.639 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 10.774 -40.651 17.863 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 9.882 -40.447 18.214 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 10.963 -41.554 18.204 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 15.790 -43.809 17.895 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 16.346 -44.575 18.091 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 15.282 -44.077 17.095 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 11.683 -43.075 15.768 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 11.474 -43.291 16.702 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 10.878 -42.615 15.444 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 9.100 -42.122 24.663 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 8.835 -41.640 23.844 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 9.904 -42.609 24.396 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 8.380 -40.910 22.354 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 8.657 -40.042 22.001 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 8.271 -41.467 21.560 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 13.674 -41.463 14.724 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 14.394 -42.109 14.814 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 12.863 -41.989 14.876 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 22.104 -50.720 22.687 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 22.649 -49.911 22.671 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 21.205 -50.398 22.747 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 19.188 -42.780 17.548 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 18.951 -43.590 18.050 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 18.890 -42.044 18.135 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 13.358 -45.320 20.991 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 13.547 -45.213 21.957 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 13.795 -44.563 20.581 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 5.284 -39.042 16.127 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 6.080 -39.417 15.673 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 4.632 -39.774 16.111 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 6.375 -41.972 25.236 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.881 -41.346 24.671 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 7.311 -41.837 24.983 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 6.054 -44.424 24.044 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 6.229 -43.602 24.549 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 6.721 -44.408 23.319 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 18.467 -42.310 11.176 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 18.753 -42.088 10.287 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 18.917 -43.164 11.364 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 3.455 -43.202 23.492 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 4.288 -43.701 23.583 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 3.734 -42.266 23.515 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 2.507 -41.121 18.410 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.882 -41.084 17.501 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 3.253 -40.911 18.984 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 15.355 -34.577 10.748 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 15.127 -35.481 11.034 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 14.518 -34.201 10.467 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 14.593 -47.742 21.508 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 13.911 -48.414 21.585 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 14.124 -46.964 21.146 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 4.253 -40.556 23.975 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 4.033 -40.551 24.936 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 3.760 -39.808 23.615 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 10.965 -44.787 25.062 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 11.438 -44.271 25.747 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 11.131 -44.285 24.232 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 13.856 -42.235 19.063 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 14.691 -42.651 18.761 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 14.145 -41.419 19.530 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 3.856 -40.566 26.679 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 4.159 -41.362 27.163 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 4.164 -39.821 27.227 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 8.043 -40.212 18.442 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 7.214 -39.892 18.858 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 8.267 -39.506 17.801 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 -1.575 -41.192 17.387 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 -0.968 -41.822 17.843 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 -2.378 -41.706 17.237 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 9.871 -41.001 15.230 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 10.291 -40.367 14.600 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 10.154 -40.688 16.108 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 1.902 -44.996 24.852 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 2.633 -45.610 25.082 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 2.298 -44.399 24.181 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 8.523 -45.906 25.379 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 8.014 -45.733 24.573 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.436 -45.594 25.161 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 14.436 -39.455 12.968 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 15.347 -39.782 12.785 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 14.045 -40.152 13.535 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 13.917 -44.968 23.578 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 13.779 -43.992 23.663 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 13.659 -45.322 24.455 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 4.414 -38.306 13.513 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 4.605 -38.483 14.453 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 3.924 -39.102 13.212 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 7.382 -39.915 14.693 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 7.558 -39.528 13.826 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 8.185 -40.440 14.889 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 2.673 -36.323 12.622 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 3.307 -36.982 12.971 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 1.794 -36.708 12.821 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 9.566 -34.859 13.896 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 9.465 -34.508 14.783 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 9.141 -34.177 13.319 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 17.370 -37.343 12.040 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 17.396 -38.019 11.339 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 16.418 -37.127 12.121 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 15.822 -41.194 17.026 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 16.079 -40.732 17.859 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 16.023 -42.137 17.204 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 11.011 -39.181 13.585 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 11.688 -39.211 12.898 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 10.371 -38.503 13.262 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 8.012 -44.318 22.120 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 8.918 -44.601 21.915 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 7.828 -43.620 21.463 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 9.299 -37.272 12.640 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 8.334 -37.371 12.460 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.364 -36.426 13.143 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 18.969 -44.825 19.348 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 18.870 -45.655 18.829 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 18.843 -45.115 20.288 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 3.296 -40.876 15.785 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 3.451 -41.444 15.017 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 2.537 -40.311 15.513 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 14.603 -37.127 11.591 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 13.803 -36.968 11.027 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 14.341 -37.877 12.174 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 5.236 -42.764 27.695 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 5.753 -42.566 26.883 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 5.212 -43.743 27.728 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 4.344 -46.082 25.431 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 4.986 -45.617 24.854 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 4.663 -45.907 26.328 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 12.600 -42.888 26.160 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 13.460 -43.003 26.581 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 12.819 -42.704 25.216 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 10.706 -44.452 20.930 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 11.487 -45.040 20.961 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 10.829 -43.850 21.707 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 14.053 -45.620 26.255 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 14.463 -44.736 26.176 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 14.813 -46.235 26.218 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 6.722 -48.386 28.411 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 6.529 -49.290 28.146 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 5.943 -48.121 28.948 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 9.947 -36.070 10.190 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 9.887 -36.647 10.977 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 9.136 -35.528 10.234 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 16.985 -40.425 12.499 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 17.371 -41.177 11.992 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 17.727 -40.106 13.043 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 20.008 -44.606 11.137 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 20.097 -45.427 10.646 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 20.700 -44.668 11.834 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 18.662 -45.697 21.913 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 19.273 -45.937 22.638 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 17.774 -45.859 22.290 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 20.917 -43.098 20.406 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 21.217 -42.538 19.661 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 20.168 -43.605 20.040 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 2.766 -40.431 12.847 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 2.222 -40.901 12.208 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 2.114 -40.031 13.470 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 12.666 -36.578 9.792 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 11.714 -36.382 9.933 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 12.805 -36.409 8.842 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 6.616 -37.508 12.067 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 5.877 -37.848 12.613 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 6.176 -36.948 11.398 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 0.746 -45.674 34.038 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 1.698 -45.782 33.901 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 0.685 -45.176 34.874 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 4.583 -47.437 29.821 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 4.737 -47.102 30.732 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 3.607 -47.456 29.739 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 3.970 -43.286 32.829 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 3.827 -43.913 33.561 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 3.787 -42.407 33.227 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 9.184 -41.879 37.836 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 9.074 -42.262 36.948 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 9.515 -42.619 38.371 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 16.469 -44.853 36.626 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 15.568 -44.715 36.248 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 17.061 -44.841 35.845 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 14.495 -49.135 33.239 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 14.901 -48.588 32.533 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 14.295 -49.967 32.806 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 10.343 -42.282 32.626 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 10.871 -41.878 33.331 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 10.986 -42.847 32.136 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 9.678 -43.978 41.063 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 9.212 -43.147 41.294 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.573 -43.861 41.436 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 18.215 -46.906 32.179 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 19.145 -47.226 32.097 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 18.105 -46.742 33.127 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 13.759 -45.273 29.702 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 13.060 -45.679 29.146 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 14.593 -45.611 29.320 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 17.816 -44.548 39.714 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 18.334 -44.396 38.896 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 17.303 -45.359 39.526 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.587 -45.208 40.307 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.097 -44.431 40.649 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.900 -45.665 41.120 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 3.478 -45.372 34.761 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 4.284 -45.523 35.273 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 2.826 -45.047 35.428 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 8.797 -41.413 41.418 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 8.528 -40.878 40.651 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 9.700 -41.089 41.635 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 10.079 -45.710 30.464 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 9.217 -45.838 30.043 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 10.719 -46.007 29.784 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 4.592 -45.812 40.234 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 5.432 -45.897 39.776 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 4.842 -45.748 41.185 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 3.457 -42.010 38.856 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 3.162 -42.910 39.046 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 3.133 -41.837 37.948 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 2.961 -40.854 33.674 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 1.995 -40.910 33.841 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.072 -39.992 33.212 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 14.220 -50.582 40.855 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 13.350 -50.328 40.533 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 14.205 -51.545 40.853 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 5.121 -40.909 40.696 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 5.925 -40.664 40.182 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 4.517 -41.304 40.021 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 6.578 -45.040 33.660 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 7.508 -45.346 33.504 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 6.672 -44.299 34.287 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.979 -43.865 31.187 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 12.677 -44.125 30.548 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 11.247 -44.495 31.009 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 10.895 -45.737 35.329 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 11.031 -45.747 36.291 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 11.580 -46.355 34.986 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 12.164 -45.804 37.974 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 12.873 -46.023 37.351 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 12.632 -45.649 38.823 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 4.576 -46.212 32.296 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 5.449 -45.951 32.672 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 3.970 -46.157 33.056 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 11.637 -46.217 28.183 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 10.731 -46.487 27.917 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 12.110 -46.101 27.340 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 8.968 -46.911 27.854 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 8.250 -47.541 28.075 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 8.786 -46.658 26.922 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 5.370 -45.584 42.826 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 4.826 -45.637 43.618 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 6.085 -44.985 43.068 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 8.864 -43.856 35.922 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 9.475 -44.399 35.386 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 8.930 -44.248 36.823 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 11.301 -40.734 42.269 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 11.092 -40.397 43.170 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 12.029 -40.151 41.959 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.009 -47.224 34.532 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.453 -48.073 34.328 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 13.312 -46.624 33.816 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 6.895 -42.428 34.635 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 6.971 -41.447 34.601 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 7.657 -42.708 35.184 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 16.577 -46.652 25.905 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 16.575 -46.644 24.923 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 17.517 -46.482 26.142 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.144 -45.676 33.153 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 9.852 -45.820 33.810 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.603 -45.726 32.291 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 5.462 -45.498 28.031 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 5.027 -46.165 28.604 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 6.328 -45.886 27.832 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 4.010 -38.646 44.020 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 3.792 -39.533 43.656 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 4.684 -38.832 44.712 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 6.765 -40.273 42.845 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 7.537 -40.774 42.514 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 6.037 -40.545 42.255 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 12.303 -43.243 41.866 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 11.945 -42.335 41.987 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 13.052 -43.289 42.497 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 8.131 -43.664 26.942 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 8.281 -44.542 26.552 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 8.475 -43.045 26.274 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 14.496 -43.485 43.566 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 15.325 -43.423 44.095 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 14.436 -44.434 43.335 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.657 -44.657 38.428 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 10.490 -45.163 38.339 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 9.540 -44.558 39.401 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 14.424 -46.201 42.734 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 15.398 -46.290 42.895 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 14.051 -47.003 43.112 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 17.218 -42.118 47.456 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 17.244 -41.197 47.103 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 17.551 -42.030 48.380 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 18.340 -44.975 30.187 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 18.196 -45.739 30.783 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 18.468 -44.215 30.804 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 19.281 -42.165 29.352 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 19.326 -42.330 30.317 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 18.827 -42.939 29.002 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 16.263 -46.331 23.153 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 15.528 -45.707 23.328 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 15.860 -47.012 22.570 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 14.035 -45.606 32.641 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 14.628 -46.210 32.152 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 13.621 -45.070 31.945 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 1.522 -44.237 36.291 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 1.855 -43.319 36.364 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 0.643 -44.208 36.738 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 17.025 -46.377 43.408 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 17.736 -46.942 43.037 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.463 -45.867 44.103 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 16.736 -49.438 41.110 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 16.898 -49.243 40.166 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 15.835 -49.817 41.125 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 15.693 -47.506 31.294 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 16.620 -47.375 31.593 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 15.704 -47.231 30.354 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 17.015 -48.690 38.432 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 16.503 -48.986 37.672 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 16.633 -47.807 38.650 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 15.846 -46.253 38.869 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.083 -45.845 39.328 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 15.979 -45.689 38.071 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 3.481 -41.066 42.956 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 4.018 -41.167 42.145 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 2.552 -41.126 42.637 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 20.127 -39.907 46.871 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 20.739 -40.652 47.042 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 20.481 -39.172 47.429 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 10.951 -39.541 44.684 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 11.848 -39.142 44.580 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 10.340 -38.801 44.479 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 13.671 -35.896 46.372 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 12.714 -36.057 46.211 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.964 -36.691 46.869 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 14.148 -38.274 47.721 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 14.438 -38.956 47.097 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 13.456 -38.718 48.259 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 12.660 -41.985 47.108 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.771 -41.570 47.108 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 12.723 -42.407 46.244 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 17.905 -41.572 50.070 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 18.564 -41.542 50.771 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 17.192 -40.981 50.386 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.757 -41.545 48.755 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 15.555 -41.882 48.302 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.019 -41.805 48.159 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 11.048 -35.559 42.197 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 11.389 -36.297 41.625 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 11.794 -34.927 42.229 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 12.252 -39.773 49.098 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 12.693 -40.629 49.204 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 11.514 -39.959 48.478 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 8.289 -38.709 47.463 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 7.516 -38.105 47.482 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 8.978 -38.227 47.965 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 5.627 -39.335 46.114 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 5.694 -38.473 46.583 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 6.514 -39.713 46.195 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 13.209 -38.266 43.957 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 13.522 -37.358 44.046 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 13.381 -38.490 43.016 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 15.284 -40.791 42.688 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.891 -41.625 42.984 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 14.554 -40.324 42.237 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 16.880 -43.614 44.965 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 17.850 -43.531 44.862 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 16.708 -43.245 45.850 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 9.789 -37.152 44.001 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 10.223 -36.860 44.835 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 10.267 -36.657 43.299 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.606 -41.239 45.794 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 4.377 -40.669 45.986 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 3.633 -41.358 44.826 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.728 -39.937 50.682 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 15.009 -39.722 51.287 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 15.309 -40.530 50.010 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 1.420 -34.103 47.390 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 2.237 -33.645 47.103 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 1.724 -34.724 48.065 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 10.377 -40.450 47.155 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.580 -40.152 46.238 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 9.512 -40.025 47.355 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 15.535 -34.046 45.461 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 14.787 -34.671 45.553 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 15.977 -34.073 46.341 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 3.690 -35.949 47.575 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 3.172 -36.492 46.942 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 3.796 -35.087 47.123 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.296 -26.300 -0.381 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 11.044 -26.774 -1.181 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 12.249 -26.076 -0.526 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 4.694 -26.635 2.371 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 5.514 -26.833 1.876 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 4.334 -27.523 2.594 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 11.656 -22.680 2.883 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 12.408 -22.637 2.278 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 12.065 -22.862 3.759 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 5.381 -23.854 1.654 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 4.772 -23.757 0.891 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 5.177 -24.741 2.007 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 11.637 -18.180 2.681 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 11.711 -17.220 2.879 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 12.440 -18.374 2.147 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 9.045 -25.376 0.811 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 9.845 -25.753 0.379 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 9.326 -25.228 1.742 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 20.125 -34.680 4.827 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 19.926 -33.797 4.425 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 20.689 -35.113 4.177 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 13.953 -26.104 -0.784 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 14.671 -25.804 -1.348 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 14.407 -26.534 -0.025 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 19.805 -32.193 3.822 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 19.991 -31.603 3.068 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 19.700 -31.582 4.581 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 6.257 -23.738 -2.119 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.078 -24.681 -1.932 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 6.971 -23.500 -1.482 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 17.851 -22.460 1.495 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 16.920 -22.323 1.699 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 18.116 -21.643 1.028 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 15.138 -32.565 2.759 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 14.173 -32.718 2.904 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 15.414 -33.305 2.204 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 14.817 -19.784 -2.843 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 14.724 -19.756 -3.802 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 13.909 -19.920 -2.521 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 17.835 -27.204 2.611 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 18.117 -26.263 2.556 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 18.549 -27.634 3.132 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 8.523 -19.768 -0.014 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 8.864 -19.932 -0.918 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 8.987 -18.952 0.273 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 6.948 -27.130 0.847 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.719 -26.522 0.867 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 6.404 -26.799 0.099 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 7.135 -26.609 6.589 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.325 -26.433 5.641 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.289 -27.078 6.576 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 11.981 -19.774 -2.554 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 12.178 -19.688 -3.512 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 11.021 -19.966 -2.525 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 4.897 -25.454 4.865 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 5.846 -25.476 4.630 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 4.454 -25.851 4.083 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 3.905 -23.631 -0.604 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 3.217 -22.928 -0.677 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 4.516 -23.442 -1.340 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 18.889 -21.870 4.813 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 19.158 -21.674 5.738 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 18.139 -22.495 4.910 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 12.683 -19.103 -5.094 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 12.457 -19.087 -6.029 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 12.592 -18.171 -4.807 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 5.915 -19.595 -1.781 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 6.443 -18.830 -2.069 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 6.216 -20.324 -2.363 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 11.083 -37.454 3.355 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 11.873 -37.902 3.023 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 10.604 -38.142 3.837 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 4.290 -29.312 2.975 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 4.632 -30.157 2.608 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 3.696 -29.593 3.703 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 9.526 -28.145 3.168 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 9.703 -28.698 2.383 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 8.657 -28.462 3.491 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 12.511 -32.862 3.337 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 12.386 -33.691 3.861 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 11.644 -32.723 2.902 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 12.529 -18.115 7.188 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 11.949 -17.465 7.638 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 12.919 -17.604 6.435 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 10.045 -32.661 2.116 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 10.028 -33.623 1.934 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 9.128 -32.455 2.368 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 5.167 -26.094 -1.004 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 4.566 -26.770 -1.340 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 4.572 -25.383 -0.684 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 5.600 -30.174 6.115 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 5.479 -31.116 6.339 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 4.750 -29.925 5.693 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 12.333 -27.711 1.763 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 11.843 -27.149 1.131 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 13.272 -27.466 1.622 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 9.189 -19.987 -2.672 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 8.767 -19.120 -2.850 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 8.546 -20.639 -3.021 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 8.311 -23.095 -0.472 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 8.537 -23.923 0.014 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 9.164 -22.756 -0.769 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 7.738 -17.654 -2.919 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 6.894 -17.336 -3.327 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 8.439 -17.120 -3.369 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 9.972 -24.842 3.288 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 10.423 -25.265 4.053 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 10.553 -24.085 3.059 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 2.290 -21.989 3.312 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 1.432 -22.421 3.321 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 2.769 -22.389 4.073 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 9.629 -35.434 2.052 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 10.176 -36.036 2.600 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 9.547 -35.893 1.207 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 10.242 -29.989 1.202 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 10.349 -30.944 1.396 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.148 -29.664 1.093 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 15.989 -31.580 5.255 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 16.007 -32.033 4.388 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 16.330 -30.680 5.063 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.080 -27.400 1.366 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 15.837 -26.958 1.790 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 15.245 -28.354 1.522 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 15.739 -19.505 -0.238 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 15.597 -19.647 -1.198 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 16.686 -19.696 -0.103 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 6.969 -21.481 -3.487 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 6.803 -21.618 -4.427 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 6.689 -22.329 -3.067 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 3.064 -22.887 8.283 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 2.500 -22.080 8.278 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 3.975 -22.539 8.378 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.023 -25.987 7.523 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 4.235 -25.771 6.594 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 3.597 -26.855 7.473 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.990 -28.785 4.072 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 6.694 -29.342 4.821 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.402 -29.047 3.339 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 7.411 -31.866 9.628 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 7.034 -31.840 10.547 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 7.471 -32.819 9.431 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.488 -29.804 1.219 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.253 -28.877 1.004 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 8.447 -29.854 1.046 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 7.497 -25.979 3.987 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 8.380 -25.757 3.623 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 7.343 -26.901 3.694 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 9.683 -31.512 8.107 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 9.801 -32.458 7.894 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 8.829 -31.484 8.577 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 1.367 -33.984 7.791 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 1.874 -33.423 8.420 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 0.552 -33.485 7.633 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 3.207 -35.934 8.492 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 2.544 -35.256 8.245 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 2.758 -36.768 8.340 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 2.491 -16.961 -3.636 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 2.478 -16.162 -4.208 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 1.716 -16.837 -3.037 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 2.335 -21.373 -0.749 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 1.581 -21.026 -0.254 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 2.587 -20.635 -1.350 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 18.402 -19.887 0.582 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 18.625 -19.749 1.530 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 19.044 -19.349 0.108 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 19.170 -19.664 3.227 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 18.982 -20.512 3.698 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 20.059 -19.429 3.514 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 18.816 -24.651 2.793 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 18.539 -23.884 2.233 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 19.729 -24.438 3.055 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 14.914 -28.301 7.035 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 15.405 -28.562 6.229 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 15.595 -28.291 7.735 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 15.675 -29.936 2.245 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 16.505 -29.892 1.706 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 15.469 -30.894 2.284 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 16.381 -28.891 4.695 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 16.145 -29.097 3.764 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 17.025 -28.168 4.619 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 3.009 -30.311 5.205 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 2.089 -30.067 5.463 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 3.180 -31.138 5.698 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 16.099 -38.614 9.761 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 15.965 -39.528 10.040 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 15.465 -38.103 10.298 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 17.429 -30.746 7.520 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 17.666 -31.436 8.192 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 16.880 -31.225 6.869 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 8.982 -19.004 6.820 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 9.615 -19.121 6.083 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 8.390 -18.274 6.512 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 18.138 -35.748 6.473 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 17.511 -35.056 6.236 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 18.922 -35.560 5.913 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 13.903 -18.048 1.095 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 14.562 -18.642 0.657 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 14.426 -17.577 1.781 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 1.313 -19.323 1.407 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 0.493 -19.077 0.924 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 1.984 -18.700 1.061 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 5.704 -31.572 2.206 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 6.180 -32.418 2.287 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 6.350 -30.976 1.764 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.470 -35.711 7.161 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 13.813 -34.876 7.497 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 14.256 -36.312 7.165 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 7.424 -33.801 2.723 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 8.101 -34.462 2.481 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 7.049 -34.136 3.544 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 9.221 -34.298 8.046 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 9.852 -34.982 8.314 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 8.453 -34.446 8.627 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 0.538 -29.859 6.228 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 -0.368 -29.942 5.921 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 0.450 -29.694 7.189 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 18.646 -26.732 14.010 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 19.407 -26.715 14.643 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 18.861 -27.461 13.407 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 5.997 -29.714 8.806 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 6.480 -30.552 8.977 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 5.818 -29.735 7.843 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 3.951 -32.439 6.903 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 3.654 -32.394 7.834 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 3.804 -33.359 6.654 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 17.901 -24.136 14.237 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 18.723 -23.890 13.767 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 17.948 -25.117 14.288 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 16.564 -26.856 11.018 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 16.575 -27.595 11.635 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 16.594 -27.278 10.138 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 19.863 -31.357 11.154 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 19.675 -30.637 11.782 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 20.553 -30.985 10.568 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 2.106 -33.773 11.835 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 2.154 -34.662 12.237 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 1.530 -33.262 12.451 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 2.900 -32.659 9.561 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 2.592 -33.179 10.346 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 3.400 -31.915 9.957 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 7.550 -34.573 10.236 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 6.656 -34.959 10.375 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 7.727 -34.072 11.068 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 7.672 -25.284 37.202 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 7.542 -25.600 38.123 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 7.668 -24.302 37.284 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 16.101 -28.065 33.242 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 16.669 -28.865 33.298 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 15.911 -27.975 32.291 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.465 -24.270 37.082 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 17.402 -24.285 36.785 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 16.042 -24.988 36.563 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 16.469 -28.429 36.949 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 16.165 -27.657 36.432 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 15.826 -28.497 37.678 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 13.103 -21.299 34.732 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 13.863 -20.779 35.058 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 12.382 -20.646 34.655 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.613 -26.216 39.734 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 6.725 -26.562 39.976 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 7.836 -25.602 40.465 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 5.090 -27.098 40.413 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 5.073 -28.073 40.258 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 4.209 -26.798 40.102 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 5.214 -23.474 40.207 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.283 -24.181 40.858 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.440 -23.730 39.653 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 0.221 -24.328 38.088 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 0.110 -24.916 38.862 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 -0.541 -24.546 37.509 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 6.700 -27.508 35.934 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 6.090 -27.890 36.568 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 6.992 -26.675 36.353 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 17.522 -21.826 42.312 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 17.855 -20.978 42.615 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 17.898 -21.923 41.409 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 13.889 -24.048 40.209 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 13.760 -24.680 40.922 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 14.862 -24.022 40.086 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 16.795 -31.165 39.453 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 17.211 -31.842 38.900 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 17.542 -30.606 39.750 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 3.021 -24.323 38.739 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 2.943 -25.291 38.838 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 2.164 -24.057 38.362 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 19.619 -20.286 35.995 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 18.897 -19.702 35.645 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 19.306 -20.531 36.889 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 2.460 -26.947 39.448 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 1.618 -26.590 39.805 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 2.275 -27.902 39.315 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 15.549 -26.241 35.338 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 15.066 -25.506 34.909 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 15.788 -26.839 34.594 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 1.643 -29.625 39.335 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 1.490 -30.254 38.617 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 0.913 -29.809 39.972 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.625 -24.164 39.806 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.540 -24.216 38.827 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.170 -23.369 39.955 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 19.084 -24.358 36.262 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 19.389 -23.850 35.481 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 19.591 -25.199 36.217 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 12.152 -22.881 38.458 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 12.906 -23.194 39.012 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 11.361 -23.053 39.016 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 15.199 -21.755 37.559 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 15.452 -22.680 37.371 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 15.423 -21.270 36.731 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 6.063 -21.460 33.123 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.930 -21.045 33.127 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 5.518 -20.870 33.671 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.066 -27.899 43.350 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.601 -27.322 42.777 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 8.706 -28.242 44.001 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 12.058 -27.157 40.434 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 12.163 -28.041 40.031 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 11.582 -26.637 39.748 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 5.116 -30.511 42.886 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 5.959 -30.917 43.195 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 5.191 -29.571 43.150 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 10.205 -26.456 42.325 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 10.905 -26.680 41.677 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 10.456 -26.960 43.131 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 14.259 -28.265 41.803 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 13.473 -27.773 41.497 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 14.778 -28.411 40.988 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 4.474 -29.708 40.195 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 4.555 -30.182 41.042 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 3.546 -29.849 39.928 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 5.587 -34.345 42.674 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 6.452 -33.909 42.634 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 5.029 -33.724 43.185 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 7.150 -37.607 43.329 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 7.061 -38.586 43.304 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 8.065 -37.458 43.647 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 21.319 -18.799 34.319 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 20.763 -19.336 34.917 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 20.679 -18.183 33.892 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 20.422 -22.775 38.015 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 21.186 -23.354 38.104 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 19.793 -23.291 37.464 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 14.215 -23.846 34.246 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 13.926 -22.990 34.613 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 14.124 -23.736 33.297 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 -2.775 -27.070 34.968 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 -2.270 -26.290 35.261 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 -2.163 -27.528 34.330 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 15.862 -23.711 43.266 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 16.542 -23.096 42.903 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 15.141 -23.135 43.526 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 19.219 -27.851 42.584 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 18.860 -27.257 41.894 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 18.669 -27.662 43.364 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 18.510 -30.183 36.408 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 17.766 -29.555 36.595 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 18.112 -30.845 35.793 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 1.976 -36.585 42.775 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.315 -37.258 42.522 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 1.513 -36.030 43.428 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.939 -22.589 37.649 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 7.305 -22.119 38.233 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 8.019 -22.005 36.869 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 9.749 -23.418 39.564 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 9.217 -23.560 40.381 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 9.105 -23.051 38.918 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 10.897 -20.501 37.886 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 11.288 -21.375 38.083 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 11.660 -19.953 37.642 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 1.107 -19.147 36.943 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 0.242 -18.727 36.996 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 0.939 -20.078 37.231 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 8.446 -19.489 38.391 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 9.293 -19.992 38.315 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 7.873 -20.065 38.935 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.036 -17.151 38.084 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 9.461 -16.700 37.420 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 9.554 -17.979 38.289 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 17.502 -20.284 37.865 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 16.680 -20.779 38.066 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 17.269 -19.756 37.073 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 0.438 -21.711 37.306 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 0.334 -22.015 36.382 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 0.373 -22.533 37.831 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 18.325 -16.721 36.906 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 17.515 -16.244 37.188 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 17.987 -17.480 36.381 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 14.487 -31.190 45.781 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 15.056 -31.976 45.768 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.575 -31.558 45.727 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 8.391 -31.176 46.306 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 9.190 -30.952 45.764 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.729 -31.201 47.215 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.013 -30.189 50.020 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.875 -29.803 49.127 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 13.357 -29.753 50.568 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 12.475 -26.960 46.131 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.220 -27.086 45.488 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 12.441 -26.008 46.265 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 14.429 -27.339 44.365 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 14.252 -27.720 43.482 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.330 -26.964 44.282 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 6.699 -34.755 50.790 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 6.011 -34.330 51.342 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 6.202 -35.300 50.173 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 10.930 -33.091 49.225 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.858 -33.322 49.017 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 10.863 -32.143 48.986 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.208 -36.923 47.322 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 5.316 -36.603 47.584 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.654 -36.119 46.965 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 4.530 -33.604 52.157 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 3.903 -32.968 51.801 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 4.335 -33.630 53.099 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 7.336 -34.592 46.365 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 8.289 -34.397 46.500 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 6.925 -33.724 46.291 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 10.628 -28.165 44.451 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 10.696 -29.137 44.624 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 11.189 -27.762 45.145 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 8.421 -24.469 41.683 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 9.110 -25.074 42.037 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 7.693 -24.522 42.343 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 10.932 -30.666 47.890 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 11.704 -30.085 48.027 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 10.953 -30.858 46.924 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 17.689 -31.947 42.466 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 17.162 -32.335 41.755 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 17.084 -31.278 42.875 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 6.300 -24.995 43.329 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.948 -24.511 44.081 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 5.911 -25.886 43.415 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 10.004 -33.944 46.785 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 10.681 -33.400 46.316 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 10.149 -33.735 47.732 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 9.346 -35.314 50.043 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 9.805 -34.459 49.937 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 8.460 -35.072 50.390 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 11.003 -36.430 46.304 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 10.793 -36.910 47.135 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 10.601 -35.543 46.433 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 8.596 -34.257 42.975 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 9.443 -34.622 42.648 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 8.228 -34.971 43.518 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 3.748 -32.645 43.848 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 4.186 -31.812 43.555 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 2.901 -32.639 43.388 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 5.395 -27.713 43.142 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 5.264 -27.475 42.202 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 6.372 -27.836 43.227 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 10.241 -25.958 38.776 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 10.190 -25.040 39.128 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 9.358 -26.331 38.969 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 5.711 -31.402 46.872 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 6.651 -31.345 46.600 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 5.471 -30.493 47.078 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 16.772 -26.277 43.369 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 16.490 -25.334 43.413 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 16.921 -26.434 42.418 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 15.812 -30.234 43.411 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 15.352 -30.365 44.265 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 15.328 -29.504 42.990 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 15.450 -32.417 49.379 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 15.044 -31.581 49.703 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 14.717 -32.863 48.901 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 13.302 -29.236 47.549 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 13.794 -29.752 46.877 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 13.046 -28.414 47.080 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 19.616 -33.222 47.082 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 20.292 -32.505 47.069 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 19.208 -33.184 46.188 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 17.014 -33.935 47.688 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 16.551 -33.423 48.384 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 17.930 -33.600 47.714 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 3.896 -33.413 46.458 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 3.835 -33.231 45.493 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 4.559 -32.761 46.779 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 13.331 -33.551 47.862 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 13.534 -34.420 47.462 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 12.873 -33.058 47.138 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 10.372 -37.470 48.766 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 10.024 -36.714 49.306 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 10.948 -37.955 49.377 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 7.329 -31.952 43.823 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 7.723 -31.641 44.659 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 7.897 -32.707 43.557 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 6.277 -10.009 4.422 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 6.336 -9.864 5.389 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 6.338 -9.108 4.049 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 8.848 -14.031 0.113 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 9.769 -14.336 -0.044 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 8.294 -14.785 -0.185 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 0.428 -16.545 -1.923 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 -0.176 -15.822 -1.743 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 0.122 -17.265 -1.332 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 8.290 -8.085 2.506 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 7.687 -7.712 3.190 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 9.083 -7.545 2.572 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 4.883 -15.869 -0.883 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 5.819 -15.933 -0.593 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 4.717 -14.904 -0.950 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 6.589 -7.267 4.460 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 6.603 -7.604 5.382 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 5.837 -6.631 4.449 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 7.111 -9.744 0.707 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 7.616 -9.172 1.329 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 6.484 -9.144 0.295 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 4.135 -11.147 3.257 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 4.912 -10.782 3.739 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 3.645 -10.349 2.966 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 3.108 -8.602 3.133 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 3.456 -7.724 2.937 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 3.089 -8.638 4.123 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 4.465 -5.538 4.421 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 3.710 -5.675 5.036 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 4.530 -4.582 4.338 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 7.267 -17.063 5.789 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 7.234 -16.555 4.949 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 6.406 -16.903 6.195 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 5.450 -13.378 2.440 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 5.061 -12.561 2.824 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 5.974 -13.056 1.676 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 4.447 -13.185 -1.058 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 4.350 -12.668 -1.865 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 5.249 -12.807 -0.624 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 11.869 -11.938 4.761 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 12.644 -12.134 5.328 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 12.141 -12.231 3.882 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 2.797 -14.743 -5.235 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 2.222 -14.176 -5.756 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 3.635 -14.732 -5.706 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 11.202 -15.491 0.131 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 11.750 -15.414 0.932 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 11.709 -16.101 -0.452 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.225 -16.813 -3.443 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 5.085 -16.399 -2.568 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.319 -16.964 -3.778 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.794 -15.437 3.016 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 12.468 -14.718 3.032 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 10.933 -14.962 3.089 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 3.044 -8.508 5.798 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 3.026 -8.852 6.714 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.765 -7.578 5.889 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 6.685 -12.366 0.190 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 6.926 -11.424 0.370 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 7.553 -12.824 0.108 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 7.536 -16.365 -0.495 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 8.123 -16.842 0.130 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 7.661 -16.833 -1.347 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 6.912 -15.576 3.445 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 6.315 -14.863 3.138 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 7.806 -15.212 3.305 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 2.262 -5.822 6.022 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 2.045 -6.129 6.939 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 1.462 -5.373 5.731 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.453 -11.587 5.902 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.900 -11.673 5.103 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 10.369 -11.751 5.575 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 10.991 -19.548 4.991 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 11.243 -19.069 4.168 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.623 -19.222 5.657 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 9.336 -14.096 2.839 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 9.022 -13.236 3.192 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 9.122 -14.053 1.884 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 12.551 -16.621 -3.877 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 13.392 -16.157 -3.975 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.535 -16.890 -2.930 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 13.806 -13.594 3.307 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 13.880 -13.544 4.281 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 14.653 -13.217 2.989 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 1.444 -6.967 8.299 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 1.959 -7.773 8.498 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 0.511 -7.275 8.285 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 9.294 -9.520 7.617 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.156 -9.100 7.508 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 9.335 -10.312 7.023 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 8.271 -11.572 3.360 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 7.461 -11.143 3.715 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 8.606 -10.938 2.711 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 14.171 -12.810 5.937 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.334 -13.384 6.706 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 15.012 -12.331 5.821 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.307 -15.857 10.649 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 8.168 -15.428 11.516 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.706 -15.156 10.095 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 11.126 -16.265 8.766 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 10.436 -15.569 8.728 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 11.851 -15.850 9.264 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 15.828 -14.459 7.651 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 16.246 -14.486 8.541 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 15.575 -15.373 7.482 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 10.271 -18.924 9.266 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 9.755 -19.043 8.437 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 10.532 -17.979 9.245 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 1.208 -12.189 2.220 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 0.351 -12.661 2.196 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 1.806 -12.747 1.680 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 13.341 -16.758 5.029 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.669 -16.256 4.535 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 14.085 -16.843 4.397 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.979 -17.541 0.122 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.842 -18.091 -0.679 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 3.658 -16.885 -0.157 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 3.063 -13.888 1.204 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 3.330 -13.659 0.287 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 3.906 -13.865 1.707 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 15.299 -16.758 3.103 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 15.964 -17.304 3.589 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 15.754 -15.923 2.939 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 16.304 -12.387 3.401 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 16.647 -12.473 4.314 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 16.793 -11.647 3.032 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 9.781 -16.202 -3.998 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 9.743 -15.322 -4.382 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 10.738 -16.405 -3.955 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 3.166 -19.140 -2.084 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 2.946 -18.496 -2.793 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 4.143 -19.202 -2.110 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 9.545 -17.471 0.981 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 10.101 -17.842 1.697 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 10.053 -16.691 0.668 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 12.583 -17.455 -1.237 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 12.336 -18.334 -1.603 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 13.135 -17.670 -0.450 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 16.638 -9.451 20.467 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 16.549 -10.213 19.855 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 17.588 -9.449 20.709 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 4.704 -8.558 21.663 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 5.147 -9.268 22.155 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.751 -8.710 21.829 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 -0.928 -10.298 15.626 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 -0.342 -10.057 16.382 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 -1.600 -9.577 15.607 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 0.522 -9.618 17.832 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 0.206 -9.429 18.743 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 1.419 -9.275 17.821 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 22.380 -15.288 18.201 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 21.831 -15.743 17.513 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 22.301 -15.871 18.988 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 14.087 -14.861 17.753 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 14.978 -14.497 17.936 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 14.196 -15.324 16.900 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 5.484 -13.944 12.924 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.440 -14.165 13.020 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 5.206 -13.693 13.826 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 19.204 -14.408 16.895 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 19.756 -13.714 16.492 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 19.711 -15.238 16.734 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 8.760 -11.429 17.422 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 8.133 -10.670 17.496 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 9.118 -11.532 18.333 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 19.800 -14.655 22.749 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 19.403 -13.846 22.362 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 19.614 -14.573 23.698 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 2.107 -13.621 20.253 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 1.584 -13.558 19.419 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 1.447 -13.442 20.960 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 9.584 -12.065 11.334 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 9.240 -12.348 12.193 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 10.555 -11.955 11.490 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 19.236 -9.784 21.319 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 19.853 -9.728 22.079 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 19.770 -10.203 20.603 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 15.981 -11.776 23.276 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.618 -10.871 23.160 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 15.580 -12.292 22.542 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 7.018 -9.342 17.577 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 6.759 -8.738 18.309 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 6.378 -9.160 16.886 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 17.134 -13.903 12.602 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 17.687 -13.258 13.089 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 17.247 -14.741 13.102 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 2.159 -9.439 22.206 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 1.382 -9.313 21.619 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 2.463 -10.350 22.012 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 4.456 -12.377 10.806 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.755 -12.974 11.524 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 5.144 -11.705 10.759 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 19.113 -12.987 24.965 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 19.662 -12.353 25.472 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 19.009 -12.566 24.088 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 3.881 -15.581 20.973 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 3.369 -16.389 20.874 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 3.324 -14.889 20.554 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 3.426 -11.907 22.018 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.070 -12.285 22.850 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 3.108 -12.520 21.322 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 9.041 -13.129 15.198 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 9.985 -12.966 15.371 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 8.586 -12.678 15.938 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.228 -11.895 11.929 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 12.534 -11.380 12.681 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 13.004 -12.452 11.690 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 11.087 -11.046 22.398 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 11.372 -10.444 23.113 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 10.167 -11.278 22.632 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 15.674 -15.880 15.667 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 16.273 -16.104 14.929 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 16.227 -15.365 16.275 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 0.308 -12.930 22.161 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 -0.162 -12.093 21.963 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 -0.409 -13.598 22.198 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 5.073 -15.720 8.918 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 5.140 -15.978 9.865 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 5.828 -15.140 8.778 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 10.337 -11.734 19.652 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 10.707 -11.462 20.515 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 10.767 -12.587 19.465 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 9.097 -17.088 14.399 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 9.881 -17.665 14.286 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 9.102 -16.862 15.337 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 8.053 -14.804 13.283 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 8.371 -15.663 13.640 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 8.389 -14.140 13.932 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 2.404 -11.904 9.018 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 3.146 -12.122 9.630 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 1.604 -11.947 9.588 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 5.806 -6.920 26.907 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 5.289 -7.754 26.916 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 5.153 -6.239 26.717 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 11.525 -14.029 18.213 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 12.410 -14.388 18.001 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 11.347 -13.397 17.492 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 4.364 -18.298 13.140 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 3.478 -17.956 12.913 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 4.205 -18.904 13.874 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 5.958 -11.049 22.427 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 5.069 -11.461 22.296 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 6.383 -11.124 21.561 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 14.479 -13.486 11.637 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 14.198 -14.390 11.413 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 15.380 -13.598 11.998 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 17.266 -14.788 9.996 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 17.211 -14.300 10.848 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 18.126 -14.499 9.608 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 5.980 -7.670 19.463 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 5.473 -8.030 20.230 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 6.187 -6.768 19.722 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 2.302 -9.682 24.999 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 2.297 -9.329 24.085 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 2.173 -10.654 24.875 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 10.641 -13.013 24.774 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 9.824 -12.749 24.302 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 11.351 -12.780 24.164 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 20.549 -14.179 12.852 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 20.005 -14.979 12.793 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 19.935 -13.495 13.194 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 20.773 -9.867 23.631 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 20.654 -10.282 24.516 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 21.654 -10.194 23.332 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 3.020 -9.256 8.433 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 2.766 -10.174 8.664 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 3.942 -9.173 8.757 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 2.732 -21.002 20.082 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 2.037 -21.692 20.124 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 2.625 -20.616 19.208 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 5.604 -8.824 9.342 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.663 -8.043 9.904 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.357 -9.391 9.636 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 11.270 -11.938 16.454 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 10.400 -11.594 16.762 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 11.904 -11.274 16.747 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 5.352 -16.316 11.538 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 5.049 -17.019 12.151 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 5.341 -15.502 12.082 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 16.388 -11.857 19.176 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 15.963 -12.262 19.958 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 16.520 -12.604 18.566 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.761 -8.730 6.828 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 6.219 -8.700 7.643 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 7.663 -8.943 7.148 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 11.034 -7.040 25.787 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 10.106 -7.112 26.095 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 11.249 -6.110 25.899 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -0.491 -7.783 24.202 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -1.009 -8.519 24.604 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 0.410 -7.950 24.488 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 7.855 -10.264 9.888 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 8.431 -10.018 9.134 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 8.422 -10.834 10.446 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 8.637 -11.772 23.398 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 7.716 -11.963 23.160 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 8.578 -10.969 23.960 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 9.543 -13.887 9.181 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 9.362 -13.376 8.379 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 9.644 -13.207 9.882 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 8.790 -9.621 25.080 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 9.767 -9.661 24.973 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 8.645 -8.826 25.635 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 6.146 -10.505 25.114 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 6.064 -10.673 24.150 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 7.078 -10.218 25.227 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 16.416 -13.072 25.626 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 16.177 -12.593 24.801 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 17.392 -13.128 25.591 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 15.285 -9.163 22.761 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.395 -8.895 22.511 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 15.783 -9.176 21.906 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 18.237 -17.175 11.048 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 19.190 -16.913 11.003 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 17.767 -16.437 10.604 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 16.760 -14.350 17.973 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 16.932 -14.764 18.847 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 17.652 -14.315 17.546 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 -0.970 -6.796 21.740 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 -0.859 -7.177 22.643 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 -1.157 -5.869 21.898 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 19.360 -7.634 24.436 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 19.819 -8.473 24.206 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 19.678 -7.005 23.779 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 16.652 -8.219 24.983 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 16.144 -8.584 24.227 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 17.553 -8.104 24.632 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.950 -12.454 6.081 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.600 -12.015 6.640 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 16.677 -13.242 6.603 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 17.655 -16.379 13.671 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 18.462 -16.734 14.123 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 17.664 -16.819 12.800 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.407 -13.455 21.205 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 16.133 -14.095 21.059 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 14.593 -14.011 21.173 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 18.530 -12.246 22.377 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 17.610 -12.110 22.692 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 18.742 -11.421 21.900 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 3.908 -14.589 23.498 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 3.998 -14.976 22.598 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 4.833 -14.398 23.771 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 0.424 -13.426 18.117 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 -0.023 -12.634 17.798 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 -0.151 -14.170 17.806 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 19.668 -14.226 8.841 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 20.012 -14.698 8.077 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 20.467 -14.030 9.381 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 14.665 -15.674 35.938 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 15.367 -15.414 36.567 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 13.964 -16.047 36.504 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 0.694 -10.440 27.150 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 1.182 -10.001 26.426 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 1.394 -10.902 27.663 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 19.767 -15.353 38.819 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 19.169 -14.585 38.911 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 19.270 -15.978 38.256 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 14.496 -11.393 38.018 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.818 -12.098 38.124 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 14.068 -10.737 37.456 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 8.302 -16.330 33.773 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 8.353 -17.242 33.450 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 8.653 -15.791 33.030 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 21.584 -11.862 39.641 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 21.620 -11.053 40.197 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 20.987 -11.617 38.902 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 3.711 -18.350 36.680 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 3.803 -17.659 37.338 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 2.781 -18.653 36.776 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.661 -14.087 33.262 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 6.951 -14.894 33.714 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 7.406 -13.868 32.673 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 10.113 -20.325 34.200 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 9.662 -19.794 33.523 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 9.434 -20.452 34.892 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 8.972 -14.504 31.759 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 8.840 -14.079 30.884 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 9.936 -14.400 31.931 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 11.522 -9.576 24.817 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 11.990 -10.003 25.565 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 11.514 -8.621 25.057 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 13.997 -14.280 33.700 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 14.359 -14.879 34.397 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 13.434 -13.650 34.207 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 12.728 -10.580 27.157 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 13.201 -9.819 27.515 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 13.358 -11.331 27.274 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 4.653 -10.272 29.385 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 4.638 -9.871 28.488 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 4.528 -9.528 29.981 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 7.815 -20.383 35.823 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 8.001 -19.861 36.631 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 7.005 -19.973 35.455 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 13.565 -19.477 37.298 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 13.773 -20.303 37.777 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 14.316 -19.372 36.675 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.170 -15.310 39.510 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 13.678 -15.949 38.939 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 13.880 -15.522 40.405 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 14.515 -12.616 27.503 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 14.138 -13.501 27.499 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.267 -12.673 26.867 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 4.000 -14.801 29.172 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 4.330 -14.872 30.093 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 4.810 -14.773 28.626 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 11.667 -14.137 32.047 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 12.408 -14.369 32.635 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 12.053 -13.531 31.407 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 12.406 -13.003 35.540 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 11.448 -12.974 35.456 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 12.556 -13.200 36.488 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 4.343 -17.816 32.333 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 4.589 -16.885 32.154 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 4.451 -18.259 31.470 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 1.935 -16.255 28.256 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 1.987 -16.078 27.305 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 2.751 -15.841 28.621 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 8.335 -15.848 36.436 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 7.564 -15.281 36.493 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 8.388 -16.085 35.481 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 4.417 -9.286 26.801 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 3.582 -9.325 26.286 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 5.071 -9.749 26.226 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 8.863 -13.439 29.224 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 8.972 -14.354 28.894 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 9.461 -12.904 28.646 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 12.640 -13.400 38.295 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 13.308 -14.002 38.685 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 11.785 -13.730 38.658 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 4.709 -12.509 26.402 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 5.298 -12.602 27.192 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 5.162 -11.842 25.846 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 16.733 -8.648 27.677 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 17.418 -7.970 27.782 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 16.506 -8.610 26.723 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 12.802 -16.878 37.763 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 11.822 -16.909 37.836 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 13.058 -17.813 37.594 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 16.434 -15.068 37.983 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 17.044 -14.401 38.365 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.695 -15.112 38.627 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 16.791 -12.117 36.530 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 15.975 -11.859 36.996 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 17.233 -12.723 37.145 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 2.715 -11.884 28.254 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 3.275 -12.217 27.523 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 3.347 -11.434 28.849 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 5.395 -19.190 34.629 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 5.036 -18.677 33.875 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 4.793 -18.970 35.375 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 8.481 -7.415 26.773 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 8.621 -7.474 27.724 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 7.533 -7.153 26.686 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 6.293 -12.536 28.548 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 5.998 -11.843 29.165 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 7.174 -12.801 28.884 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 10.495 -12.220 27.412 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 10.519 -12.596 26.506 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 11.212 -11.556 27.411 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 18.831 -6.781 27.041 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 18.202 -6.081 26.837 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 19.019 -7.196 26.171 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 6.405 -21.186 39.422 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 5.623 -20.659 39.222 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 6.039 -22.014 39.826 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 19.776 -9.073 30.570 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 19.219 -8.854 31.349 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 20.277 -9.868 30.858 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 19.200 -8.846 33.260 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 19.940 -8.401 33.687 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 18.922 -9.526 33.909 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 21.020 -7.696 28.512 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 20.296 -7.303 27.977 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.553 -8.139 29.254 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 18.697 -10.952 34.978 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 18.777 -11.606 34.251 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 17.934 -11.278 35.508 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 20.876 -11.316 31.657 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 20.183 -11.584 32.296 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 20.806 -11.985 30.943 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 22.250 -9.527 40.836 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 23.174 -9.617 40.560 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 22.275 -8.878 41.544 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 4.596 -15.124 31.851 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 3.756 -14.981 32.328 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 5.263 -14.632 32.381 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 19.207 -17.242 33.555 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 18.736 -16.664 32.912 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 18.486 -17.678 34.060 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 10.539 -14.791 39.399 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 10.370 -15.634 38.924 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 9.830 -14.740 40.045 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.445 -48.300 22.643 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 23.166 -47.654 21.950 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 24.400 -48.354 22.541 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 21.858 -44.745 13.144 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 22.680 -44.262 13.331 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 21.287 -44.546 13.911 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 24.855 -43.377 19.239 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 24.506 -44.286 19.161 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 24.865 -43.053 18.327 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 21.635 -41.597 18.183 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 20.816 -41.927 17.770 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 21.880 -40.819 17.640 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 20.573 -43.513 15.262 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 20.867 -42.671 14.860 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 19.879 -43.244 15.900 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 24.895 -43.975 16.216 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 24.381 -43.561 15.492 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 25.787 -44.042 15.863 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 23.768 -45.652 18.129 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 22.852 -45.737 17.791 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 24.250 -45.215 17.396 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 25.205 -34.162 26.035 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 25.576 -33.347 25.660 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 25.569 -34.200 26.948 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 22.327 -43.222 27.219 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 22.228 -42.817 28.096 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 23.240 -42.975 26.944 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 22.780 -46.952 25.029 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 22.920 -47.649 24.358 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 23.531 -46.329 24.885 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 23.712 -41.572 24.138 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 23.914 -41.893 25.035 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 24.143 -40.692 24.097 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 27.486 -42.944 22.885 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 28.435 -42.802 22.908 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 27.147 -42.418 23.643 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 23.365 -34.101 17.707 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 24.217 -34.512 17.453 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 22.836 -34.844 18.051 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 24.117 -43.540 22.319 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 24.499 -43.209 21.491 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 24.054 -42.737 22.894 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 21.224 -45.292 17.218 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 21.130 -44.751 16.401 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 20.891 -44.718 17.921 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 21.470 -43.946 22.907 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 22.441 -43.843 22.834 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 21.133 -43.636 22.035 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 23.070 -46.405 20.715 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 23.359 -46.288 19.788 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 22.848 -45.512 21.009 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 21.566 -41.107 14.341 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 21.767 -40.511 15.095 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 20.832 -40.660 13.874 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 23.764 -42.759 13.924 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 22.987 -42.174 14.077 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 24.264 -42.311 13.233 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 21.866 -39.392 16.489 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 21.101 -38.788 16.477 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 22.645 -38.794 16.393 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 26.474 -41.697 20.654 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 26.836 -42.178 21.425 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 26.028 -42.387 20.128 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 19.360 -39.345 13.673 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 19.450 -38.813 14.485 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 19.234 -38.690 12.972 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 20.294 -43.103 25.229 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 21.021 -43.121 25.882 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 20.738 -43.274 24.373 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 21.705 -45.886 27.350 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 22.122 -46.401 26.625 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 21.993 -44.961 27.181 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 20.306 -46.075 24.141 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 20.656 -45.248 23.741 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 21.105 -46.538 24.462 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 24.840 -45.286 24.364 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 25.741 -45.021 24.569 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 24.600 -44.738 23.587 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 18.985 -46.889 17.584 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 19.836 -46.518 17.273 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 19.079 -47.838 17.456 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 26.799 -41.305 24.952 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 27.134 -40.834 25.748 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 26.269 -40.622 24.480 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 25.578 -36.308 22.053 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 25.064 -37.060 21.707 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 25.652 -36.490 23.010 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 25.218 -39.304 23.950 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 24.936 -39.035 23.050 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 25.378 -38.456 24.414 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 21.510 -35.737 15.408 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 20.725 -36.231 15.129 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 21.529 -35.850 16.385 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 19.745 -36.268 11.212 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 18.881 -36.603 11.521 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 19.860 -35.434 11.682 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 21.171 -48.346 39.804 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 21.158 -47.504 40.301 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 22.124 -48.508 39.631 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 22.803 -42.067 34.407 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 23.413 -42.566 33.831 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 21.988 -41.955 33.850 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 16.143 -46.344 28.763 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 16.942 -45.830 28.990 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 16.268 -46.577 27.821 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 18.295 -44.702 34.556 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 18.982 -45.366 34.800 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 18.614 -44.322 33.717 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 19.969 -46.516 35.628 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 20.897 -46.292 35.798 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 19.779 -47.247 36.256 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 23.812 -48.423 38.997 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 24.766 -48.518 39.059 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 23.684 -47.557 38.540 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 21.657 -40.601 40.827 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 21.382 -39.681 41.010 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 21.178 -41.132 41.504 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 22.876 -47.300 33.827 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 22.862 -46.513 34.399 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 22.716 -48.046 34.445 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 23.190 -42.928 40.549 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 22.748 -43.531 39.912 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 22.676 -42.097 40.485 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 23.275 -46.101 37.755 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 23.058 -45.833 36.844 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 22.704 -45.529 38.312 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 21.490 -44.599 39.163 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 21.130 -45.096 39.934 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.696 -44.348 38.649 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 24.411 -41.451 42.691 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 24.685 -40.587 42.317 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 24.182 -41.986 41.910 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 22.135 -48.856 36.024 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 21.208 -48.900 36.322 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 22.647 -49.066 36.815 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 20.523 -42.202 42.751 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 21.143 -42.929 42.956 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 19.658 -42.659 42.617 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 22.396 -44.304 42.782 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 22.807 -43.836 42.020 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 23.143 -44.573 43.326 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 22.652 -42.945 30.347 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 22.039 -43.679 30.139 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 23.200 -43.296 31.076 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 22.401 -44.988 35.359 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 21.789 -44.832 34.600 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 22.727 -44.102 35.583 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 24.845 -40.626 28.885 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 24.151 -40.148 28.385 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 24.501 -40.653 29.798 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 18.363 -43.786 42.290 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 17.522 -43.987 42.721 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 18.229 -44.067 41.358 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 21.081 -44.679 33.013 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 20.782 -45.477 32.535 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 20.558 -43.942 32.606 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 19.058 -45.913 26.596 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 19.326 -45.858 25.653 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 19.907 -45.945 27.077 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.703 -44.115 32.615 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 22.766 -44.386 32.741 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.199 -44.939 32.694 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 21.701 -39.354 33.326 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 20.971 -38.708 33.162 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 21.257 -40.236 33.255 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 23.123 -40.337 31.155 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 22.833 -41.266 31.008 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 22.616 -40.051 31.946 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 21.147 -45.258 29.921 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 21.379 -45.574 29.018 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 20.178 -45.137 29.889 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 26.917 -39.839 27.239 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 26.813 -38.881 27.208 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 26.304 -40.124 27.948 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 22.322 -36.222 31.481 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 22.395 -35.915 30.554 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 23.043 -36.875 31.572 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 23.366 -40.478 45.076 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 22.565 -40.130 44.629 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 23.893 -40.872 44.345 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 27.781 -34.924 31.158 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 28.348 -35.367 31.797 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 27.429 -35.656 30.603 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 20.805 -46.062 41.347 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 20.003 -46.411 41.781 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 21.215 -45.486 42.026 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 24.799 -42.255 26.628 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 24.946 -41.779 27.472 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 25.613 -42.085 26.112 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 18.848 -48.017 42.082 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 18.033 -48.527 41.857 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 19.548 -48.463 41.583 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 20.893 -47.231 31.938 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 21.658 -47.420 32.531 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 21.296 -46.829 31.146 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 26.333 -36.869 29.901 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 25.831 -37.156 29.102 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 25.822 -37.252 30.649 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 19.397 -43.819 37.488 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 20.037 -43.126 37.192 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 19.044 -44.183 36.661 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 19.694 -48.530 37.503 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 18.774 -48.687 37.797 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 20.213 -48.520 38.340 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.777 -39.871 44.200 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.569 -40.712 43.732 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 20.321 -39.958 45.064 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 24.925 -38.942 41.653 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 25.027 -38.825 40.702 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 25.257 -38.100 42.035 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 20.672 -37.967 41.372 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 19.788 -38.205 41.021 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 20.913 -37.160 40.872 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 22.525 -40.201 38.266 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 22.206 -39.268 38.217 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 22.326 -40.467 39.189 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 21.179 -41.960 36.663 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 21.640 -41.344 37.273 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 21.700 -41.914 35.839 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 22.082 -37.657 35.470 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 21.797 -38.201 34.707 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 22.810 -38.172 35.862 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 23.918 -39.698 35.857 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 23.649 -40.405 35.240 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 23.656 -40.036 36.738 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.782 -32.616 29.335 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 28.065 -33.117 30.117 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 27.054 -33.154 28.962 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 21.853 -35.887 53.577 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 22.282 -35.282 54.190 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.138 -35.571 52.687 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 23.411 -37.058 49.358 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.318 -36.589 50.205 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 23.648 -36.354 48.723 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 25.118 -36.448 42.898 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.207 -36.726 43.114 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 25.357 -35.851 43.615 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 21.896 -42.010 46.780 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 22.489 -42.599 47.258 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 22.490 -41.515 46.167 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 18.888 -36.656 49.719 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 18.015 -37.019 49.442 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 18.863 -36.694 50.705 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 20.992 -37.879 48.411 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 20.290 -37.450 48.947 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 21.823 -37.655 48.880 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 19.456 -43.232 45.949 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 18.841 -42.883 46.614 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 20.311 -42.826 46.177 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 16.595 -37.934 48.969 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 15.720 -37.793 48.549 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 16.415 -38.587 49.678 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.534 -34.939 51.094 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.994 -34.102 50.882 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 21.788 -34.965 50.458 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 17.433 -39.482 46.820 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 18.411 -39.546 46.757 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 17.281 -38.854 47.551 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.798 -37.935 43.225 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 22.022 -38.011 42.635 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 23.466 -38.519 42.815 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 19.822 -28.378 4.083 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 19.727 -29.066 4.783 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.288 -27.636 4.541 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 20.020 -25.799 8.063 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 20.007 -26.446 8.799 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 19.834 -24.938 8.497 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 17.232 -24.136 4.964 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 17.786 -24.415 4.203 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 17.373 -24.843 5.634 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.912 -23.706 4.594 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 21.474 -23.438 5.350 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 20.243 -22.994 4.532 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 21.957 -23.487 7.169 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 22.211 -23.305 8.096 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 21.811 -24.443 7.151 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 15.783 -24.102 9.136 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 16.195 -23.264 8.860 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 16.376 -24.438 9.831 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 17.638 -26.194 6.703 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 17.274 -26.873 7.299 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.520 -26.002 7.078 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 20.881 -26.323 5.457 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 20.579 -26.172 6.375 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 20.898 -25.428 5.059 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 17.151 -18.197 4.514 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 17.326 -18.583 5.396 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 17.805 -18.630 3.934 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 17.743 -24.403 11.213 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 18.538 -24.385 11.791 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 17.412 -25.328 11.291 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 17.219 -28.255 8.591 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 17.300 -29.169 8.225 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 18.070 -28.116 9.070 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 21.172 -33.623 7.154 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.868 -34.059 6.334 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 20.700 -34.104 7.868 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 20.441 -30.087 2.060 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.289 -29.883 1.650 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 20.338 -29.401 2.760 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.666 -30.376 5.923 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.472 -30.541 6.460 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 18.929 -30.465 6.564 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 17.984 -29.511 0.989 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.013 -28.588 1.303 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 18.871 -29.864 1.201 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 19.918 -21.556 7.310 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 20.821 -21.903 7.172 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 19.578 -22.081 8.069 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 30.384 -23.476 15.312 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 30.156 -23.221 16.233 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 30.116 -22.719 14.785 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 31.482 -25.808 16.295 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 32.313 -25.983 15.809 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 31.088 -25.040 15.826 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 34.644 -19.018 17.929 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 35.350 -18.378 17.812 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 33.904 -18.661 17.399 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 19.569 -29.484 15.372 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 20.116 -28.663 15.499 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 18.897 -29.423 16.057 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 26.504 -21.127 16.715 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.752 -20.706 17.165 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 26.873 -21.741 17.385 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 20.264 -32.135 15.932 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 21.115 -32.438 15.578 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 20.220 -31.191 15.672 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 25.346 -29.763 15.933 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 25.386 -29.243 15.120 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 26.279 -29.828 16.223 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.373 -20.844 7.942 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.795 -21.435 7.313 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 24.989 -20.077 8.004 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.690 -32.564 15.717 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.432 -31.628 15.853 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.455 -32.742 14.785 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 33.913 -26.071 15.035 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 34.406 -25.256 14.888 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 34.591 -26.740 15.162 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 25.567 -35.198 16.506 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 26.445 -35.488 16.779 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 25.705 -34.272 16.195 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 33.216 -20.923 19.323 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 32.473 -20.807 18.694 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 33.945 -20.397 18.927 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 29.468 -26.763 20.144 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 29.158 -27.647 20.443 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.669 -26.349 19.752 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 29.921 -22.862 17.917 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 29.012 -22.762 18.299 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 30.295 -23.639 18.386 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 27.719 -18.769 15.970 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 28.140 -18.795 16.856 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 27.211 -19.608 15.932 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.117 -28.145 13.475 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 22.341 -29.053 13.793 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 21.834 -27.668 14.297 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 29.840 -17.729 12.787 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 29.966 -17.967 11.865 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 28.870 -17.615 12.876 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 25.380 -36.678 24.776 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 24.418 -36.619 24.584 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 25.550 -35.910 25.357 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 23.252 -29.669 20.184 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 22.895 -30.536 19.895 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 23.399 -29.178 19.348 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 22.702 -30.695 14.077 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 22.719 -31.562 14.514 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 23.577 -30.629 13.644 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 27.303 -27.195 23.113 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 28.080 -26.611 22.978 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 27.172 -27.195 24.087 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 21.539 -29.807 9.599 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 21.827 -30.195 8.744 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 22.383 -29.586 10.062 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 29.424 -25.530 22.600 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 29.695 -26.081 21.835 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 29.431 -24.615 22.244 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.607 -30.519 13.926 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 28.441 -30.118 13.597 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 27.786 -30.692 14.874 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 19.673 -29.015 12.670 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 19.507 -29.365 13.575 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 20.604 -28.697 12.709 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.154 -30.647 12.811 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.076 -30.500 13.132 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 25.097 -31.616 12.694 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.688 -33.337 13.236 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.606 -34.049 12.591 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.891 -33.430 13.801 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 32.389 -22.638 23.403 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 31.428 -22.600 23.530 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 32.496 -22.851 22.451 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 27.802 -30.830 16.644 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 27.377 -31.699 16.720 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.295 -30.728 17.494 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 22.695 -33.301 15.151 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.073 -33.324 16.060 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 22.207 -34.153 15.076 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 28.863 -30.778 19.148 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 29.225 -30.041 19.661 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.209 -31.187 19.750 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 22.402 -25.376 13.403 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.643 -25.444 14.352 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 22.436 -26.295 13.088 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 24.713 -23.895 23.643 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.409 -23.118 23.141 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 25.176 -24.443 22.980 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 24.980 -29.904 22.278 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 24.285 -29.858 21.573 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 25.028 -29.003 22.619 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 29.684 -22.984 21.608 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 30.577 -23.011 21.191 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 29.170 -22.369 21.033 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 31.242 -25.056 18.933 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 31.413 -25.421 18.033 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 30.741 -25.769 19.387 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 19.569 -28.011 9.969 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 19.456 -28.186 10.921 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.285 -28.632 9.697 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 23.897 -28.217 17.769 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 23.532 -27.517 17.181 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.328 -28.842 17.155 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 27.116 -17.494 13.345 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 27.178 -17.976 14.193 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 26.464 -16.784 13.521 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 27.189 -25.397 19.211 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 26.840 -25.703 18.364 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 27.312 -24.424 19.083 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 28.582 -20.149 22.862 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 28.472 -20.444 21.926 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 28.816 -20.962 23.342 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.108 -24.035 12.652 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 20.899 -24.544 12.951 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 20.439 -23.112 12.558 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 23.564 -29.056 11.210 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 24.249 -29.579 11.676 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.133 -28.542 11.918 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 26.155 -18.820 8.208 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.325 -18.475 9.115 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.712 -18.280 7.644 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 28.386 -28.977 21.314 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 27.931 -29.845 21.301 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 27.936 -28.482 22.028 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 26.551 -17.583 10.610 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.809 -17.700 11.547 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 25.933 -16.841 10.627 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 22.080 -23.389 10.041 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 22.298 -22.443 10.210 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 22.413 -23.852 10.821 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 22.026 -31.083 7.236 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 22.906 -31.175 6.858 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 21.684 -32.014 7.279 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 25.470 -17.120 24.952 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 25.861 -17.697 24.268 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 25.307 -16.275 24.486 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 29.587 -22.533 24.270 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 29.455 -22.836 23.346 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 29.346 -23.316 24.815 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 27.169 -27.130 25.822 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 27.388 -27.018 26.771 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 26.655 -27.966 25.800 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 32.224 -23.107 20.662 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 32.690 -22.399 20.160 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 32.089 -23.822 19.999 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 29.985 -29.256 13.537 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 30.581 -28.893 12.876 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 30.295 -28.881 14.370 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.847 -31.783 24.206 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 25.928 -32.558 23.608 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 25.433 -31.095 23.643 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 22.547 -32.369 19.711 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 22.897 -32.757 18.887 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 22.494 -33.126 20.323 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.753 -25.476 21.627 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 26.204 -25.465 20.759 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 26.218 -26.177 22.129 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 25.703 -33.601 22.123 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 24.824 -33.457 21.751 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 25.813 -34.581 22.101 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.998 -31.358 21.112 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 26.211 -30.850 21.405 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 26.812 -32.272 21.411 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 24.553 -37.340 27.970 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.883 -36.667 28.215 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.027 -38.077 27.604 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 22.604 -35.543 28.821 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 21.726 -35.715 28.414 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 22.841 -34.641 28.498 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.448 -23.350 9.327 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 18.835 -23.572 10.057 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.322 -23.250 9.768 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 32.174 -18.025 23.403 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 32.829 -18.000 24.138 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 31.306 -18.095 23.859 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 31.044 -20.634 25.685 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 30.448 -21.294 25.266 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 31.872 -21.128 25.841 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 31.125 -20.470 17.551 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 30.307 -19.993 17.811 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 30.848 -21.412 17.524 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 18.322 -32.593 9.254 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 18.755 -33.457 9.106 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 18.828 -32.196 9.995 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 23.678 -37.371 15.985 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 23.060 -36.753 15.557 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 24.455 -36.822 16.194 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 19.518 -35.035 8.791 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 18.953 -35.526 8.162 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 19.651 -35.661 9.536 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 17.911 -19.664 6.867 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 18.817 -19.991 7.027 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 17.345 -20.348 7.252 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 20.516 -28.805 35.096 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 20.369 -28.920 34.131 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.770 -29.287 35.510 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 22.547 -20.671 36.251 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 22.579 -20.037 35.513 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 21.624 -20.629 36.561 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 20.448 -29.224 32.405 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 19.843 -28.932 31.688 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 21.296 -28.762 32.207 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 33.315 -22.431 28.725 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 32.983 -22.300 27.826 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 32.857 -23.250 29.033 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 22.912 -28.122 32.077 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 23.509 -27.347 32.155 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 23.300 -28.650 31.340 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.308 -25.631 36.267 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 23.096 -24.752 35.894 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.436 -26.007 36.503 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 20.644 -35.566 39.780 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 21.199 -34.793 39.518 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 19.740 -35.279 39.595 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 22.618 -31.619 33.885 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 22.732 -32.283 34.598 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 22.950 -30.784 34.280 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 25.064 -37.613 34.443 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.789 -36.870 34.991 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.806 -38.404 34.963 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.536 -23.238 35.158 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 21.627 -23.122 34.808 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.724 -22.392 35.613 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 30.436 -22.748 34.962 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.578 -22.861 35.427 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 30.500 -23.526 34.396 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 22.500 -33.604 35.783 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.208 -34.295 35.146 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 21.663 -33.195 36.093 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 29.254 -26.821 33.280 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 28.734 -27.462 32.795 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.619 -26.404 33.888 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 14.921 -29.144 39.232 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 14.015 -29.494 39.287 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 15.495 -29.939 39.309 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 19.950 -22.542 34.446 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 19.527 -22.364 33.595 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 19.748 -21.745 34.987 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 29.010 -19.256 27.846 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 28.331 -19.936 28.044 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 29.689 -19.397 28.513 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 23.189 -18.877 32.220 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 23.967 -19.029 32.783 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 22.440 -18.887 32.841 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 34.836 -19.878 26.563 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 34.382 -20.698 26.293 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 35.029 -20.013 27.512 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 30.022 -25.902 27.790 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 29.258 -26.445 28.082 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 29.761 -25.575 26.908 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 17.898 -33.668 36.900 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 17.577 -33.155 36.123 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 17.175 -34.280 37.102 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 25.787 -34.373 28.685 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 25.065 -34.085 29.268 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 26.020 -35.262 29.017 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.974 -33.454 38.646 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 22.672 -33.617 37.994 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.336 -32.888 38.171 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.878 -26.281 32.538 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 25.092 -26.730 33.384 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.872 -25.330 32.771 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 19.606 -28.424 38.386 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 19.484 -28.916 39.217 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 19.293 -29.039 37.698 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.139 -33.162 27.682 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 23.389 -32.219 27.788 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 23.695 -33.474 26.940 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 23.672 -31.949 31.415 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 24.170 -32.795 31.450 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.315 -31.846 32.322 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 24.045 -29.616 30.089 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.997 -30.473 30.578 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.972 -29.881 29.143 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 23.870 -30.477 27.491 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 23.120 -30.503 26.851 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.609 -30.094 26.976 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 27.253 -25.573 34.860 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 26.705 -25.020 34.281 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 26.654 -26.307 35.125 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.199 -29.079 34.657 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 22.312 -28.929 35.046 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.110 -28.766 33.734 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 24.756 -20.486 37.929 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 23.985 -20.436 37.322 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.371 -20.721 38.780 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.965 -23.849 33.891 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.407 -23.263 34.536 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 24.020 -23.794 34.136 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 25.767 -21.995 35.825 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 25.535 -21.520 36.651 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 26.651 -22.384 36.014 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 23.104 -17.411 29.843 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 23.540 -17.748 29.037 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 23.264 -18.105 30.517 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 20.242 -32.389 36.757 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 19.476 -33.008 36.842 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 19.826 -31.508 36.692 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.011 -20.316 33.846 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 25.179 -20.951 34.579 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.909 -20.878 33.067 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 29.066 -25.091 25.300 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 28.284 -25.655 25.473 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 29.357 -25.356 24.402 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 31.896 -24.671 29.281 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 31.707 -25.075 30.132 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 31.260 -25.105 28.663 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.984 -21.039 28.397 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 26.821 -21.969 28.203 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.137 -20.609 28.231 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 25.152 -27.246 35.109 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.649 -28.087 35.071 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.575 -26.648 35.640 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 23.948 -17.480 27.178 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 24.590 -17.463 26.433 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 23.241 -16.891 26.892 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 28.057 -30.226 28.045 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 27.814 -31.010 28.594 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 29.008 -30.317 27.920 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 21.557 -35.412 33.979 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 21.778 -35.708 33.068 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 21.644 -36.223 34.521 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 29.809 -18.389 24.726 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 29.249 -18.739 24.007 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 30.121 -19.192 25.197 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 33.352 -22.166 25.866 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 33.130 -22.241 24.902 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 33.721 -23.031 26.088 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 27.852 -27.461 28.425 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 27.926 -28.436 28.396 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 27.066 -27.299 29.002 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 17.537 -26.616 40.683 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 17.545 -27.122 39.858 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 17.192 -25.731 40.419 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.645 -27.295 29.980 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.120 -28.120 29.957 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.395 -26.874 30.824 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 26.169 -29.709 26.073 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 26.178 -30.475 25.458 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.836 -29.942 26.755 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 18.895 -29.916 40.748 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 19.035 -29.168 41.366 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 18.731 -30.679 41.337 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 23.441 -34.650 45.194 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 23.492 -34.622 46.174 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.973 -35.472 45.003 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.696 -26.569 36.644 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.680 -27.274 35.958 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.331 -27.013 37.442 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 18.162 -33.599 44.741 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 18.192 -33.025 43.948 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 17.201 -33.705 44.921 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 18.470 -21.952 39.774 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 19.261 -22.280 39.299 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 18.153 -21.206 39.219 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 24.451 -15.285 37.821 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 23.635 -15.083 38.338 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 24.643 -16.227 38.033 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 27.129 -18.821 34.818 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 26.339 -19.303 34.488 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 27.789 -19.511 34.947 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.046 -16.678 35.243 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 22.197 -16.283 35.521 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 22.793 -17.531 34.862 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 26.226 -16.635 33.391 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 26.548 -17.456 33.804 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 27.015 -16.046 33.383 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 24.558 -37.817 31.775 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 24.178 -38.705 31.636 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 24.790 -37.801 32.734 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 25.036 -34.320 31.575 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.709 -35.174 31.885 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 26.004 -34.437 31.522 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.635 -37.645 38.243 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.307 -36.870 38.742 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.575 -37.371 37.309 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 23.988 -32.206 44.030 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.391 -32.473 43.200 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 23.787 -33.055 44.485 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 20.782 -31.597 49.880 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 19.845 -31.772 50.112 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 20.747 -31.314 48.951 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 23.776 -38.115 46.621 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 23.868 -38.991 46.203 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 23.884 -38.287 47.567 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 18.130 -32.376 50.280 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 18.027 -33.019 50.988 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 17.215 -32.209 49.974 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 23.350 -32.550 49.793 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 22.453 -32.192 49.991 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 23.806 -31.810 49.343 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.075 -30.467 48.027 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 24.622 -29.738 48.335 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 23.891 -30.247 47.082 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.273 -30.004 45.437 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.614 -30.761 44.901 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.768 -29.464 44.790 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 20.712 -34.816 49.009 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 19.981 -35.411 49.304 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 20.247 -34.063 48.584 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 21.722 -28.902 43.392 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.084 -29.096 42.523 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 20.861 -28.474 43.203 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.227 -34.630 47.961 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 22.301 -34.701 48.275 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.593 -33.884 48.478 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 21.561 -31.363 47.171 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.384 -31.333 47.693 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 21.784 -30.872 46.358 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 19.295 -36.667 52.408 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 19.575 -37.546 52.733 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 19.872 -36.050 52.881 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 20.912 -38.525 53.642 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 21.355 -37.652 53.666 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 21.489 -39.098 54.152 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.788 -20.731 10.127 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 23.306 -20.730 9.285 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.341 -20.237 10.744 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 22.431 -12.487 18.093 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 22.459 -13.464 18.196 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 23.370 -12.228 17.993 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 24.741 -11.609 11.617 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 25.559 -11.265 12.061 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 24.550 -10.954 10.939 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 18.926 -12.319 14.110 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 19.704 -12.380 14.714 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 18.416 -11.579 14.458 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 29.286 -11.951 20.185 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 28.681 -11.453 19.622 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 29.832 -12.468 19.551 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.078 -12.711 15.742 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 21.540 -12.388 16.546 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.686 -13.383 15.374 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.087 -11.744 17.709 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 25.185 -12.678 17.997 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 25.616 -11.694 16.880 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 26.583 -7.965 16.486 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 25.834 -8.489 16.827 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 26.752 -7.321 17.178 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 24.961 -14.398 18.147 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 25.516 -14.967 18.739 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 24.067 -14.809 18.185 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 26.483 -5.109 24.681 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.956 -4.341 24.454 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.283 -5.758 23.967 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 24.414 -9.136 17.872 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 24.669 -10.088 17.939 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 23.584 -9.149 17.380 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 29.387 -10.653 22.733 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 29.301 -11.094 21.866 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 28.737 -11.106 23.302 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 25.170 -7.766 20.178 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 24.311 -7.364 20.327 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 25.045 -8.304 19.371 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.069 -6.946 22.713 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.861 -7.312 21.829 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.674 -7.606 23.109 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 32.021 -18.935 20.866 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 32.203 -18.743 21.815 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 32.502 -19.768 20.691 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 32.014 -14.641 20.706 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 32.350 -15.399 20.173 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 32.412 -14.779 21.597 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.370 -12.115 15.323 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 25.484 -12.188 14.896 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 26.657 -13.044 15.435 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 30.282 -14.665 24.746 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 30.277 -13.822 25.256 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 29.948 -14.409 23.860 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 32.572 -13.849 16.539 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 32.389 -13.484 15.667 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 33.262 -14.504 16.384 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 21.882 -14.048 10.467 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 22.847 -14.117 10.650 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 21.482 -13.900 11.350 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 30.735 -13.689 18.527 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 31.417 -13.633 17.818 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 31.236 -14.003 19.316 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.621 -14.737 15.997 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 27.457 -15.044 16.416 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 26.000 -14.637 16.749 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 22.453 -14.919 14.674 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.862 -14.847 13.894 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 21.996 -15.572 15.257 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.826 -10.664 13.002 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.898 -11.133 13.856 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 27.136 -9.753 13.202 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 32.467 -16.831 19.200 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 32.509 -17.617 19.787 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 32.465 -17.209 18.296 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 24.392 -10.068 25.745 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 23.698 -9.860 26.407 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 25.227 -10.004 26.249 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 28.919 -15.471 17.351 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 29.430 -16.054 16.751 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 29.587 -14.847 17.705 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 22.259 -17.621 13.156 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.930 -17.848 13.804 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 21.411 -17.635 13.671 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 31.738 -11.078 24.115 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 32.455 -11.162 23.481 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 30.965 -10.811 23.572 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 23.938 -12.425 14.165 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.408 -13.234 14.100 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 24.014 -12.111 13.241 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 27.880 -11.189 25.154 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 28.690 -11.635 25.486 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 27.415 -10.904 25.971 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 29.838 -17.463 20.254 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 30.509 -18.108 20.581 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 30.363 -16.806 19.769 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 27.556 -8.209 13.935 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 27.201 -8.203 14.852 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 28.059 -7.395 13.871 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 28.342 -16.381 22.301 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 28.897 -16.794 21.607 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 28.656 -15.458 22.338 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 30.007 -17.301 15.481 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 30.159 -17.359 14.510 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 29.187 -17.821 15.622 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 24.434 -14.345 11.418 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 24.714 -13.407 11.477 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 24.783 -14.753 12.235 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 20.505 -10.902 26.180 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 19.801 -10.757 26.861 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 21.330 -10.656 26.642 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 26.400 -7.574 27.783 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.025 -7.209 27.113 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 25.784 -6.839 27.959 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 27.873 -8.663 23.974 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 27.644 -9.469 24.477 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.601 -8.950 23.392 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 29.687 -13.955 22.089 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 29.374 -13.225 21.519 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 30.530 -14.236 21.673 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.652 -10.209 27.388 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.628 -9.235 27.537 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 26.664 -10.587 28.292 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 32.544 -15.298 23.250 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 32.478 -16.273 23.228 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 31.883 -15.030 23.916 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 31.758 -18.282 27.145 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 31.493 -19.133 26.748 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 32.497 -17.974 26.581 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 26.571 -18.331 22.724 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 27.185 -19.090 22.825 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 27.175 -17.554 22.604 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.317 -11.314 19.378 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 19.651 -11.968 19.138 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 21.145 -11.658 18.981 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 17.112 -15.523 20.428 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 16.693 -16.391 20.277 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 17.879 -15.720 20.988 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 28.251 -6.759 25.991 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 28.290 -7.410 25.262 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 27.783 -5.990 25.596 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 32.274 -18.125 16.793 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 31.555 -17.730 16.253 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 31.960 -19.043 16.969 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 25.137 -15.514 13.859 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 24.213 -15.476 14.179 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 25.666 -15.166 14.613 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 28.850 -19.276 18.448 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 29.121 -18.582 19.086 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 28.521 -20.013 19.022 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 20.849 -16.573 11.106 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 21.343 -15.800 10.770 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 21.456 -16.976 11.773 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 33.855 -17.632 25.475 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 34.336 -18.429 25.812 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 34.515 -16.928 25.506 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 26.156 -7.785 36.594 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 25.295 -7.370 36.711 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.142 -8.555 37.219 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 19.992 -11.546 37.414 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 20.608 -12.209 37.022 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 19.569 -11.130 36.636 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 31.613 -10.479 32.513 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 30.782 -10.677 32.990 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 31.762 -9.546 32.676 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 29.070 -10.952 36.494 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 29.365 -11.063 35.568 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 29.069 -9.982 36.628 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 21.735 -7.315 32.053 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 22.068 -6.649 31.410 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.922 -7.647 31.649 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 28.936 -12.545 30.030 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 28.037 -12.159 30.010 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 29.462 -11.955 29.447 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 30.237 -12.259 26.050 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 30.377 -11.887 26.948 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 30.911 -11.801 25.493 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.925 -9.303 34.369 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 26.409 -8.814 35.038 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.839 -9.232 34.684 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 26.254 -9.972 38.126 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.959 -10.631 38.120 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.509 -10.421 38.588 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 30.452 -10.886 28.464 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 30.061 -9.978 28.505 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 31.335 -10.779 28.841 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 34.382 -17.770 29.265 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 33.465 -17.782 28.953 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 34.637 -18.715 29.294 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 28.320 -22.707 38.913 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 28.755 -21.848 38.969 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 28.236 -22.993 39.827 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 21.595 -13.553 36.584 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 21.155 -14.306 36.135 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 21.903 -13.929 37.432 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 29.413 -8.325 28.642 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 29.285 -7.758 27.865 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 28.887 -7.894 29.341 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 29.222 -11.191 33.772 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 29.441 -12.051 33.345 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 28.288 -11.047 33.552 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.258 -14.440 39.129 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 22.045 -13.568 39.529 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 21.404 -14.934 39.167 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 28.175 -14.803 33.830 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 28.263 -14.440 34.726 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 28.899 -14.373 33.322 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 31.519 -19.711 38.586 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 32.152 -20.172 39.141 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 31.651 -20.107 37.691 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 27.311 -13.026 36.146 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 27.938 -12.276 36.242 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 26.968 -13.165 37.053 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 26.213 -13.416 38.651 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 25.618 -14.155 38.385 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 26.859 -13.835 39.257 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 26.411 -11.166 30.000 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 25.490 -11.496 29.982 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 26.387 -10.437 30.660 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 32.798 -14.943 30.068 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 32.746 -14.256 30.765 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 33.734 -15.195 30.054 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 28.833 -8.221 36.257 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 27.916 -7.921 36.445 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 29.374 -7.440 36.411 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 18.777 -10.397 28.206 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 19.057 -9.986 29.041 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 17.904 -9.992 28.022 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 25.915 -9.230 31.843 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.246 -9.241 32.771 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 24.934 -9.326 31.936 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.148 -13.104 38.854 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 17.594 -12.552 39.456 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 18.817 -12.476 38.501 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.226 -9.595 32.114 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.748 -8.738 32.190 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 22.516 -10.251 31.984 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 30.388 -17.291 39.012 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 30.797 -18.187 38.948 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 30.320 -16.999 38.095 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 30.736 -15.458 41.027 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 31.551 -15.629 41.505 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 30.695 -16.172 40.354 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 30.016 -13.409 32.404 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 29.679 -13.157 31.515 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 30.992 -13.431 32.292 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 25.340 -5.514 29.364 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 25.467 -4.575 29.536 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 26.019 -5.952 29.914 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 27.334 -7.349 30.333 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 26.917 -7.957 30.980 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.953 -7.617 29.473 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.567 -9.839 27.786 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 22.071 -9.013 27.996 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 22.869 -10.160 28.650 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 24.317 -11.399 39.318 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 23.399 -11.731 39.371 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 24.859 -12.206 39.207 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 28.455 -14.403 39.991 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.182 -14.757 40.554 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 28.859 -13.662 39.528 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.865 -16.387 36.290 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.107 -17.147 35.732 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 26.340 -16.781 37.010 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 25.459 -17.780 38.256 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 25.354 -18.744 38.143 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 26.234 -17.689 38.861 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 27.699 -17.101 39.646 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 28.633 -17.341 39.493 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 27.733 -16.151 39.861 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 22.611 -5.869 29.886 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.539 -5.806 29.591 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.186 -6.451 29.225 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 16.245 -11.614 40.115 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 15.877 -11.101 40.839 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 15.620 -11.468 39.373 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 30.363 -14.853 28.893 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 29.946 -14.125 29.384 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 31.264 -14.928 29.290 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 35.388 -13.139 31.546 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 35.460 -14.003 31.085 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 36.297 -12.855 31.661 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 35.633 -15.594 30.289 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 35.165 -16.363 29.879 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 36.521 -15.923 30.455 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 18.803 -12.750 32.890 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 17.850 -12.743 32.628 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.104 -13.633 32.642 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 20.452 -15.779 35.520 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 20.109 -16.138 34.680 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 19.761 -16.021 36.178 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 32.700 -12.918 31.884 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 32.439 -11.990 32.080 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 33.685 -12.895 31.883 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 32.090 -21.004 36.272 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 32.887 -21.106 35.745 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 31.438 -21.601 35.838 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 35.081 -20.466 29.266 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 34.380 -21.158 29.168 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 35.749 -20.886 29.816 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 28.099 -23.332 36.249 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 27.902 -24.265 36.007 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 28.195 -23.349 37.229 1.00 0.00 WAT1 END