REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1441.74, 112.325, 164.55, 82.4261, 678.995, -642.693, -1843.15, 5.18269, 0.625381 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.787667E-03,0.495406,1.33063,42.7134,4.762497E-03,0.235556 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 58, 15 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:47 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.478 -7.771 -13.754 1.00 35.24 ATOM 2 CB MET 1 4.228 -5.693 -13.270 1.00 62.41 ATOM 3 HB1 MET 1 4.174 -5.087 -12.376 1.00 37.46 ATOM 4 HB2 MET 1 3.295 -5.603 -13.809 1.00 43.20 ATOM 5 CG MET 1 5.341 -5.141 -14.155 1.00 71.32 ATOM 6 HG1 MET 1 5.394 -5.734 -15.058 1.00 37.46 ATOM 7 HG2 MET 1 6.280 -5.215 -13.624 1.00 63.41 ATOM 8 SD MET 1 5.068 -3.415 -14.610 1.00 25.41 ATOM 9 CE MET 1 6.511 -3.094 -15.626 1.00 2.54 ATOM 10 HE1 MET 1 7.404 -3.213 -15.030 1.00 32.01 ATOM 11 HE2 MET 1 6.466 -2.085 -16.008 1.00 4.13 ATOM 12 HE3 MET 1 6.533 -3.790 -16.453 1.00 62.53 ATOM 13 C MET 1 5.737 -7.324 -12.079 1.00 45.24 ATOM 14 O MET 1 6.055 -6.515 -11.204 1.00 22.02 ATOM 15 N MET 1 3.266 -7.636 -12.058 1.00 63.01 ATOM 16 HT1 MET 1 2.386 -7.544 -12.606 1.00 37.46 ATOM 17 HT2 MET 1 3.177 -7.074 -11.187 1.00 37.46 ATOM 18 HT3 MET 1 3.395 -8.635 -11.796 1.00 37.46 ATOM 19 CA MET 1 4.425 -7.163 -12.861 1.00 60.21 ATOM 20 N GLY 2 6.493 -8.372 -12.392 1.00 1.35 ATOM 21 HN GLY 2 6.201 -8.977 -13.108 1.00 37.46 ATOM 22 CA GLY 2 7.747 -8.632 -11.691 1.00 1.13 ATOM 23 HA1 GLY 2 7.542 -9.265 -10.840 1.00 37.46 ATOM 24 HA2 GLY 2 8.151 -7.695 -11.335 1.00 75.22 ATOM 25 C GLY 2 8.795 -9.313 -12.566 1.00 3.42 ATOM 26 O GLY 2 8.513 -9.721 -13.695 1.00 44.33 ATOM 27 N HIS 3 10.005 -9.453 -12.034 1.00 31.11 ATOM 28 HN HIS 3 10.153 -9.158 -11.109 1.00 37.46 ATOM 29 CA HIS 3 11.116 -10.052 -12.780 1.00 13.32 ATOM 30 HA HIS 3 11.029 -9.736 -13.812 1.00 51.41 ATOM 31 CB HIS 3 12.451 -9.547 -12.221 1.00 42.23 ATOM 32 HB1 HIS 3 13.261 -9.983 -12.789 1.00 37.46 ATOM 33 HB2 HIS 3 12.541 -9.846 -11.187 1.00 70.31 ATOM 34 CG HIS 3 12.595 -8.055 -12.284 1.00 63.12 ATOM 35 ND1 HIS 3 13.364 -7.414 -13.227 1.00 45.33 ATOM 36 HD1 HIS 3 13.892 -7.850 -13.929 1.00 5.25 ATOM 37 CD2 HIS 3 12.060 -7.074 -11.517 1.00 64.44 ATOM 38 HD2 HIS 3 11.395 -7.209 -10.676 1.00 23.31 ATOM 39 CE1 HIS 3 13.297 -6.113 -13.042 1.00 1.34 ATOM 40 HE1 HIS 3 13.801 -5.364 -13.638 1.00 65.31 ATOM 41 NE2 HIS 3 12.514 -5.876 -12.011 1.00 71.14 ATOM 42 HE2 HIS 3 12.487 -5.025 -11.524 1.00 37.46 ATOM 43 C HIS 3 11.056 -11.588 -12.729 1.00 5.12 ATOM 44 O HIS 3 11.249 -12.194 -11.675 1.00 10.52 ATOM 45 N HIS 4 10.776 -12.207 -13.875 1.00 70.25 ATOM 46 HN HIS 4 10.647 -11.667 -14.680 1.00 37.46 ATOM 47 CA HIS 4 10.640 -13.670 -13.963 1.00 10.53 ATOM 48 HA HIS 4 9.964 -13.978 -13.176 1.00 11.32 ATOM 49 CB HIS 4 10.020 -14.066 -15.313 1.00 52.32 ATOM 50 HB1 HIS 4 9.005 -13.696 -15.356 1.00 37.46 ATOM 51 HB2 HIS 4 10.004 -15.143 -15.393 1.00 53.34 ATOM 52 CG HIS 4 10.756 -13.528 -16.508 1.00 22.32 ATOM 53 ND1 HIS 4 11.820 -14.178 -17.100 1.00 71.45 ATOM 54 HD1 HIS 4 12.201 -15.037 -16.813 1.00 15.30 ATOM 55 CD2 HIS 4 10.577 -12.391 -17.221 1.00 21.41 ATOM 56 HD2 HIS 4 9.825 -11.635 -17.045 1.00 11.40 ATOM 57 CE1 HIS 4 12.259 -13.467 -18.117 1.00 64.13 ATOM 58 HE1 HIS 4 13.079 -13.734 -18.767 1.00 42.41 ATOM 59 NE2 HIS 4 11.524 -12.380 -18.214 1.00 23.43 ATOM 60 HE2 HIS 4 11.521 -11.775 -18.989 1.00 37.46 ATOM 61 C HIS 4 11.983 -14.399 -13.759 1.00 74.23 ATOM 62 O HIS 4 12.782 -14.530 -14.687 1.00 33.31 ATOM 63 N HIS 5 12.229 -14.862 -12.537 1.00 73.13 ATOM 64 HN HIS 5 11.589 -14.672 -11.818 1.00 37.46 ATOM 65 CA HIS 5 13.430 -15.648 -12.233 1.00 34.22 ATOM 66 HA HIS 5 14.056 -15.645 -13.117 1.00 4.23 ATOM 67 CB HIS 5 14.209 -15.006 -11.081 1.00 40.04 ATOM 68 HB1 HIS 5 15.007 -15.670 -10.776 1.00 37.46 ATOM 69 HB2 HIS 5 13.542 -14.845 -10.247 1.00 72.15 ATOM 70 CG HIS 5 14.819 -13.688 -11.449 1.00 31.44 ATOM 71 ND1 HIS 5 15.984 -13.584 -12.176 1.00 70.54 ATOM 72 HD1 HIS 5 16.519 -14.340 -12.506 1.00 31.32 ATOM 73 CD2 HIS 5 14.422 -12.414 -11.205 1.00 13.12 ATOM 74 HD2 HIS 5 13.535 -12.110 -10.664 1.00 11.52 ATOM 75 CE1 HIS 5 16.278 -12.315 -12.364 1.00 42.02 ATOM 76 HE1 HIS 5 17.133 -11.938 -12.908 1.00 74.21 ATOM 77 NE2 HIS 5 15.349 -11.583 -11.788 1.00 12.33 ATOM 78 HE2 HIS 5 15.410 -10.612 -11.649 1.00 37.46 ATOM 79 C HIS 5 13.067 -17.104 -11.904 1.00 20.52 ATOM 80 O HIS 5 12.061 -17.368 -11.250 1.00 70.50 ATOM 81 N HIS 6 13.916 -18.043 -12.328 1.00 4.43 ATOM 82 HN HIS 6 14.792 -17.762 -12.677 1.00 37.46 ATOM 83 CA HIS 6 13.589 -19.482 -12.284 1.00 1.23 ATOM 84 HA HIS 6 12.558 -19.582 -12.591 1.00 33.22 ATOM 85 CB HIS 6 14.462 -20.234 -13.296 1.00 33.34 ATOM 86 HB1 HIS 6 14.309 -21.299 -13.178 1.00 37.46 ATOM 87 HB2 HIS 6 15.501 -20.002 -13.113 1.00 15.24 ATOM 88 CG HIS 6 14.152 -19.877 -14.720 1.00 1.34 ATOM 89 ND1 HIS 6 13.418 -20.689 -15.558 1.00 33.24 ATOM 90 HD1 HIS 6 13.043 -21.566 -15.326 1.00 51.13 ATOM 91 CD2 HIS 6 14.465 -18.779 -15.452 1.00 32.12 ATOM 92 HD2 HIS 6 15.036 -17.924 -15.115 1.00 12.02 ATOM 93 CE1 HIS 6 13.292 -20.110 -16.734 1.00 72.43 ATOM 94 HE1 HIS 6 12.764 -20.515 -17.584 1.00 33.41 ATOM 95 NE2 HIS 6 13.917 -18.953 -16.697 1.00 50.24 ATOM 96 HE2 HIS 6 13.851 -18.261 -17.387 1.00 37.46 ATOM 97 C HIS 6 13.728 -20.113 -10.879 1.00 1.44 ATOM 98 O HIS 6 13.828 -21.336 -10.747 1.00 10.11 ATOM 99 N HIS 7 13.718 -19.290 -9.835 1.00 12.44 ATOM 100 HN HIS 7 13.722 -18.323 -9.993 1.00 37.46 ATOM 101 CA HIS 7 13.699 -19.785 -8.450 1.00 54.15 ATOM 102 HA HIS 7 13.415 -20.830 -8.478 1.00 74.50 ATOM 103 CB HIS 7 15.086 -19.668 -7.807 1.00 12.42 ATOM 104 HB1 HIS 7 15.015 -19.924 -6.758 1.00 37.46 ATOM 105 HB2 HIS 7 15.437 -18.650 -7.900 1.00 64.43 ATOM 106 CG HIS 7 16.102 -20.570 -8.437 1.00 43.44 ATOM 107 ND1 HIS 7 16.936 -20.172 -9.458 1.00 15.50 ATOM 108 HD1 HIS 7 16.964 -19.278 -9.857 1.00 22.35 ATOM 109 CD2 HIS 7 16.401 -21.871 -8.200 1.00 22.13 ATOM 110 HD2 HIS 7 15.939 -22.511 -7.460 1.00 55.21 ATOM 111 CE1 HIS 7 17.698 -21.182 -9.822 1.00 45.33 ATOM 112 HE1 HIS 7 18.445 -21.160 -10.602 1.00 31.30 ATOM 113 NE2 HIS 7 17.395 -22.225 -9.078 1.00 62.23 ATOM 114 HE2 HIS 7 17.669 -23.147 -9.272 1.00 37.46 ATOM 115 C HIS 7 12.654 -19.028 -7.623 1.00 54.03 ATOM 116 O HIS 7 12.467 -17.824 -7.802 1.00 24.14 ATOM 117 N HIS 8 11.970 -19.746 -6.726 1.00 43.53 ATOM 118 HN HIS 8 12.237 -20.678 -6.563 1.00 37.46 ATOM 119 CA HIS 8 10.846 -19.182 -5.956 1.00 61.13 ATOM 120 HA HIS 8 10.476 -19.964 -5.308 1.00 11.31 ATOM 121 CB HIS 8 11.320 -18.002 -5.088 1.00 72.30 ATOM 122 HB1 HIS 8 10.461 -17.535 -4.625 1.00 37.46 ATOM 123 HB2 HIS 8 11.818 -17.277 -5.717 1.00 24.01 ATOM 124 CG HIS 8 12.276 -18.394 -4.000 1.00 34.21 ATOM 125 ND1 HIS 8 11.950 -18.355 -2.663 1.00 24.44 ATOM 126 HD1 HIS 8 11.088 -18.066 -2.292 1.00 40.21 ATOM 127 CD2 HIS 8 13.561 -18.821 -4.054 1.00 13.25 ATOM 128 HD2 HIS 8 14.150 -18.970 -4.948 1.00 0.11 ATOM 129 CE1 HIS 8 12.985 -18.737 -1.946 1.00 51.45 ATOM 130 HE1 HIS 8 13.016 -18.799 -0.868 1.00 10.42 ATOM 131 NE2 HIS 8 13.978 -19.026 -2.761 1.00 4.32 ATOM 132 HE2 HIS 8 14.918 -19.108 -2.480 1.00 37.46 ATOM 133 C HIS 8 9.692 -18.736 -6.881 1.00 71.41 ATOM 134 O HIS 8 8.816 -17.970 -6.478 1.00 23.00 ATOM 135 N SER 9 9.686 -19.246 -8.112 1.00 21.21 ATOM 136 HN SER 9 10.372 -19.898 -8.354 1.00 37.46 ATOM 137 CA SER 9 8.679 -18.869 -9.118 1.00 21.35 ATOM 138 HA SER 9 8.154 -17.997 -8.756 1.00 34.01 ATOM 139 CB SER 9 9.377 -18.515 -10.439 1.00 2.03 ATOM 140 HB1 SER 9 9.886 -19.389 -10.821 1.00 37.46 ATOM 141 HB2 SER 9 10.099 -17.732 -10.261 1.00 63.32 ATOM 142 OG SER 9 8.454 -18.063 -11.415 1.00 71.25 ATOM 143 HG SER 9 8.927 -17.555 -12.089 1.00 74.22 ATOM 144 C SER 9 7.659 -19.997 -9.346 1.00 23.45 ATOM 145 O SER 9 7.608 -20.971 -8.591 1.00 5.24 ATOM 146 N HIS 10 6.846 -19.863 -10.393 1.00 70.24 ATOM 147 HN HIS 10 6.961 -19.090 -10.988 1.00 37.46 ATOM 148 CA HIS 10 5.800 -20.844 -10.694 1.00 3.14 ATOM 149 HA HIS 10 5.321 -21.107 -9.760 1.00 24.32 ATOM 150 CB HIS 10 4.746 -20.232 -11.628 1.00 74.02 ATOM 151 HB1 HIS 10 3.999 -20.981 -11.855 1.00 37.46 ATOM 152 HB2 HIS 10 5.224 -19.922 -12.546 1.00 53.41 ATOM 153 CG HIS 10 4.043 -19.038 -11.051 1.00 63.35 ATOM 154 ND1 HIS 10 2.703 -19.037 -10.732 1.00 21.51 ATOM 155 HD1 HIS 10 2.085 -19.796 -10.836 1.00 33.32 ATOM 156 CD2 HIS 10 4.496 -17.795 -10.745 1.00 23.43 ATOM 157 HD2 HIS 10 5.507 -17.432 -10.868 1.00 14.44 ATOM 158 CE1 HIS 10 2.363 -17.856 -10.259 1.00 43.41 ATOM 159 HE1 HIS 10 1.376 -17.566 -9.937 1.00 53.51 ATOM 160 NE2 HIS 10 3.430 -17.085 -10.254 1.00 22.23 ATOM 161 HE2 HIS 10 3.427 -16.123 -10.058 1.00 37.46 ATOM 162 C HIS 10 6.383 -22.127 -11.317 1.00 21.53 ATOM 163 O HIS 10 6.339 -22.323 -12.534 1.00 20.14 ATOM 164 N MET 11 6.957 -22.981 -10.472 1.00 53.53 ATOM 165 HN MET 11 7.045 -22.724 -9.529 1.00 37.46 ATOM 166 CA MET 11 7.467 -24.287 -10.906 1.00 55.52 ATOM 167 HA MET 11 7.726 -24.212 -11.953 1.00 74.04 ATOM 168 CB MET 11 8.721 -24.665 -10.104 1.00 25.04 ATOM 169 HB1 MET 11 9.026 -25.665 -10.382 1.00 37.46 ATOM 170 HB2 MET 11 8.475 -24.656 -9.052 1.00 61.34 ATOM 171 CG MET 11 9.905 -23.729 -10.321 1.00 40.15 ATOM 172 HG1 MET 11 9.615 -22.728 -10.034 1.00 37.46 ATOM 173 HG2 MET 11 10.170 -23.738 -11.368 1.00 54.21 ATOM 174 SD MET 11 11.355 -24.208 -9.355 1.00 15.11 ATOM 175 CE MET 11 11.674 -25.853 -9.996 1.00 42.42 ATOM 176 HE1 MET 11 11.873 -25.794 -11.057 1.00 13.51 ATOM 177 HE2 MET 11 10.812 -26.480 -9.825 1.00 11.02 ATOM 178 HE3 MET 11 12.531 -26.275 -9.493 1.00 21.24 ATOM 179 C MET 11 6.390 -25.374 -10.732 1.00 74.25 ATOM 180 O MET 11 5.672 -25.385 -9.731 1.00 72.25 ATOM 181 N PRO 12 6.261 -26.302 -11.696 1.00 62.10 ATOM 182 CA PRO 12 5.256 -27.369 -11.640 1.00 32.22 ATOM 183 HA PRO 12 4.308 -26.992 -11.277 1.00 5.23 ATOM 184 CB PRO 12 5.101 -27.803 -13.116 1.00 63.04 ATOM 185 HB1 PRO 12 4.083 -27.631 -13.436 1.00 37.46 ATOM 186 HB2 PRO 12 5.332 -28.855 -13.212 1.00 43.44 ATOM 187 CG PRO 12 6.067 -26.962 -13.904 1.00 15.44 ATOM 188 HG1 PRO 12 5.534 -26.161 -14.399 1.00 37.46 ATOM 189 HG2 PRO 12 6.575 -27.575 -14.634 1.00 74.34 ATOM 190 CD PRO 12 7.057 -26.397 -12.923 1.00 15.14 ATOM 191 HD1 PRO 12 7.398 -25.423 -13.243 1.00 37.46 ATOM 192 HD2 PRO 12 7.894 -27.071 -12.793 1.00 51.31 ATOM 193 C PRO 12 5.689 -28.560 -10.763 1.00 42.54 ATOM 194 O PRO 12 6.334 -29.496 -11.241 1.00 63.22 ATOM 195 N ASP 13 5.335 -28.519 -9.481 1.00 63.40 ATOM 196 HN ASP 13 4.846 -27.739 -9.144 1.00 37.46 ATOM 197 CA ASP 13 5.642 -29.621 -8.564 1.00 12.43 ATOM 198 HA ASP 13 6.679 -29.886 -8.719 1.00 62.24 ATOM 199 CB ASP 13 5.469 -29.182 -7.102 1.00 64.51 ATOM 200 HB1 ASP 13 6.222 -28.442 -6.870 1.00 37.46 ATOM 201 HB2 ASP 13 5.615 -30.039 -6.460 1.00 24.13 ATOM 202 CG ASP 13 4.105 -28.582 -6.799 1.00 52.24 ATOM 203 OD1 ASP 13 3.452 -29.026 -5.833 1.00 34.14 ATOM 204 OD2 ASP 13 3.701 -27.634 -7.506 1.00 72.31 ATOM 205 C ASP 13 4.773 -30.849 -8.885 1.00 42.32 ATOM 206 O ASP 13 3.545 -30.782 -8.865 1.00 74.34 ATOM 207 N HIS 14 5.419 -31.970 -9.200 1.00 32.53 ATOM 208 HN HIS 14 6.392 -32.002 -9.094 1.00 37.46 ATOM 209 CA HIS 14 4.706 -33.159 -9.682 1.00 32.33 ATOM 210 HA HIS 14 4.028 -32.828 -10.459 1.00 61.03 ATOM 211 CB HIS 14 5.690 -34.160 -10.304 1.00 2.14 ATOM 212 HB1 HIS 14 5.160 -35.070 -10.553 1.00 37.46 ATOM 213 HB2 HIS 14 6.468 -34.388 -9.589 1.00 64.15 ATOM 214 CG HIS 14 6.343 -33.652 -11.550 1.00 72.12 ATOM 215 ND1 HIS 14 5.888 -33.961 -12.811 1.00 11.45 ATOM 216 HD1 HIS 14 5.121 -34.542 -13.019 1.00 11.10 ATOM 217 CD2 HIS 14 7.422 -32.851 -11.729 1.00 1.30 ATOM 218 HD2 HIS 14 8.031 -32.410 -10.952 1.00 44.44 ATOM 219 CE1 HIS 14 6.653 -33.378 -13.710 1.00 30.33 ATOM 220 HE1 HIS 14 6.532 -33.443 -14.780 1.00 63.35 ATOM 221 NE2 HIS 14 7.590 -32.700 -13.081 1.00 31.32 ATOM 222 HE2 HIS 14 8.371 -32.293 -13.512 1.00 37.46 ATOM 223 C HIS 14 3.871 -33.837 -8.584 1.00 62.12 ATOM 224 O HIS 14 4.304 -34.808 -7.961 1.00 73.44 ATOM 225 N GLY 15 2.686 -33.286 -8.334 1.00 21.15 ATOM 226 HN GLY 15 2.472 -32.420 -8.742 1.00 37.46 ATOM 227 CA GLY 15 1.723 -33.921 -7.442 1.00 33.43 ATOM 228 HA1 GLY 15 1.285 -33.164 -6.807 1.00 37.46 ATOM 229 HA2 GLY 15 2.234 -34.644 -6.822 1.00 0.23 ATOM 230 C GLY 15 0.609 -34.622 -8.212 1.00 72.53 ATOM 231 O GLY 15 0.618 -35.845 -8.365 1.00 24.33 ATOM 232 N ASP 16 -0.353 -33.843 -8.705 1.00 51.21 ATOM 233 HN ASP 16 -0.343 -32.885 -8.495 1.00 37.46 ATOM 234 CA ASP 16 -1.438 -34.381 -9.529 1.00 55.31 ATOM 235 HA ASP 16 -1.835 -35.251 -9.026 1.00 53.20 ATOM 236 CB ASP 16 -2.552 -33.341 -9.671 1.00 74.53 ATOM 237 HB1 ASP 16 -3.362 -33.762 -10.252 1.00 37.46 ATOM 238 HB2 ASP 16 -2.163 -32.472 -10.185 1.00 54.34 ATOM 239 CG ASP 16 -3.099 -32.904 -8.326 1.00 14.02 ATOM 240 OD1 ASP 16 -3.911 -33.648 -7.736 1.00 21.54 ATOM 241 OD2 ASP 16 -2.712 -31.819 -7.848 1.00 24.33 ATOM 242 C ASP 16 -0.933 -34.804 -10.918 1.00 4.42 ATOM 243 O ASP 16 -1.348 -35.834 -11.453 1.00 44.51 ATOM 244 N TRP 17 -0.037 -34.008 -11.501 1.00 53.40 ATOM 245 HN TRP 17 0.254 -33.198 -11.039 1.00 37.46 ATOM 246 CA TRP 17 0.521 -34.321 -12.821 1.00 64.24 ATOM 247 HA TRP 17 -0.234 -34.885 -13.356 1.00 42.23 ATOM 248 CB TRP 17 0.808 -33.033 -13.623 1.00 30.30 ATOM 249 HB1 TRP 17 -0.134 -32.606 -13.939 1.00 37.46 ATOM 250 HB2 TRP 17 1.383 -33.289 -14.501 1.00 74.01 ATOM 251 CG TRP 17 1.568 -31.967 -12.875 1.00 15.02 ATOM 252 CD1 TRP 17 2.926 -31.812 -12.810 1.00 25.20 ATOM 253 HD1 TRP 17 3.637 -32.466 -13.291 1.00 50.11 ATOM 254 CD2 TRP 17 1.006 -30.894 -12.106 1.00 24.13 ATOM 255 NE1 TRP 17 3.238 -30.717 -12.044 1.00 13.03 ATOM 256 HE1 TRP 17 4.147 -30.400 -11.847 1.00 14.43 ATOM 257 CE2 TRP 17 2.079 -30.137 -11.600 1.00 0.53 ATOM 258 CE3 TRP 17 -0.301 -30.503 -11.791 1.00 41.01 ATOM 259 HE3 TRP 17 -1.154 -31.057 -12.158 1.00 72.12 ATOM 260 CZ2 TRP 17 1.886 -29.011 -10.803 1.00 71.34 ATOM 261 HZ2 TRP 17 2.716 -28.433 -10.420 1.00 41.15 ATOM 262 CZ3 TRP 17 -0.490 -29.385 -10.999 1.00 23.40 ATOM 263 HZ3 TRP 17 -1.492 -29.067 -10.747 1.00 54.02 ATOM 264 CH2 TRP 17 0.599 -28.651 -10.512 1.00 43.40 ATOM 265 HH2 TRP 17 0.404 -27.785 -9.897 1.00 62.40 ATOM 266 C TRP 17 1.776 -35.209 -12.720 1.00 73.44 ATOM 267 O TRP 17 2.912 -34.725 -12.687 1.00 65.54 ATOM 268 N THR 18 1.553 -36.519 -12.633 1.00 13.43 ATOM 269 HN THR 18 0.627 -36.837 -12.554 1.00 37.46 ATOM 270 CA THR 18 2.640 -37.505 -12.645 1.00 23.32 ATOM 271 HA THR 18 3.559 -36.980 -12.876 1.00 60.44 ATOM 272 CB THR 18 2.816 -38.203 -11.270 1.00 54.42 ATOM 273 HB THR 18 3.584 -38.959 -11.365 1.00 21.52 ATOM 274 OG1 THR 18 1.591 -38.839 -10.867 1.00 34.03 ATOM 275 HG1 THR 18 1.187 -38.333 -10.153 1.00 31.35 ATOM 276 CG2 THR 18 3.251 -37.207 -10.198 1.00 75.32 ATOM 277 HG21 THR 18 2.511 -36.424 -10.106 1.00 34.21 ATOM 278 HG22 THR 18 4.201 -36.773 -10.472 1.00 42.54 ATOM 279 HG23 THR 18 3.351 -37.718 -9.251 1.00 2.32 ATOM 280 C THR 18 2.399 -38.560 -13.739 1.00 4.00 ATOM 281 O THR 18 2.824 -38.370 -14.881 1.00 24.01 ATOM 282 N TYR 19 1.683 -39.642 -13.403 1.00 14.34 ATOM 283 HN TYR 19 1.357 -39.722 -12.482 1.00 37.46 ATOM 284 CA TYR 19 1.342 -40.700 -14.375 1.00 74.42 ATOM 285 HA TYR 19 0.641 -40.278 -15.082 1.00 71.45 ATOM 286 CB TYR 19 2.590 -41.186 -15.138 1.00 75.21 ATOM 287 HB1 TYR 19 3.186 -41.808 -14.484 1.00 37.46 ATOM 288 HB2 TYR 19 3.176 -40.329 -15.438 1.00 73.34 ATOM 289 CG TYR 19 2.268 -41.989 -16.389 1.00 1.15 ATOM 290 CD1 TYR 19 1.841 -41.349 -17.550 1.00 3.44 ATOM 291 HD1 TYR 19 1.741 -40.273 -17.550 1.00 21.13 ATOM 292 CD2 TYR 19 2.390 -43.376 -16.415 1.00 42.11 ATOM 293 HD2 TYR 19 2.720 -43.892 -15.524 1.00 3.01 ATOM 294 CE1 TYR 19 1.546 -42.064 -18.695 1.00 52.42 ATOM 295 HE1 TYR 19 1.217 -41.546 -19.584 1.00 13.03 ATOM 296 CE2 TYR 19 2.095 -44.097 -17.560 1.00 4.34 ATOM 297 HE2 TYR 19 2.196 -45.173 -17.560 1.00 12.54 ATOM 298 CZ TYR 19 1.674 -43.436 -18.696 1.00 30.53 ATOM 299 OH TYR 19 1.383 -44.148 -19.841 1.00 1.21 ATOM 300 HH TYR 19 0.863 -44.929 -19.608 1.00 71.33 ATOM 301 C TYR 19 0.676 -41.901 -13.683 1.00 33.22 ATOM 302 O TYR 19 -0.218 -42.539 -14.246 1.00 62.42 ATOM 303 N GLU 20 1.117 -42.211 -12.465 1.00 14.11 ATOM 304 HN GLU 20 1.791 -41.638 -12.042 1.00 37.46 ATOM 305 CA GLU 20 0.622 -43.386 -11.739 1.00 4.24 ATOM 306 HA GLU 20 -0.413 -43.537 -12.014 1.00 53.31 ATOM 307 CB GLU 20 1.437 -44.626 -12.153 1.00 54.34 ATOM 308 HB1 GLU 20 2.459 -44.495 -11.825 1.00 37.46 ATOM 309 HB2 GLU 20 1.428 -44.702 -13.232 1.00 43.52 ATOM 310 CG GLU 20 0.918 -45.942 -11.581 1.00 2.52 ATOM 311 HG1 GLU 20 0.992 -45.906 -10.502 1.00 37.46 ATOM 312 HG2 GLU 20 1.532 -46.750 -11.953 1.00 21.21 ATOM 313 CD GLU 20 -0.527 -46.212 -11.964 1.00 4.44 ATOM 314 OE1 GLU 20 -1.411 -46.096 -11.090 1.00 11.24 ATOM 315 OE2 GLU 20 -0.786 -46.519 -13.150 1.00 42.11 ATOM 316 C GLU 20 0.706 -43.182 -10.215 1.00 2.44 ATOM 317 O GLU 20 1.578 -42.463 -9.726 1.00 5.51 ATOM 318 N GLU 21 -0.202 -43.815 -9.468 1.00 34.23 ATOM 319 HN GLU 21 -0.891 -44.360 -9.908 1.00 37.46 ATOM 320 CA GLU 21 -0.184 -43.725 -8.002 1.00 34.25 ATOM 321 HA GLU 21 -0.012 -42.688 -7.745 1.00 4.15 ATOM 322 CB GLU 21 -1.539 -44.161 -7.413 1.00 44.33 ATOM 323 HB1 GLU 21 -2.317 -43.555 -7.856 1.00 37.46 ATOM 324 HB2 GLU 21 -1.528 -43.983 -6.346 1.00 43.23 ATOM 325 CG GLU 21 -1.887 -45.629 -7.646 1.00 41.32 ATOM 326 HG1 GLU 21 -1.196 -46.244 -7.084 1.00 37.46 ATOM 327 HG2 GLU 21 -1.779 -45.847 -8.700 1.00 25.32 ATOM 328 CD GLU 21 -3.307 -45.976 -7.217 1.00 21.40 ATOM 329 OE1 GLU 21 -3.609 -45.895 -6.007 1.00 23.13 ATOM 330 OE2 GLU 21 -4.128 -46.329 -8.090 1.00 22.22 ATOM 331 C GLU 21 0.970 -44.565 -7.422 1.00 20.51 ATOM 332 O GLU 21 1.350 -45.588 -7.995 1.00 31.11 ATOM 333 N GLN 22 1.514 -44.121 -6.280 1.00 43.22 ATOM 334 HN GLN 22 1.066 -43.393 -5.804 1.00 37.46 ATOM 335 CA GLN 22 2.748 -44.690 -5.697 1.00 11.34 ATOM 336 HA GLN 22 3.149 -43.928 -5.040 1.00 24.25 ATOM 337 CB GLN 22 2.454 -45.949 -4.840 1.00 11.23 ATOM 338 HB1 GLN 22 1.682 -45.699 -4.124 1.00 37.46 ATOM 339 HB2 GLN 22 3.350 -46.209 -4.296 1.00 71.51 ATOM 340 CG GLN 22 2.000 -47.186 -5.611 1.00 11.03 ATOM 341 HG1 GLN 22 2.795 -47.495 -6.274 1.00 37.46 ATOM 342 HG2 GLN 22 1.128 -46.929 -6.196 1.00 71.53 ATOM 343 CD GLN 22 1.644 -48.350 -4.698 1.00 62.42 ATOM 344 OE1 GLN 22 0.493 -48.528 -4.320 1.00 50.43 ATOM 345 NE2 GLN 22 2.633 -49.133 -4.313 1.00 42.21 ATOM 346 HE21 GLN 22 3.537 -48.927 -4.623 1.00 42.54 ATOM 347 HE22 GLN 22 2.417 -49.891 -3.732 1.00 24.15 ATOM 348 C GLN 22 3.816 -44.957 -6.786 1.00 5.23 ATOM 349 O GLN 22 4.303 -46.078 -6.962 1.00 64.34 ATOM 350 N PHE 23 4.161 -43.895 -7.517 1.00 3.00 ATOM 351 HN PHE 23 3.753 -43.032 -7.308 1.00 37.46 ATOM 352 CA PHE 23 5.114 -43.973 -8.636 1.00 3.25 ATOM 353 HA PHE 23 4.755 -44.748 -9.299 1.00 54.42 ATOM 354 CB PHE 23 5.127 -42.645 -9.417 1.00 14.40 ATOM 355 HB1 PHE 23 4.241 -42.598 -10.034 1.00 37.46 ATOM 356 HB2 PHE 23 5.998 -42.622 -10.057 1.00 11.14 ATOM 357 CG PHE 23 5.156 -41.404 -8.551 1.00 3.40 ATOM 358 CD1 PHE 23 6.332 -40.981 -7.947 1.00 3.34 ATOM 359 HD1 PHE 23 7.238 -41.552 -8.091 1.00 73.41 ATOM 360 CD2 PHE 23 4.003 -40.654 -8.351 1.00 61.45 ATOM 361 HD2 PHE 23 3.079 -40.969 -8.815 1.00 10.43 ATOM 362 CE1 PHE 23 6.356 -39.841 -7.163 1.00 75.31 ATOM 363 HE1 PHE 23 7.278 -39.524 -6.699 1.00 64.44 ATOM 364 CE2 PHE 23 4.024 -39.515 -7.567 1.00 61.50 ATOM 365 HE2 PHE 23 3.119 -38.943 -7.420 1.00 4.52 ATOM 366 CZ PHE 23 5.201 -39.109 -6.974 1.00 44.25 ATOM 367 HZ PHE 23 5.220 -38.218 -6.362 1.00 65.22 ATOM 368 C PHE 23 6.542 -44.359 -8.190 1.00 50.01 ATOM 369 O PHE 23 6.899 -44.257 -7.013 1.00 45.42 ATOM 370 N LYS 24 7.363 -44.764 -9.160 1.00 32.43 ATOM 371 HN LYS 24 7.076 -44.657 -10.096 1.00 37.46 ATOM 372 CA LYS 24 8.680 -45.363 -8.889 1.00 70.02 ATOM 373 HA LYS 24 8.511 -46.201 -8.226 1.00 30.12 ATOM 374 CB LYS 24 9.302 -45.904 -10.185 1.00 71.11 ATOM 375 HB1 LYS 24 10.376 -45.944 -10.068 1.00 37.46 ATOM 376 HB2 LYS 24 9.067 -45.223 -10.991 1.00 61.45 ATOM 377 CG LYS 24 8.817 -47.296 -10.582 1.00 71.51 ATOM 378 HG1 LYS 24 9.040 -47.985 -9.777 1.00 37.46 ATOM 379 HG2 LYS 24 9.343 -47.606 -11.474 1.00 44.45 ATOM 380 CD LYS 24 7.318 -47.331 -10.860 1.00 24.21 ATOM 381 HD1 LYS 24 7.099 -46.666 -11.686 1.00 37.46 ATOM 382 HD2 LYS 24 6.788 -46.999 -9.978 1.00 51.21 ATOM 383 CE LYS 24 6.849 -48.734 -11.216 1.00 54.10 ATOM 384 HE1 LYS 24 7.031 -49.388 -10.374 1.00 37.46 ATOM 385 HE2 LYS 24 7.408 -49.084 -12.071 1.00 0.43 ATOM 386 NZ LYS 24 5.403 -48.768 -11.545 1.00 13.52 ATOM 387 HZ1 LYS 24 5.206 -48.144 -12.353 1.00 44.34 ATOM 388 HZ2 LYS 24 4.842 -48.449 -10.733 1.00 70.31 ATOM 389 HZ3 LYS 24 5.115 -49.737 -11.792 1.00 5.13 ATOM 390 C LYS 24 9.675 -44.415 -8.200 1.00 72.43 ATOM 391 O LYS 24 10.667 -44.877 -7.644 1.00 40.32 ATOM 392 N GLN 25 9.421 -43.107 -8.221 1.00 22.41 ATOM 393 HN GLN 25 8.604 -42.785 -8.655 1.00 37.46 ATOM 394 CA GLN 25 10.351 -42.139 -7.612 1.00 42.44 ATOM 395 HA GLN 25 11.259 -42.155 -8.200 1.00 22.25 ATOM 396 CB GLN 25 9.768 -40.718 -7.657 1.00 55.54 ATOM 397 HB1 GLN 25 8.828 -40.713 -7.126 1.00 37.46 ATOM 398 HB2 GLN 25 9.586 -40.451 -8.689 1.00 53.33 ATOM 399 CG GLN 25 10.671 -39.646 -7.042 1.00 12.14 ATOM 400 HG1 GLN 25 10.843 -39.889 -6.002 1.00 37.46 ATOM 401 HG2 GLN 25 10.164 -38.692 -7.103 1.00 42.54 ATOM 402 CD GLN 25 12.017 -39.520 -7.743 1.00 24.31 ATOM 403 OE1 GLN 25 12.172 -38.748 -8.685 1.00 51.21 ATOM 404 NE2 GLN 25 13.002 -40.273 -7.295 1.00 42.42 ATOM 405 HE21 GLN 25 12.825 -40.871 -6.538 1.00 44.44 ATOM 406 HE22 GLN 25 13.872 -40.203 -7.739 1.00 64.43 ATOM 407 C GLN 25 10.708 -42.518 -6.160 1.00 71.53 ATOM 408 O GLN 25 11.858 -42.376 -5.744 1.00 23.35 ATOM 409 N LEU 26 9.727 -43.019 -5.402 1.00 65.21 ATOM 410 HN LEU 26 8.829 -43.118 -5.786 1.00 37.46 ATOM 411 CA LEU 26 9.961 -43.436 -4.009 1.00 11.42 ATOM 412 HA LEU 26 10.440 -42.614 -3.495 1.00 24.15 ATOM 413 CB LEU 26 8.628 -43.746 -3.310 1.00 33.42 ATOM 414 HB1 LEU 26 8.845 -44.142 -2.326 1.00 37.46 ATOM 415 HB2 LEU 26 8.120 -44.512 -3.880 1.00 22.34 ATOM 416 CG LEU 26 7.673 -42.554 -3.146 1.00 12.15 ATOM 417 HG LEU 26 7.416 -42.173 -4.125 1.00 22.42 ATOM 418 CD1 LEU 26 6.379 -42.994 -2.467 1.00 54.43 ATOM 419 HD11 LEU 26 6.602 -43.407 -1.493 1.00 25.40 ATOM 420 HD12 LEU 26 5.893 -43.745 -3.073 1.00 75.44 ATOM 421 HD13 LEU 26 5.722 -42.144 -2.356 1.00 23.05 ATOM 422 CD2 LEU 26 8.343 -41.425 -2.360 1.00 13.14 ATOM 423 HD21 LEU 26 7.653 -40.599 -2.255 1.00 34.54 ATOM 424 HD22 LEU 26 9.222 -41.091 -2.891 1.00 20.54 ATOM 425 HD23 LEU 26 8.627 -41.782 -1.381 1.00 4.22 ATOM 426 C LEU 26 10.881 -44.668 -3.931 1.00 10.33 ATOM 427 O LEU 26 11.616 -44.853 -2.959 1.00 32.34 ATOM 428 N TYR 27 10.830 -45.508 -4.960 1.00 53.42 ATOM 429 HN TYR 27 10.236 -45.299 -5.710 1.00 37.46 ATOM 430 CA TYR 27 11.642 -46.731 -5.016 1.00 5.34 ATOM 431 HA TYR 27 11.716 -47.135 -4.017 1.00 74.12 ATOM 432 CB TYR 27 10.976 -47.771 -5.934 1.00 3.01 ATOM 433 HB1 TYR 27 11.514 -48.706 -5.848 1.00 37.46 ATOM 434 HB2 TYR 27 11.037 -47.427 -6.957 1.00 43.02 ATOM 435 CG TYR 27 9.509 -48.047 -5.627 1.00 44.22 ATOM 436 CD1 TYR 27 9.104 -49.247 -5.050 1.00 31.23 ATOM 437 HD1 TYR 27 9.849 -49.986 -4.798 1.00 65.32 ATOM 438 CD2 TYR 27 8.527 -47.112 -5.940 1.00 74.52 ATOM 439 HD2 TYR 27 8.820 -46.172 -6.384 1.00 3.22 ATOM 440 CE1 TYR 27 7.766 -49.506 -4.800 1.00 41.43 ATOM 441 HE1 TYR 27 7.472 -50.444 -4.350 1.00 44.12 ATOM 442 CE2 TYR 27 7.192 -47.360 -5.688 1.00 34.32 ATOM 443 HE2 TYR 27 6.448 -46.617 -5.938 1.00 52.13 ATOM 444 CZ TYR 27 6.815 -48.558 -5.121 1.00 22.11 ATOM 445 OH TYR 27 5.477 -48.811 -4.890 1.00 62.24 ATOM 446 HH TYR 27 4.969 -48.522 -5.657 1.00 40.25 ATOM 447 C TYR 27 13.056 -46.425 -5.542 1.00 55.44 ATOM 448 O TYR 27 14.057 -46.941 -5.031 1.00 1.55 ATOM 449 N GLU 28 13.121 -45.560 -6.552 1.00 62.42 ATOM 450 HN GLU 28 12.297 -45.116 -6.842 1.00 37.46 ATOM 451 CA GLU 28 14.373 -45.249 -7.254 1.00 71.22 ATOM 452 HA GLU 28 14.921 -46.172 -7.377 1.00 51.11 ATOM 453 CB GLU 28 14.063 -44.675 -8.644 1.00 4.14 ATOM 454 HB1 GLU 28 14.998 -44.445 -9.141 1.00 37.46 ATOM 455 HB2 GLU 28 13.498 -43.761 -8.525 1.00 21.03 ATOM 456 CG GLU 28 13.264 -45.610 -9.546 1.00 54.30 ATOM 457 HG1 GLU 28 12.301 -45.797 -9.090 1.00 37.46 ATOM 458 HG2 GLU 28 13.801 -46.543 -9.645 1.00 1.11 ATOM 459 CD GLU 28 13.043 -45.025 -10.932 1.00 53.32 ATOM 460 OE1 GLU 28 13.877 -45.278 -11.829 1.00 21.40 ATOM 461 OE2 GLU 28 12.048 -44.296 -11.131 1.00 74.14 ATOM 462 C GLU 28 15.259 -44.256 -6.486 1.00 52.33 ATOM 463 O GLU 28 16.323 -43.877 -6.975 1.00 12.23 ATOM 464 N LEU 29 14.828 -43.830 -5.296 1.00 44.25 ATOM 465 HN LEU 29 13.954 -44.133 -4.971 1.00 37.46 ATOM 466 CA LEU 29 15.620 -42.898 -4.474 1.00 45.42 ATOM 467 HA LEU 29 15.586 -41.929 -4.950 1.00 52.34 ATOM 468 CB LEU 29 15.021 -42.782 -3.062 1.00 34.40 ATOM 469 HB1 LEU 29 15.677 -42.162 -2.465 1.00 37.46 ATOM 470 HB2 LEU 29 14.997 -43.772 -2.624 1.00 1.21 ATOM 471 CG LEU 29 13.603 -42.190 -2.989 1.00 65.15 ATOM 472 HG LEU 29 12.933 -42.818 -3.558 1.00 1.24 ATOM 473 CD1 LEU 29 13.100 -42.165 -1.545 1.00 41.51 ATOM 474 HD11 LEU 29 12.104 -41.748 -1.516 1.00 2.43 ATOM 475 HD12 LEU 29 13.761 -41.559 -0.940 1.00 43.44 ATOM 476 HD13 LEU 29 13.077 -43.172 -1.154 1.00 14.24 ATOM 477 CD2 LEU 29 13.569 -40.789 -3.602 1.00 34.22 ATOM 478 HD21 LEU 29 13.855 -40.843 -4.643 1.00 73.44 ATOM 479 HD22 LEU 29 14.256 -40.143 -3.073 1.00 71.24 ATOM 480 HD23 LEU 29 12.569 -40.387 -3.526 1.00 71.42 ATOM 481 C LEU 29 17.087 -43.350 -4.377 1.00 20.33 ATOM 482 O LEU 29 18.011 -42.565 -4.599 1.00 34.45 ATOM 483 N ASP 30 17.283 -44.615 -4.016 1.00 11.01 ATOM 484 HN ASP 30 16.514 -45.147 -3.739 1.00 37.46 ATOM 485 CA ASP 30 18.616 -45.229 -3.996 1.00 34.14 ATOM 486 HA ASP 30 19.338 -44.483 -4.298 1.00 30.33 ATOM 487 CB ASP 30 18.948 -45.697 -2.578 1.00 5.22 ATOM 488 HB1 ASP 30 19.969 -46.053 -2.553 1.00 37.46 ATOM 489 HB2 ASP 30 18.284 -46.507 -2.306 1.00 12.44 ATOM 490 CG ASP 30 18.798 -44.589 -1.558 1.00 64.52 ATOM 491 OD1 ASP 30 19.780 -43.865 -1.308 1.00 34.13 ATOM 492 OD2 ASP 30 17.691 -44.435 -1.010 1.00 13.34 ATOM 493 C ASP 30 18.701 -46.423 -4.963 1.00 4.22 ATOM 494 O ASP 30 19.793 -46.869 -5.319 1.00 62.42 ATOM 495 N GLY 31 17.541 -46.930 -5.395 1.00 54.43 ATOM 496 HN GLY 31 16.715 -46.427 -5.249 1.00 37.46 ATOM 497 CA GLY 31 17.499 -48.208 -6.100 1.00 72.22 ATOM 498 HA1 GLY 31 18.203 -48.187 -6.920 1.00 37.46 ATOM 499 HA2 GLY 31 16.504 -48.362 -6.494 1.00 43.30 ATOM 500 C GLY 31 17.853 -49.364 -5.169 1.00 63.54 ATOM 501 O GLY 31 18.590 -50.280 -5.537 1.00 31.11 ATOM 502 N ASP 32 17.311 -49.309 -3.955 1.00 31.23 ATOM 503 HN ASP 32 16.617 -48.644 -3.785 1.00 37.46 ATOM 504 CA ASP 32 17.700 -50.211 -2.865 1.00 11.43 ATOM 505 HA ASP 32 18.666 -50.629 -3.106 1.00 21.45 ATOM 506 CB ASP 32 17.822 -49.383 -1.577 1.00 72.45 ATOM 507 HB1 ASP 32 16.874 -48.901 -1.380 1.00 37.46 ATOM 508 HB2 ASP 32 18.578 -48.623 -1.718 1.00 32.45 ATOM 509 CG ASP 32 18.200 -50.214 -0.367 1.00 30.55 ATOM 510 OD1 ASP 32 17.290 -50.681 0.341 1.00 41.01 ATOM 511 OD2 ASP 32 19.408 -50.399 -0.122 1.00 40.41 ATOM 512 C ASP 32 16.688 -51.361 -2.675 1.00 20.33 ATOM 513 O ASP 32 15.475 -51.144 -2.743 1.00 15.01 ATOM 514 N PRO 33 17.178 -52.600 -2.429 1.00 13.00 ATOM 515 CA PRO 33 16.313 -53.778 -2.193 1.00 63.34 ATOM 516 HA PRO 33 15.709 -53.995 -3.063 1.00 51.11 ATOM 517 CB PRO 33 17.316 -54.927 -1.967 1.00 22.50 ATOM 518 HB1 PRO 33 17.415 -55.503 -2.876 1.00 37.46 ATOM 519 HB2 PRO 33 16.968 -55.569 -1.169 1.00 54.21 ATOM 520 CG PRO 33 18.599 -54.255 -1.610 1.00 23.10 ATOM 521 HG1 PRO 33 19.435 -54.875 -1.905 1.00 37.46 ATOM 522 HG2 PRO 33 18.631 -54.065 -0.545 1.00 4.32 ATOM 523 CD PRO 33 18.610 -52.960 -2.373 1.00 21.01 ATOM 524 HD1 PRO 33 19.011 -53.105 -3.366 1.00 37.46 ATOM 525 HD2 PRO 33 19.179 -52.211 -1.840 1.00 33.11 ATOM 526 C PRO 33 15.387 -53.616 -0.971 1.00 52.32 ATOM 527 O PRO 33 14.184 -53.865 -1.057 1.00 55.52 ATOM 528 N LYS 34 15.946 -53.182 0.157 1.00 43.34 ATOM 529 HN LYS 34 16.904 -52.973 0.165 1.00 37.46 ATOM 530 CA LYS 34 15.163 -52.984 1.384 1.00 55.53 ATOM 531 HA LYS 34 14.672 -53.918 1.619 1.00 14.31 ATOM 532 CB LYS 34 16.090 -52.598 2.548 1.00 2.22 ATOM 533 HB1 LYS 34 15.485 -52.374 3.417 1.00 37.46 ATOM 534 HB2 LYS 34 16.641 -51.709 2.272 1.00 72.55 ATOM 535 CG LYS 34 17.097 -53.681 2.932 1.00 43.13 ATOM 536 HG1 LYS 34 17.844 -53.251 3.585 1.00 37.46 ATOM 537 HG2 LYS 34 17.577 -54.047 2.034 1.00 40.22 ATOM 538 CD LYS 34 16.433 -54.856 3.648 1.00 72.11 ATOM 539 HD1 LYS 34 17.181 -55.611 3.846 1.00 37.46 ATOM 540 HD2 LYS 34 15.665 -55.269 3.009 1.00 21.24 ATOM 541 CE LYS 34 15.801 -54.426 4.968 1.00 41.22 ATOM 542 HE1 LYS 34 15.007 -53.721 4.762 1.00 37.46 ATOM 543 HE2 LYS 34 16.555 -53.947 5.575 1.00 73.45 ATOM 544 NZ LYS 34 15.240 -55.576 5.725 1.00 52.11 ATOM 545 HZ1 LYS 34 14.882 -55.256 6.647 1.00 31.03 ATOM 546 HZ2 LYS 34 15.976 -56.293 5.886 1.00 14.44 ATOM 547 HZ3 LYS 34 14.460 -56.012 5.196 1.00 50.45 ATOM 548 C LYS 34 14.096 -51.897 1.191 1.00 11.22 ATOM 549 O LYS 34 13.045 -51.920 1.834 1.00 14.13 ATOM 550 N ARG 35 14.376 -50.952 0.294 1.00 4.51 ATOM 551 HN ARG 35 15.222 -51.008 -0.203 1.00 37.46 ATOM 552 CA ARG 35 13.476 -49.823 0.049 1.00 74.42 ATOM 553 HA ARG 35 13.329 -49.324 0.997 1.00 61.20 ATOM 554 CB ARG 35 14.113 -48.822 -0.927 1.00 65.41 ATOM 555 HB1 ARG 35 14.218 -49.293 -1.895 1.00 37.46 ATOM 556 HB2 ARG 35 15.094 -48.554 -0.559 1.00 72.32 ATOM 557 CG ARG 35 13.292 -47.543 -1.095 1.00 20.41 ATOM 558 HG1 ARG 35 12.881 -47.266 -0.134 1.00 37.46 ATOM 559 HG2 ARG 35 12.483 -47.737 -1.784 1.00 13.33 ATOM 560 CD ARG 35 14.120 -46.369 -1.633 1.00 71.52 ATOM 561 HD1 ARG 35 13.503 -45.481 -1.614 1.00 37.46 ATOM 562 HD2 ARG 35 14.390 -46.584 -2.656 1.00 74.31 ATOM 563 NE ARG 35 15.359 -46.098 -0.875 1.00 24.53 ATOM 564 HE ARG 35 16.140 -45.817 -1.394 1.00 4.22 ATOM 565 CZ ARG 35 15.515 -46.187 0.428 1.00 3.14 ATOM 566 NH1 ARG 35 14.542 -46.503 1.215 1.00 4.42 ATOM 567 HH11 ARG 35 13.641 -46.679 0.849 1.00 73.41 ATOM 568 HH12 ARG 35 14.712 -46.595 2.192 1.00 42.31 ATOM 569 NH2 ARG 35 16.663 -45.920 0.944 1.00 3.04 ATOM 570 HH21 ARG 35 17.420 -45.641 0.354 1.00 62.33 ATOM 571 HH22 ARG 35 16.800 -45.997 1.928 1.00 13.21 ATOM 572 C ARG 35 12.101 -50.269 -0.473 1.00 11.14 ATOM 573 O ARG 35 11.080 -49.969 0.145 1.00 41.33 ATOM 574 N LYS 36 12.067 -50.979 -1.606 1.00 72.43 ATOM 575 HN LYS 36 12.908 -51.219 -2.046 1.00 37.46 ATOM 576 CA LYS 36 10.783 -51.403 -2.191 1.00 33.24 ATOM 577 HA LYS 36 10.170 -50.514 -2.269 1.00 25.22 ATOM 578 CB LYS 36 10.947 -51.998 -3.605 1.00 55.14 ATOM 579 HB1 LYS 36 11.474 -51.280 -4.219 1.00 37.46 ATOM 580 HB2 LYS 36 9.962 -52.149 -4.027 1.00 13.44 ATOM 581 CG LYS 36 11.696 -53.331 -3.676 1.00 4.23 ATOM 582 HG1 LYS 36 11.347 -53.879 -4.541 1.00 37.46 ATOM 583 HG2 LYS 36 11.477 -53.902 -2.785 1.00 2.03 ATOM 584 CD LYS 36 13.208 -53.153 -3.785 1.00 70.24 ATOM 585 HD1 LYS 36 13.673 -54.130 -3.801 1.00 37.46 ATOM 586 HD2 LYS 36 13.563 -52.605 -2.924 1.00 5.13 ATOM 587 CE LYS 36 13.607 -52.400 -5.048 1.00 13.44 ATOM 588 HE1 LYS 36 14.682 -52.293 -5.062 1.00 37.46 ATOM 589 HE2 LYS 36 13.152 -51.420 -5.029 1.00 44.01 ATOM 590 NZ LYS 36 13.178 -53.109 -6.285 1.00 64.21 ATOM 591 HZ1 LYS 36 13.556 -54.079 -6.291 1.00 40.54 ATOM 592 HZ2 LYS 36 13.532 -52.606 -7.124 1.00 62.04 ATOM 593 HZ3 LYS 36 12.140 -53.152 -6.335 1.00 4.22 ATOM 594 C LYS 36 10.045 -52.396 -1.279 1.00 53.21 ATOM 595 O LYS 36 8.817 -52.437 -1.268 1.00 44.05 ATOM 596 N GLU 37 10.797 -53.191 -0.514 1.00 42.42 ATOM 597 HN GLU 37 11.771 -53.172 -0.617 1.00 37.46 ATOM 598 CA GLU 37 10.199 -54.101 0.473 1.00 2.30 ATOM 599 HA GLU 37 9.487 -54.729 -0.046 1.00 55.14 ATOM 600 CB GLU 37 11.277 -54.992 1.114 1.00 25.24 ATOM 601 HB1 GLU 37 10.802 -55.657 1.823 1.00 37.46 ATOM 602 HB2 GLU 37 11.980 -54.363 1.644 1.00 3.03 ATOM 603 CG GLU 37 12.056 -55.841 0.112 1.00 70.12 ATOM 604 HG1 GLU 37 12.567 -55.182 -0.576 1.00 37.46 ATOM 605 HG2 GLU 37 11.358 -56.456 -0.439 1.00 12.21 ATOM 606 CD GLU 37 13.085 -56.746 0.777 1.00 42.02 ATOM 607 OE1 GLU 37 12.973 -57.984 0.650 1.00 4.51 ATOM 608 OE2 GLU 37 14.009 -56.227 1.440 1.00 5.04 ATOM 609 C GLU 37 9.458 -53.307 1.559 1.00 64.25 ATOM 610 O GLU 37 8.269 -53.526 1.806 1.00 24.45 ATOM 611 N PHE 38 10.168 -52.371 2.192 1.00 42.33 ATOM 612 HN PHE 38 11.122 -52.278 1.981 1.00 37.46 ATOM 613 CA PHE 38 9.574 -51.480 3.196 1.00 15.43 ATOM 614 HA PHE 38 9.269 -52.085 4.038 1.00 23.34 ATOM 615 CB PHE 38 10.617 -50.452 3.666 1.00 63.33 ATOM 616 HB1 PHE 38 10.972 -49.896 2.808 1.00 37.46 ATOM 617 HB2 PHE 38 11.450 -50.978 4.109 1.00 71.32 ATOM 618 CG PHE 38 10.101 -49.457 4.685 1.00 71.33 ATOM 619 CD1 PHE 38 9.454 -48.294 4.281 1.00 25.44 ATOM 620 HD1 PHE 38 9.315 -48.103 3.227 1.00 1.23 ATOM 621 CD2 PHE 38 10.269 -49.680 6.046 1.00 71.11 ATOM 622 HD2 PHE 38 10.770 -50.578 6.378 1.00 63.30 ATOM 623 CE1 PHE 38 8.986 -47.383 5.210 1.00 22.24 ATOM 624 HE1 PHE 38 8.484 -46.484 4.880 1.00 63.25 ATOM 625 CE2 PHE 38 9.802 -48.770 6.976 1.00 50.24 ATOM 626 HE2 PHE 38 9.940 -48.957 8.032 1.00 34.42 ATOM 627 CZ PHE 38 9.160 -47.621 6.558 1.00 50.10 ATOM 628 HZ PHE 38 8.795 -46.909 7.284 1.00 61.52 ATOM 629 C PHE 38 8.343 -50.753 2.632 1.00 45.21 ATOM 630 O PHE 38 7.305 -50.661 3.291 1.00 10.01 ATOM 631 N LEU 39 8.474 -50.231 1.413 1.00 11.52 ATOM 632 HN LEU 39 9.332 -50.325 0.946 1.00 37.46 ATOM 633 CA LEU 39 7.376 -49.520 0.751 1.00 4.31 ATOM 634 HA LEU 39 7.077 -48.710 1.401 1.00 33.31 ATOM 635 CB LEU 39 7.849 -48.927 -0.584 1.00 55.24 ATOM 636 HB1 LEU 39 6.989 -48.528 -1.104 1.00 37.46 ATOM 637 HB2 LEU 39 8.266 -49.728 -1.180 1.00 54.23 ATOM 638 CG LEU 39 8.902 -47.810 -0.470 1.00 74.24 ATOM 639 HG LEU 39 9.783 -48.207 0.015 1.00 21.32 ATOM 640 CD1 LEU 39 9.317 -47.317 -1.853 1.00 44.14 ATOM 641 HD11 LEU 39 10.050 -46.530 -1.751 1.00 64.21 ATOM 642 HD12 LEU 39 8.453 -46.936 -2.378 1.00 31.53 ATOM 643 HD13 LEU 39 9.745 -48.136 -2.415 1.00 61.44 ATOM 644 CD2 LEU 39 8.377 -46.654 0.382 1.00 53.12 ATOM 645 HD21 LEU 39 8.147 -47.012 1.376 1.00 72.30 ATOM 646 HD22 LEU 39 7.483 -46.248 -0.068 1.00 44.12 ATOM 647 HD23 LEU 39 9.131 -45.882 0.444 1.00 61.55 ATOM 648 C LEU 39 6.162 -50.433 0.527 1.00 61.11 ATOM 649 O LEU 39 5.035 -50.059 0.846 1.00 62.22 ATOM 650 N ASP 40 6.392 -51.630 -0.009 1.00 64.31 ATOM 651 HN ASP 40 7.305 -51.869 -0.273 1.00 37.46 ATOM 652 CA ASP 40 5.310 -52.597 -0.222 1.00 42.05 ATOM 653 HA ASP 40 4.604 -52.146 -0.908 1.00 4.14 ATOM 654 CB ASP 40 5.854 -53.882 -0.852 1.00 51.14 ATOM 655 HB1 ASP 40 6.625 -54.290 -0.213 1.00 37.46 ATOM 656 HB2 ASP 40 6.279 -53.651 -1.818 1.00 74.15 ATOM 657 CG ASP 40 4.772 -54.931 -1.041 1.00 24.12 ATOM 658 OD1 ASP 40 4.754 -55.919 -0.276 1.00 4.24 ATOM 659 OD2 ASP 40 3.923 -54.764 -1.942 1.00 44.22 ATOM 660 C ASP 40 4.578 -52.910 1.095 1.00 55.14 ATOM 661 O ASP 40 3.346 -52.951 1.137 1.00 40.13 ATOM 662 N ASP 41 5.337 -53.133 2.170 1.00 51.10 ATOM 663 HN ASP 41 6.314 -53.181 2.066 1.00 37.46 ATOM 664 CA ASP 41 4.746 -53.312 3.502 1.00 54.34 ATOM 665 HA ASP 41 4.063 -54.149 3.442 1.00 35.34 ATOM 666 CB ASP 41 5.827 -53.633 4.542 1.00 14.30 ATOM 667 HB1 ASP 41 5.425 -53.479 5.535 1.00 37.46 ATOM 668 HB2 ASP 41 6.669 -52.970 4.395 1.00 3.24 ATOM 669 CG ASP 41 6.316 -55.066 4.441 1.00 63.51 ATOM 670 OD1 ASP 41 5.611 -55.971 4.939 1.00 71.45 ATOM 671 OD2 ASP 41 7.399 -55.297 3.865 1.00 73.23 ATOM 672 C ASP 41 3.950 -52.069 3.930 1.00 2.31 ATOM 673 O ASP 41 2.833 -52.182 4.428 1.00 60.10 ATOM 674 N LEU 42 4.526 -50.888 3.711 1.00 41.01 ATOM 675 HN LEU 42 5.414 -50.865 3.293 1.00 37.46 ATOM 676 CA LEU 42 3.877 -49.620 4.071 1.00 12.02 ATOM 677 HA LEU 42 3.711 -49.624 5.140 1.00 5.55 ATOM 678 CB LEU 42 4.802 -48.445 3.715 1.00 22.31 ATOM 679 HB1 LEU 42 5.056 -48.524 2.667 1.00 37.46 ATOM 680 HB2 LEU 42 5.710 -48.545 4.293 1.00 30.13 ATOM 681 CG LEU 42 4.224 -47.041 3.964 1.00 34.14 ATOM 682 HG LEU 42 3.273 -46.960 3.454 1.00 1.24 ATOM 683 CD1 LEU 42 3.969 -46.811 5.452 1.00 54.42 ATOM 684 HD11 LEU 42 3.282 -47.560 5.819 1.00 20.14 ATOM 685 HD12 LEU 42 3.539 -45.831 5.596 1.00 5.24 ATOM 686 HD13 LEU 42 4.901 -46.879 5.995 1.00 65.31 ATOM 687 CD2 LEU 42 5.152 -45.969 3.393 1.00 51.41 ATOM 688 HD21 LEU 42 5.264 -46.119 2.330 1.00 72.14 ATOM 689 HD22 LEU 42 6.120 -46.036 3.870 1.00 32.11 ATOM 690 HD23 LEU 42 4.729 -44.991 3.575 1.00 32.43 ATOM 691 C LEU 42 2.522 -49.452 3.358 1.00 13.22 ATOM 692 O LEU 42 1.478 -49.340 4.004 1.00 64.44 ATOM 693 N PHE 43 2.548 -49.464 2.023 1.00 33.44 ATOM 694 HN PHE 43 3.407 -49.593 1.570 1.00 37.46 ATOM 695 CA PHE 43 1.336 -49.282 1.215 1.00 24.24 ATOM 696 HA PHE 43 0.918 -48.318 1.467 1.00 65.30 ATOM 697 CB PHE 43 1.675 -49.296 -0.285 1.00 51.11 ATOM 698 HB1 PHE 43 0.764 -49.172 -0.853 1.00 37.46 ATOM 699 HB2 PHE 43 2.119 -50.249 -0.536 1.00 62.24 ATOM 700 CG PHE 43 2.637 -48.209 -0.710 1.00 15.21 ATOM 701 CD1 PHE 43 2.374 -46.876 -0.426 1.00 3.24 ATOM 702 HD1 PHE 43 1.475 -46.616 0.113 1.00 54.12 ATOM 703 CD2 PHE 43 3.798 -48.521 -1.403 1.00 75.35 ATOM 704 HD2 PHE 43 4.017 -49.554 -1.635 1.00 24.52 ATOM 705 CE1 PHE 43 3.249 -45.881 -0.820 1.00 12.24 ATOM 706 HE1 PHE 43 3.031 -44.847 -0.591 1.00 5.31 ATOM 707 CE2 PHE 43 4.676 -47.528 -1.799 1.00 51.35 ATOM 708 HE2 PHE 43 5.576 -47.786 -2.337 1.00 33.45 ATOM 709 CZ PHE 43 4.401 -46.208 -1.506 1.00 0.13 ATOM 710 HZ PHE 43 5.087 -45.432 -1.814 1.00 53.33 ATOM 711 C PHE 43 0.289 -50.363 1.517 1.00 60.05 ATOM 712 O PHE 43 -0.877 -50.057 1.772 1.00 51.24 ATOM 713 N SER 44 0.714 -51.624 1.500 1.00 65.41 ATOM 714 HN SER 44 1.660 -51.804 1.311 1.00 37.46 ATOM 715 CA SER 44 -0.197 -52.751 1.755 1.00 4.55 ATOM 716 HA SER 44 -0.990 -52.701 1.019 1.00 40.43 ATOM 717 CB SER 44 0.533 -54.093 1.599 1.00 42.02 ATOM 718 HB1 SER 44 -0.159 -54.901 1.795 1.00 37.46 ATOM 719 HB2 SER 44 1.349 -54.143 2.305 1.00 53.04 ATOM 720 OG SER 44 1.057 -54.252 0.288 1.00 12.31 ATOM 721 HG SER 44 1.870 -53.737 0.201 1.00 33.23 ATOM 722 C SER 44 -0.824 -52.667 3.154 1.00 24.32 ATOM 723 O SER 44 -2.035 -52.827 3.306 1.00 14.13 ATOM 724 N PHE 45 0.003 -52.407 4.169 1.00 52.45 ATOM 725 HN PHE 45 0.956 -52.264 3.981 1.00 37.46 ATOM 726 CA PHE 45 -0.466 -52.324 5.560 1.00 53.02 ATOM 727 HA PHE 45 -0.898 -53.283 5.814 1.00 22.32 ATOM 728 CB PHE 45 0.721 -52.057 6.504 1.00 34.30 ATOM 729 HB1 PHE 45 1.262 -51.189 6.154 1.00 37.46 ATOM 730 HB2 PHE 45 1.382 -52.913 6.490 1.00 62.42 ATOM 731 CG PHE 45 0.315 -51.810 7.934 1.00 30.23 ATOM 732 CD1 PHE 45 -0.235 -52.828 8.697 1.00 35.34 ATOM 733 HD1 PHE 45 -0.358 -53.809 8.263 1.00 1.55 ATOM 734 CD2 PHE 45 0.472 -50.556 8.509 1.00 23.11 ATOM 735 HD2 PHE 45 0.905 -49.756 7.926 1.00 61.03 ATOM 736 CE1 PHE 45 -0.624 -52.599 10.001 1.00 44.22 ATOM 737 HE1 PHE 45 -1.051 -53.401 10.586 1.00 32.14 ATOM 738 CE2 PHE 45 0.087 -50.324 9.813 1.00 0.51 ATOM 739 HE2 PHE 45 0.214 -49.345 10.247 1.00 62.00 ATOM 740 CZ PHE 45 -0.463 -51.345 10.560 1.00 1.04 ATOM 741 HZ PHE 45 -0.767 -51.165 11.582 1.00 54.14 ATOM 742 C PHE 45 -1.547 -51.243 5.741 1.00 1.13 ATOM 743 O PHE 45 -2.672 -51.541 6.152 1.00 40.23 ATOM 744 N MET 46 -1.215 -49.992 5.421 1.00 34.42 ATOM 745 HN MET 46 -0.317 -49.807 5.063 1.00 37.46 ATOM 746 CA MET 46 -2.166 -48.887 5.594 1.00 71.34 ATOM 747 HA MET 46 -2.492 -48.909 6.627 1.00 70.22 ATOM 748 CB MET 46 -1.495 -47.531 5.329 1.00 45.21 ATOM 749 HB1 MET 46 -0.681 -47.401 6.031 1.00 37.46 ATOM 750 HB2 MET 46 -2.223 -46.748 5.496 1.00 13.01 ATOM 751 CG MET 46 -0.941 -47.362 3.922 1.00 51.40 ATOM 752 HG1 MET 46 -1.755 -47.434 3.213 1.00 37.46 ATOM 753 HG2 MET 46 -0.227 -48.151 3.730 1.00 23.41 ATOM 754 SD MET 46 -0.120 -45.773 3.701 1.00 14.53 ATOM 755 CE MET 46 -1.441 -44.646 4.148 1.00 1.41 ATOM 756 HE1 MET 46 -2.260 -44.757 3.452 1.00 64.21 ATOM 757 HE2 MET 46 -1.075 -43.632 4.115 1.00 30.24 ATOM 758 HE3 MET 46 -1.785 -44.871 5.147 1.00 15.32 ATOM 759 C MET 46 -3.409 -49.071 4.701 1.00 15.42 ATOM 760 O MET 46 -4.520 -48.699 5.083 1.00 35.24 ATOM 761 N GLN 47 -3.225 -49.667 3.523 1.00 44.45 ATOM 762 HN GLN 47 -2.313 -49.893 3.238 1.00 37.46 ATOM 763 CA GLN 47 -4.353 -49.984 2.637 1.00 31.14 ATOM 764 HA GLN 47 -4.867 -49.060 2.413 1.00 52.24 ATOM 765 CB GLN 47 -3.851 -50.611 1.325 1.00 63.11 ATOM 766 HB1 GLN 47 -3.372 -51.554 1.551 1.00 37.46 ATOM 767 HB2 GLN 47 -3.121 -49.948 0.880 1.00 14.42 ATOM 768 CG GLN 47 -4.954 -50.867 0.298 1.00 1.30 ATOM 769 HG1 GLN 47 -5.408 -49.922 0.035 1.00 37.46 ATOM 770 HG2 GLN 47 -5.701 -51.508 0.745 1.00 64.15 ATOM 771 CD GLN 47 -4.447 -51.536 -0.973 1.00 4.34 ATOM 772 OE1 GLN 47 -3.499 -52.317 -0.946 1.00 71.30 ATOM 773 NE2 GLN 47 -5.064 -51.228 -2.096 1.00 24.02 ATOM 774 HE21 GLN 47 -5.808 -50.595 -2.058 1.00 41.43 ATOM 775 HE22 GLN 47 -4.753 -51.649 -2.923 1.00 14.15 ATOM 776 C GLN 47 -5.335 -50.944 3.327 1.00 63.01 ATOM 777 O GLN 47 -6.545 -50.713 3.337 1.00 50.15 ATOM 778 N LYS 48 -4.793 -52.006 3.929 1.00 1.21 ATOM 779 HN LYS 48 -3.815 -52.104 3.926 1.00 37.46 ATOM 780 CA LYS 48 -5.607 -53.036 4.592 1.00 40.54 ATOM 781 HA LYS 48 -6.322 -53.397 3.865 1.00 50.24 ATOM 782 CB LYS 48 -4.719 -54.214 5.023 1.00 60.30 ATOM 783 HB1 LYS 48 -5.318 -54.918 5.584 1.00 37.46 ATOM 784 HB2 LYS 48 -3.925 -53.842 5.658 1.00 45.05 ATOM 785 CG LYS 48 -4.088 -54.953 3.845 1.00 21.24 ATOM 786 HG1 LYS 48 -3.555 -54.237 3.235 1.00 37.46 ATOM 787 HG2 LYS 48 -4.876 -55.404 3.258 1.00 75.33 ATOM 788 CD LYS 48 -3.117 -56.048 4.287 1.00 61.11 ATOM 789 HD1 LYS 48 -3.661 -56.795 4.849 1.00 37.46 ATOM 790 HD2 LYS 48 -2.354 -55.610 4.915 1.00 61.55 ATOM 791 CE LYS 48 -2.446 -56.719 3.090 1.00 24.42 ATOM 792 HE1 LYS 48 -1.871 -55.977 2.551 1.00 37.46 ATOM 793 HE2 LYS 48 -3.211 -57.117 2.440 1.00 54.13 ATOM 794 NZ LYS 48 -1.539 -57.826 3.495 1.00 15.33 ATOM 795 HZ1 LYS 48 -2.072 -58.554 4.016 1.00 24.43 ATOM 796 HZ2 LYS 48 -0.776 -57.467 4.102 1.00 24.02 ATOM 797 HZ3 LYS 48 -1.113 -58.264 2.653 1.00 50.23 ATOM 798 C LYS 48 -6.387 -52.485 5.798 1.00 33.30 ATOM 799 O LYS 48 -7.463 -52.989 6.128 1.00 2.54 ATOM 800 N ARG 49 -5.858 -51.451 6.458 1.00 74.11 ATOM 801 HN ARG 49 -4.975 -51.110 6.194 1.00 37.46 ATOM 802 CA ARG 49 -6.570 -50.836 7.589 1.00 63.32 ATOM 803 HA ARG 49 -7.090 -51.631 8.108 1.00 10.22 ATOM 804 CB ARG 49 -5.599 -50.168 8.579 1.00 32.52 ATOM 805 HB1 ARG 49 -4.824 -50.878 8.832 1.00 37.46 ATOM 806 HB2 ARG 49 -6.146 -49.920 9.478 1.00 15.14 ATOM 807 CG ARG 49 -4.930 -48.894 8.064 1.00 13.00 ATOM 808 HG1 ARG 49 -5.655 -48.318 7.505 1.00 37.46 ATOM 809 HG2 ARG 49 -4.110 -49.166 7.414 1.00 44.43 ATOM 810 CD ARG 49 -4.395 -48.038 9.211 1.00 3.14 ATOM 811 HD1 ARG 49 -3.962 -47.137 8.802 1.00 37.46 ATOM 812 HD2 ARG 49 -3.635 -48.596 9.741 1.00 14.44 ATOM 813 NE ARG 49 -5.465 -47.675 10.144 1.00 60.50 ATOM 814 HE ARG 49 -6.368 -47.963 9.919 1.00 10.04 ATOM 815 CZ ARG 49 -5.303 -47.018 11.262 1.00 51.45 ATOM 816 NH1 ARG 49 -4.149 -46.536 11.590 1.00 44.33 ATOM 817 HH11 ARG 49 -3.371 -46.661 10.986 1.00 54.33 ATOM 818 HH12 ARG 49 -4.047 -46.032 12.441 1.00 32.51 ATOM 819 NH2 ARG 49 -6.326 -46.810 12.028 1.00 53.14 ATOM 820 HH21 ARG 49 -7.228 -47.149 11.757 1.00 21.32 ATOM 821 HH22 ARG 49 -6.218 -46.318 12.892 1.00 35.44 ATOM 822 C ARG 49 -7.622 -49.814 7.115 1.00 52.52 ATOM 823 O ARG 49 -8.380 -49.274 7.923 1.00 12.10 ATOM 824 N GLY 50 -7.660 -49.545 5.808 1.00 1.23 ATOM 825 HN GLY 50 -7.001 -49.964 5.216 1.00 37.46 ATOM 826 CA GLY 50 -8.681 -48.658 5.248 1.00 74.41 ATOM 827 HA1 GLY 50 -9.465 -48.522 5.982 1.00 37.46 ATOM 828 HA2 GLY 50 -9.108 -49.139 4.382 1.00 4.50 ATOM 829 C GLY 50 -8.166 -47.282 4.822 1.00 43.44 ATOM 830 O GLY 50 -8.912 -46.300 4.858 1.00 44.22 ATOM 831 N THR 51 -6.896 -47.198 4.414 1.00 13.12 ATOM 832 HN THR 51 -6.324 -47.994 4.464 1.00 37.46 ATOM 833 CA THR 51 -6.330 -45.935 3.902 1.00 53.25 ATOM 834 HA THR 51 -7.089 -45.475 3.281 1.00 24.30 ATOM 835 CB THR 51 -5.987 -44.933 5.045 1.00 41.32 ATOM 836 HB THR 51 -6.913 -44.605 5.496 1.00 3.03 ATOM 837 OG1 THR 51 -5.305 -43.780 4.516 1.00 54.44 ATOM 838 HG1 THR 51 -4.680 -43.452 5.176 1.00 72.44 ATOM 839 CG2 THR 51 -5.129 -45.581 6.131 1.00 64.44 ATOM 840 HG21 THR 51 -4.187 -45.897 5.706 1.00 31.13 ATOM 841 HG22 THR 51 -5.645 -46.439 6.537 1.00 2.13 ATOM 842 HG23 THR 51 -4.946 -44.866 6.920 1.00 53.14 ATOM 843 C THR 51 -5.080 -46.169 3.029 1.00 75.23 ATOM 844 O THR 51 -3.963 -46.257 3.531 1.00 44.24 ATOM 845 N PRO 52 -5.259 -46.304 1.699 1.00 53.23 ATOM 846 CA PRO 52 -4.134 -46.424 0.756 1.00 51.11 ATOM 847 HA PRO 52 -3.342 -47.043 1.155 1.00 51.13 ATOM 848 CB PRO 52 -4.784 -47.118 -0.442 1.00 72.15 ATOM 849 HB1 PRO 52 -4.747 -48.190 -0.305 1.00 37.46 ATOM 850 HB2 PRO 52 -4.261 -46.850 -1.351 1.00 32.11 ATOM 851 CG PRO 52 -6.193 -46.615 -0.443 1.00 41.41 ATOM 852 HG1 PRO 52 -6.848 -47.358 -0.878 1.00 37.46 ATOM 853 HG2 PRO 52 -6.252 -45.693 -1.003 1.00 31.52 ATOM 854 CD PRO 52 -6.563 -46.373 1.005 1.00 31.22 ATOM 855 HD1 PRO 52 -7.155 -47.194 1.384 1.00 37.46 ATOM 856 HD2 PRO 52 -7.104 -45.441 1.106 1.00 35.21 ATOM 857 C PRO 52 -3.562 -45.055 0.347 1.00 33.13 ATOM 858 O PRO 52 -4.245 -44.033 0.441 1.00 41.42 ATOM 859 N VAL 53 -2.313 -45.030 -0.112 1.00 64.11 ATOM 860 HN VAL 53 -1.804 -45.867 -0.174 1.00 37.46 ATOM 861 CA VAL 53 -1.685 -43.774 -0.536 1.00 44.30 ATOM 862 HA VAL 53 -1.992 -43.002 0.159 1.00 71.32 ATOM 863 CB VAL 53 -0.136 -43.861 -0.500 1.00 63.23 ATOM 864 HB VAL 53 0.179 -44.602 -1.224 1.00 61.24 ATOM 865 CG1 VAL 53 0.501 -42.522 -0.886 1.00 74.30 ATOM 866 HG11 VAL 53 0.171 -41.753 -0.201 1.00 42.40 ATOM 867 HG12 VAL 53 0.206 -42.258 -1.891 1.00 51.51 ATOM 868 HG13 VAL 53 1.577 -42.606 -0.839 1.00 52.34 ATOM 869 CG2 VAL 53 0.345 -44.309 0.879 1.00 61.41 ATOM 870 HG21 VAL 53 0.047 -43.582 1.622 1.00 1.50 ATOM 871 HG22 VAL 53 1.422 -44.398 0.875 1.00 1.31 ATOM 872 HG23 VAL 53 -0.092 -45.268 1.120 1.00 33.33 ATOM 873 C VAL 53 -2.154 -43.371 -1.945 1.00 74.25 ATOM 874 O VAL 53 -1.487 -43.646 -2.947 1.00 51.13 ATOM 875 N ASN 54 -3.332 -42.752 -2.018 1.00 25.33 ATOM 876 HN ASN 54 -3.856 -42.631 -1.198 1.00 37.46 ATOM 877 CA ASN 54 -3.877 -42.278 -3.293 1.00 73.11 ATOM 878 HA ASN 54 -3.826 -43.099 -3.996 1.00 32.21 ATOM 879 CB ASN 54 -5.345 -41.865 -3.121 1.00 61.44 ATOM 880 HB1 ASN 54 -5.721 -41.486 -4.061 1.00 37.46 ATOM 881 HB2 ASN 54 -5.407 -41.085 -2.374 1.00 3.53 ATOM 882 CG ASN 54 -6.225 -43.024 -2.682 1.00 33.42 ATOM 883 OD1 ASN 54 -5.960 -44.181 -2.995 1.00 71.21 ATOM 884 ND2 ASN 54 -7.284 -42.726 -1.954 1.00 63.43 ATOM 885 HD21 ASN 54 -7.448 -41.789 -1.733 1.00 5.43 ATOM 886 HD22 ASN 54 -7.861 -43.460 -1.665 1.00 2.12 ATOM 887 C ASN 54 -3.046 -41.109 -3.847 1.00 42.24 ATOM 888 O ASN 54 -2.760 -41.046 -5.042 1.00 64.40 ATOM 889 N ARG 55 -2.656 -40.186 -2.966 1.00 21.02 ATOM 890 HN ARG 55 -2.953 -40.262 -2.036 1.00 37.46 ATOM 891 CA ARG 55 -1.778 -39.071 -3.348 1.00 24.24 ATOM 892 HA ARG 55 -1.460 -39.241 -4.369 1.00 43.23 ATOM 893 CB ARG 55 -2.517 -37.721 -3.284 1.00 72.42 ATOM 894 HB1 ARG 55 -3.306 -37.729 -4.024 1.00 37.46 ATOM 895 HB2 ARG 55 -1.819 -36.935 -3.537 1.00 12.13 ATOM 896 CG ARG 55 -3.140 -37.388 -1.922 1.00 44.42 ATOM 897 HG1 ARG 55 -3.181 -36.313 -1.809 1.00 37.46 ATOM 898 HG2 ARG 55 -2.521 -37.806 -1.140 1.00 24.41 ATOM 899 CD ARG 55 -4.551 -37.953 -1.788 1.00 3.00 ATOM 900 HD1 ARG 55 -4.938 -37.702 -0.811 1.00 37.46 ATOM 901 HD2 ARG 55 -4.507 -39.028 -1.894 1.00 2.30 ATOM 902 NE ARG 55 -5.442 -37.406 -2.810 1.00 51.30 ATOM 903 HE ARG 55 -5.176 -36.564 -3.234 1.00 40.44 ATOM 904 CZ ARG 55 -6.551 -37.970 -3.203 1.00 22.44 ATOM 905 NH1 ARG 55 -6.969 -39.068 -2.659 1.00 72.04 ATOM 906 HH11 ARG 55 -6.448 -39.491 -1.923 1.00 63.00 ATOM 907 HH12 ARG 55 -7.811 -39.497 -2.991 1.00 61.43 ATOM 908 NH2 ARG 55 -7.250 -37.426 -4.144 1.00 11.03 ATOM 909 HH21 ARG 55 -6.941 -36.579 -4.573 1.00 42.10 ATOM 910 HH22 ARG 55 -8.106 -37.853 -4.439 1.00 20.02 ATOM 911 C ARG 55 -0.528 -39.019 -2.458 1.00 31.41 ATOM 912 O ARG 55 -0.615 -39.121 -1.233 1.00 45.42 ATOM 913 N ILE 56 0.633 -38.865 -3.086 1.00 55.23 ATOM 914 HN ILE 56 0.640 -38.815 -4.062 1.00 37.46 ATOM 915 CA ILE 56 1.900 -38.762 -2.361 1.00 64.20 ATOM 916 HA ILE 56 1.816 -39.357 -1.461 1.00 53.41 ATOM 917 CB ILE 56 3.073 -39.322 -3.207 1.00 24.35 ATOM 918 HB ILE 56 3.149 -38.730 -4.111 1.00 12.33 ATOM 919 CG1 ILE 56 2.798 -40.787 -3.589 1.00 64.33 ATOM 920 HG11 ILE 56 1.864 -40.846 -4.131 1.00 37.46 ATOM 921 HG12 ILE 56 2.722 -41.378 -2.689 1.00 71.14 ATOM 922 CG2 ILE 56 4.398 -39.200 -2.449 1.00 23.02 ATOM 923 HG21 ILE 56 5.198 -39.601 -3.053 1.00 34.33 ATOM 924 HG22 ILE 56 4.337 -39.751 -1.521 1.00 14.34 ATOM 925 HG23 ILE 56 4.598 -38.160 -2.236 1.00 74.04 ATOM 926 CD1 ILE 56 3.875 -41.407 -4.454 1.00 43.41 ATOM 927 HD11 ILE 56 3.604 -42.426 -4.686 1.00 33.34 ATOM 928 HD12 ILE 56 4.816 -41.397 -3.923 1.00 20.24 ATOM 929 HD13 ILE 56 3.971 -40.843 -5.368 1.00 44.20 ATOM 930 C ILE 56 2.194 -37.300 -1.972 1.00 1.22 ATOM 931 O ILE 56 2.125 -36.403 -2.816 1.00 30.11 ATOM 932 N PRO 57 2.515 -37.040 -0.686 1.00 25.24 ATOM 933 CA PRO 57 2.785 -35.675 -0.190 1.00 4.12 ATOM 934 HA PRO 57 1.901 -35.056 -0.265 1.00 33.51 ATOM 935 CB PRO 57 3.131 -35.890 1.295 1.00 40.21 ATOM 936 HB1 PRO 57 2.272 -35.644 1.904 1.00 37.46 ATOM 937 HB2 PRO 57 3.963 -35.256 1.574 1.00 41.21 ATOM 938 CG PRO 57 3.482 -37.336 1.410 1.00 64.04 ATOM 939 HG1 PRO 57 3.249 -37.694 2.403 1.00 37.46 ATOM 940 HG2 PRO 57 4.533 -37.480 1.196 1.00 33.25 ATOM 941 CD PRO 57 2.637 -38.042 0.388 1.00 70.12 ATOM 942 HD1 PRO 57 1.668 -38.286 0.799 1.00 37.46 ATOM 943 HD2 PRO 57 3.135 -38.933 0.033 1.00 52.40 ATOM 944 C PRO 57 3.948 -34.974 -0.918 1.00 63.13 ATOM 945 O PRO 57 5.024 -35.548 -1.103 1.00 3.20 ATOM 946 N ILE 58 3.720 -33.724 -1.320 1.00 13.35 ATOM 947 HN ILE 58 2.837 -33.331 -1.162 1.00 37.46 ATOM 948 CA ILE 58 4.743 -32.919 -1.995 1.00 74.03 ATOM 949 HA ILE 58 5.567 -33.571 -2.258 1.00 55.02 ATOM 950 CB ILE 58 4.185 -32.287 -3.299 1.00 20.35 ATOM 951 HB ILE 58 3.366 -31.635 -3.029 1.00 50.13 ATOM 952 CG1 ILE 58 3.657 -33.379 -4.245 1.00 13.04 ATOM 953 HG11 ILE 58 3.263 -32.913 -5.137 1.00 37.46 ATOM 954 HG12 ILE 58 2.866 -33.921 -3.752 1.00 24.41 ATOM 955 CG2 ILE 58 5.248 -31.438 -3.998 1.00 61.04 ATOM 956 HG21 ILE 58 6.106 -32.052 -4.233 1.00 21.41 ATOM 957 HG22 ILE 58 5.553 -30.630 -3.348 1.00 12.50 ATOM 958 HG23 ILE 58 4.839 -31.028 -4.911 1.00 54.13 ATOM 959 CD1 ILE 58 4.703 -34.388 -4.675 1.00 44.55 ATOM 960 HD11 ILE 58 5.498 -33.882 -5.203 1.00 2.43 ATOM 961 HD12 ILE 58 4.248 -35.120 -5.325 1.00 31.31 ATOM 962 HD13 ILE 58 5.108 -34.883 -3.804 1.00 44.10 ATOM 963 C ILE 58 5.267 -31.801 -1.076 1.00 24.03 ATOM 964 O ILE 58 4.489 -31.032 -0.508 1.00 73.13 ATOM 965 N MET 59 6.587 -31.718 -0.938 1.00 71.00 ATOM 966 HN MET 59 7.154 -32.354 -1.426 1.00 37.46 ATOM 967 CA MET 59 7.227 -30.700 -0.093 1.00 23.24 ATOM 968 HA MET 59 6.501 -29.923 0.100 1.00 35.30 ATOM 969 CB MET 59 7.663 -31.321 1.244 1.00 11.34 ATOM 970 HB1 MET 59 8.317 -32.159 1.045 1.00 37.46 ATOM 971 HB2 MET 59 6.786 -31.679 1.764 1.00 34.02 ATOM 972 CG MET 59 8.396 -30.350 2.161 1.00 70.33 ATOM 973 HG1 MET 59 9.321 -30.052 1.687 1.00 37.46 ATOM 974 HG2 MET 59 8.619 -30.851 3.092 1.00 70.25 ATOM 975 SD MET 59 7.431 -28.870 2.522 1.00 12.53 ATOM 976 CE MET 59 6.073 -29.566 3.463 1.00 22.42 ATOM 977 HE1 MET 59 5.567 -30.313 2.868 1.00 14.23 ATOM 978 HE2 MET 59 5.378 -28.782 3.724 1.00 51.22 ATOM 979 HE3 MET 59 6.457 -30.022 4.363 1.00 70.42 ATOM 980 C MET 59 8.435 -30.080 -0.810 1.00 12.22 ATOM 981 O MET 59 9.153 -30.770 -1.527 1.00 71.04 ATOM 982 N ALA 60 8.647 -28.774 -0.622 1.00 11.14 ATOM 983 HN ALA 60 8.050 -28.279 -0.021 1.00 37.46 ATOM 984 CA ALA 60 9.761 -28.061 -1.275 1.00 33.22 ATOM 985 HA ALA 60 9.670 -27.014 -1.022 1.00 54.44 ATOM 986 CB ALA 60 11.100 -28.562 -0.729 1.00 61.12 ATOM 987 HB1 ALA 60 11.116 -28.455 0.346 1.00 30.51 ATOM 988 HB2 ALA 60 11.907 -27.983 -1.157 1.00 40.24 ATOM 989 HB3 ALA 60 11.231 -29.604 -0.989 1.00 52.14 ATOM 990 C ALA 60 9.713 -28.202 -2.811 1.00 33.32 ATOM 991 O ALA 60 10.749 -28.185 -3.479 1.00 3.21 ATOM 992 N LYS 61 8.495 -28.326 -3.356 1.00 71.24 ATOM 993 HN LYS 61 7.715 -28.321 -2.763 1.00 37.46 ATOM 994 CA LYS 61 8.274 -28.474 -4.807 1.00 13.31 ATOM 995 HA LYS 61 7.205 -28.443 -4.966 1.00 54.55 ATOM 996 CB LYS 61 8.914 -27.305 -5.583 1.00 4.23 ATOM 997 HB1 LYS 61 8.714 -27.433 -6.639 1.00 37.46 ATOM 998 HB2 LYS 61 9.983 -27.325 -5.426 1.00 21.25 ATOM 999 CG LYS 61 8.393 -25.931 -5.159 1.00 73.01 ATOM 1000 HG1 LYS 61 8.922 -25.171 -5.717 1.00 37.46 ATOM 1001 HG2 LYS 61 8.583 -25.798 -4.105 1.00 60.32 ATOM 1002 CD LYS 61 6.892 -25.774 -5.411 1.00 50.13 ATOM 1003 HD1 LYS 61 6.542 -24.887 -4.903 1.00 37.46 ATOM 1004 HD2 LYS 61 6.378 -26.641 -5.018 1.00 53.34 ATOM 1005 CE LYS 61 6.571 -25.654 -6.895 1.00 40.13 ATOM 1006 HE1 LYS 61 6.898 -26.553 -7.397 1.00 37.46 ATOM 1007 HE2 LYS 61 7.102 -24.804 -7.299 1.00 12.21 ATOM 1008 NZ LYS 61 5.114 -25.471 -7.136 1.00 41.33 ATOM 1009 HZ1 LYS 61 4.923 -25.412 -8.156 1.00 72.02 ATOM 1010 HZ2 LYS 61 4.777 -24.598 -6.684 1.00 1.25 ATOM 1011 HZ3 LYS 61 4.582 -26.276 -6.746 1.00 54.01 ATOM 1012 C LYS 61 8.789 -29.826 -5.337 1.00 23.15 ATOM 1013 O LYS 61 8.922 -30.018 -6.548 1.00 11.45 ATOM 1014 N GLN 62 9.056 -30.763 -4.429 1.00 1.53 ATOM 1015 HN GLN 62 8.967 -30.539 -3.478 1.00 37.46 ATOM 1016 CA GLN 62 9.471 -32.123 -4.797 1.00 42.24 ATOM 1017 HA GLN 62 9.280 -32.259 -5.853 1.00 25.33 ATOM 1018 CB GLN 62 10.971 -32.332 -4.526 1.00 11.21 ATOM 1019 HB1 GLN 62 11.535 -31.609 -5.100 1.00 37.46 ATOM 1020 HB2 GLN 62 11.249 -33.326 -4.847 1.00 33.21 ATOM 1021 CG GLN 62 11.350 -32.177 -3.056 1.00 64.45 ATOM 1022 HG1 GLN 62 10.595 -32.662 -2.453 1.00 37.46 ATOM 1023 HG2 GLN 62 11.375 -31.124 -2.814 1.00 65.22 ATOM 1024 CD GLN 62 12.703 -32.783 -2.719 1.00 34.01 ATOM 1025 OE1 GLN 62 13.737 -32.127 -2.812 1.00 55.30 ATOM 1026 NE2 GLN 62 12.705 -34.038 -2.313 1.00 52.03 ATOM 1027 HE21 GLN 62 11.847 -34.510 -2.250 1.00 73.34 ATOM 1028 HE22 GLN 62 13.565 -34.447 -2.084 1.00 43.53 ATOM 1029 C GLN 62 8.667 -33.168 -4.008 1.00 22.43 ATOM 1030 O GLN 62 7.905 -32.827 -3.103 1.00 72.01 ATOM 1031 N VAL 63 8.842 -34.439 -4.349 1.00 40.14 ATOM 1032 HN VAL 63 9.399 -34.652 -5.127 1.00 37.46 ATOM 1033 CA VAL 63 8.214 -35.530 -3.598 1.00 52.10 ATOM 1034 HA VAL 63 7.154 -35.321 -3.532 1.00 21.23 ATOM 1035 CB VAL 63 8.398 -36.889 -4.326 1.00 70.12 ATOM 1036 HB VAL 63 7.998 -36.786 -5.328 1.00 64.15 ATOM 1037 CG1 VAL 63 9.879 -37.252 -4.448 1.00 25.12 ATOM 1038 HG11 VAL 63 9.978 -38.196 -4.965 1.00 32.00 ATOM 1039 HG12 VAL 63 10.316 -37.335 -3.463 1.00 45.15 ATOM 1040 HG13 VAL 63 10.394 -36.483 -5.005 1.00 53.13 ATOM 1041 CG2 VAL 63 7.619 -37.997 -3.620 1.00 71.13 ATOM 1042 HG21 VAL 63 7.971 -38.098 -2.602 1.00 10.32 ATOM 1043 HG22 VAL 63 7.762 -38.932 -4.144 1.00 44.24 ATOM 1044 HG23 VAL 63 6.567 -37.749 -3.612 1.00 54.40 ATOM 1045 C VAL 63 8.792 -35.627 -2.175 1.00 53.34 ATOM 1046 O VAL 63 9.985 -35.403 -1.960 1.00 33.44 ATOM 1047 N LEU 64 7.939 -35.933 -1.202 1.00 63.24 ATOM 1048 HN LEU 64 6.986 -36.037 -1.415 1.00 37.46 ATOM 1049 CA LEU 64 8.381 -36.110 0.183 1.00 32.54 ATOM 1050 HA LEU 64 9.219 -35.447 0.352 1.00 22.41 ATOM 1051 CB LEU 64 7.246 -35.732 1.146 1.00 40.32 ATOM 1052 HB1 LEU 64 6.419 -36.406 0.972 1.00 37.46 ATOM 1053 HB2 LEU 64 6.922 -34.730 0.902 1.00 14.21 ATOM 1054 CG LEU 64 7.593 -35.777 2.646 1.00 64.11 ATOM 1055 HG LEU 64 7.907 -36.778 2.905 1.00 33.52 ATOM 1056 CD1 LEU 64 8.746 -34.830 2.966 1.00 31.34 ATOM 1057 HD11 LEU 64 8.468 -33.818 2.709 1.00 72.13 ATOM 1058 HD12 LEU 64 9.618 -35.119 2.396 1.00 64.20 ATOM 1059 HD13 LEU 64 8.975 -34.883 4.021 1.00 14.04 ATOM 1060 CD2 LEU 64 6.365 -35.436 3.493 1.00 55.53 ATOM 1061 HD21 LEU 64 5.574 -36.143 3.284 1.00 21.20 ATOM 1062 HD22 LEU 64 6.025 -34.438 3.256 1.00 40.20 ATOM 1063 HD23 LEU 64 6.624 -35.488 4.540 1.00 34.45 ATOM 1064 C LEU 64 8.839 -37.557 0.428 1.00 24.25 ATOM 1065 O LEU 64 8.030 -38.489 0.399 1.00 20.12 ATOM 1066 N ASP 65 10.143 -37.736 0.648 1.00 10.31 ATOM 1067 HN ASP 65 10.740 -36.954 0.630 1.00 37.46 ATOM 1068 CA ASP 65 10.725 -39.063 0.881 1.00 33.53 ATOM 1069 HA ASP 65 10.561 -39.654 -0.010 1.00 33.02 ATOM 1070 CB ASP 65 12.234 -38.938 1.121 1.00 4.25 ATOM 1071 HB1 ASP 65 12.663 -39.928 1.200 1.00 37.46 ATOM 1072 HB2 ASP 65 12.405 -38.406 2.047 1.00 34.01 ATOM 1073 CG ASP 65 12.940 -38.194 0.003 1.00 32.54 ATOM 1074 OD1 ASP 65 13.027 -36.949 0.076 1.00 20.13 ATOM 1075 OD2 ASP 65 13.412 -38.852 -0.941 1.00 21.02 ATOM 1076 C ASP 65 10.067 -39.781 2.078 1.00 33.21 ATOM 1077 O ASP 65 10.505 -39.636 3.220 1.00 22.31 ATOM 1078 N LEU 66 9.014 -40.555 1.807 1.00 13.13 ATOM 1079 HN LEU 66 8.707 -40.624 0.878 1.00 37.46 ATOM 1080 CA LEU 66 8.278 -41.276 2.859 1.00 5.41 ATOM 1081 HA LEU 66 7.816 -40.534 3.496 1.00 23.04 ATOM 1082 CB LEU 66 7.172 -42.144 2.239 1.00 64.04 ATOM 1083 HB1 LEU 66 6.716 -42.729 3.026 1.00 37.46 ATOM 1084 HB2 LEU 66 7.631 -42.823 1.532 1.00 54.21 ATOM 1085 CG LEU 66 6.059 -41.370 1.511 1.00 75.40 ATOM 1086 HG LEU 66 6.492 -40.827 0.681 1.00 35.52 ATOM 1087 CD1 LEU 66 5.014 -42.331 0.946 1.00 32.45 ATOM 1088 HD11 LEU 66 5.490 -43.017 0.259 1.00 21.22 ATOM 1089 HD12 LEU 66 4.254 -41.771 0.422 1.00 74.11 ATOM 1090 HD13 LEU 66 4.559 -42.888 1.753 1.00 71.22 ATOM 1091 CD2 LEU 66 5.407 -40.354 2.450 1.00 31.04 ATOM 1092 HD21 LEU 66 5.006 -40.864 3.315 1.00 61.32 ATOM 1093 HD22 LEU 66 4.607 -39.845 1.932 1.00 24.23 ATOM 1094 HD23 LEU 66 6.144 -39.630 2.768 1.00 32.01 ATOM 1095 C LEU 66 9.202 -42.148 3.728 1.00 74.33 ATOM 1096 O LEU 66 9.151 -42.085 4.958 1.00 43.53 ATOM 1097 N PHE 67 10.048 -42.955 3.089 1.00 35.53 ATOM 1098 HN PHE 67 10.050 -42.964 2.111 1.00 37.46 ATOM 1099 CA PHE 67 10.973 -43.833 3.820 1.00 43.54 ATOM 1100 HA PHE 67 10.382 -44.515 4.415 1.00 53.31 ATOM 1101 CB PHE 67 11.825 -44.645 2.833 1.00 15.30 ATOM 1102 HB1 PHE 67 12.377 -43.963 2.200 1.00 37.46 ATOM 1103 HB2 PHE 67 11.171 -45.243 2.215 1.00 51.12 ATOM 1104 CG PHE 67 12.820 -45.574 3.499 1.00 71.33 ATOM 1105 CD1 PHE 67 12.492 -46.898 3.753 1.00 72.22 ATOM 1106 HD1 PHE 67 11.517 -47.266 3.469 1.00 72.01 ATOM 1107 CD2 PHE 67 14.083 -45.122 3.871 1.00 42.31 ATOM 1108 HD2 PHE 67 14.355 -44.093 3.681 1.00 30.13 ATOM 1109 CE1 PHE 67 13.396 -47.750 4.361 1.00 74.54 ATOM 1110 HE1 PHE 67 13.125 -48.778 4.552 1.00 35.31 ATOM 1111 CE2 PHE 67 14.988 -45.971 4.480 1.00 10.21 ATOM 1112 HE2 PHE 67 15.964 -45.606 4.765 1.00 43.44 ATOM 1113 CZ PHE 67 14.645 -47.286 4.725 1.00 74.24 ATOM 1114 HZ PHE 67 15.352 -47.951 5.201 1.00 64.31 ATOM 1115 C PHE 67 11.893 -43.029 4.754 1.00 72.11 ATOM 1116 O PHE 67 12.008 -43.330 5.942 1.00 53.45 ATOM 1117 N MET 68 12.533 -42.000 4.207 1.00 35.31 ATOM 1118 HN MET 68 12.356 -41.773 3.272 1.00 37.46 ATOM 1119 CA MET 68 13.490 -41.194 4.969 1.00 22.41 ATOM 1120 HA MET 68 14.202 -41.871 5.422 1.00 60.33 ATOM 1121 CB MET 68 14.240 -40.239 4.034 1.00 62.13 ATOM 1122 HB1 MET 68 15.009 -39.730 4.597 1.00 37.46 ATOM 1123 HB2 MET 68 13.542 -39.506 3.654 1.00 72.31 ATOM 1124 CG MET 68 14.896 -40.929 2.845 1.00 21.50 ATOM 1125 HG1 MET 68 15.441 -40.192 2.274 1.00 37.46 ATOM 1126 HG2 MET 68 14.119 -41.356 2.227 1.00 2.20 ATOM 1127 SD MET 68 16.033 -42.245 3.331 1.00 51.22 ATOM 1128 CE MET 68 17.229 -41.333 4.307 1.00 33.31 ATOM 1129 HE1 MET 68 16.731 -40.864 5.143 1.00 43.12 ATOM 1130 HE2 MET 68 17.693 -40.575 3.694 1.00 3.31 ATOM 1131 HE3 MET 68 17.986 -42.010 4.674 1.00 1.22 ATOM 1132 C MET 68 12.785 -40.407 6.084 1.00 32.22 ATOM 1133 O MET 68 13.299 -40.290 7.197 1.00 70.25 ATOM 1134 N LEU 69 11.603 -39.877 5.773 1.00 13.21 ATOM 1135 HN LEU 69 11.274 -39.962 4.855 1.00 37.46 ATOM 1136 CA LEU 69 10.777 -39.170 6.758 1.00 25.42 ATOM 1137 HA LEU 69 11.314 -38.287 7.072 1.00 10.22 ATOM 1138 CB LEU 69 9.442 -38.749 6.117 1.00 2.14 ATOM 1139 HB1 LEU 69 8.886 -39.646 5.879 1.00 37.46 ATOM 1140 HB2 LEU 69 9.660 -38.231 5.193 1.00 71.45 ATOM 1141 CG LEU 69 8.545 -37.843 6.977 1.00 34.05 ATOM 1142 HG LEU 69 8.392 -38.309 7.942 1.00 74.05 ATOM 1143 CD1 LEU 69 9.215 -36.494 7.213 1.00 42.33 ATOM 1144 HD11 LEU 69 10.165 -36.646 7.706 1.00 15.34 ATOM 1145 HD12 LEU 69 8.583 -35.878 7.836 1.00 62.12 ATOM 1146 HD13 LEU 69 9.379 -36.000 6.265 1.00 21.43 ATOM 1147 CD2 LEU 69 7.178 -37.658 6.322 1.00 31.21 ATOM 1148 HD21 LEU 69 6.689 -38.617 6.230 1.00 44.44 ATOM 1149 HD22 LEU 69 7.302 -37.224 5.340 1.00 53.03 ATOM 1150 HD23 LEU 69 6.571 -37.003 6.930 1.00 35.41 ATOM 1151 C LEU 69 10.515 -40.061 7.983 1.00 70.32 ATOM 1152 O LEU 69 10.710 -39.644 9.126 1.00 43.24 ATOM 1153 N TYR 70 10.083 -41.296 7.727 1.00 65.33 ATOM 1154 HN TYR 70 9.904 -41.552 6.795 1.00 37.46 ATOM 1155 CA TYR 70 9.855 -42.283 8.789 1.00 1.03 ATOM 1156 HA TYR 70 9.075 -41.903 9.429 1.00 54.45 ATOM 1157 CB TYR 70 9.391 -43.613 8.176 1.00 63.13 ATOM 1158 HB1 TYR 70 10.164 -43.988 7.519 1.00 37.46 ATOM 1159 HB2 TYR 70 8.495 -43.437 7.598 1.00 1.51 ATOM 1160 CG TYR 70 9.075 -44.693 9.196 1.00 41.31 ATOM 1161 CD1 TYR 70 7.834 -44.742 9.825 1.00 72.51 ATOM 1162 HD1 TYR 70 7.092 -43.993 9.584 1.00 2.41 ATOM 1163 CD2 TYR 70 10.013 -45.668 9.523 1.00 33.25 ATOM 1164 HD2 TYR 70 10.982 -45.645 9.045 1.00 3.41 ATOM 1165 CE1 TYR 70 7.541 -45.727 10.749 1.00 13.20 ATOM 1166 HE1 TYR 70 6.570 -45.748 11.225 1.00 71.22 ATOM 1167 CE2 TYR 70 9.726 -46.654 10.446 1.00 51.44 ATOM 1168 HE2 TYR 70 10.469 -47.401 10.687 1.00 5.42 ATOM 1169 CZ TYR 70 8.490 -46.680 11.056 1.00 4.13 ATOM 1170 OH TYR 70 8.202 -47.667 11.976 1.00 53.31 ATOM 1171 HH TYR 70 7.313 -47.999 11.824 1.00 25.51 ATOM 1172 C TYR 70 11.122 -42.500 9.633 1.00 61.52 ATOM 1173 O TYR 70 11.075 -42.470 10.863 1.00 70.10 ATOM 1174 N VAL 71 12.252 -42.709 8.960 1.00 3.54 ATOM 1175 HN VAL 71 12.223 -42.721 7.978 1.00 37.46 ATOM 1176 CA VAL 71 13.539 -42.923 9.637 1.00 54.51 ATOM 1177 HA VAL 71 13.465 -43.842 10.203 1.00 61.45 ATOM 1178 CB VAL 71 14.691 -43.082 8.608 1.00 21.03 ATOM 1179 HB VAL 71 14.708 -42.199 7.983 1.00 75.03 ATOM 1180 CG1 VAL 71 16.048 -43.195 9.306 1.00 74.21 ATOM 1181 HG11 VAL 71 16.825 -43.326 8.566 1.00 41.14 ATOM 1182 HG12 VAL 71 16.043 -44.044 9.974 1.00 32.45 ATOM 1183 HG13 VAL 71 16.241 -42.294 9.872 1.00 0.53 ATOM 1184 CG2 VAL 71 14.443 -44.293 7.710 1.00 63.43 ATOM 1185 HG21 VAL 71 13.503 -44.173 7.191 1.00 22.11 ATOM 1186 HG22 VAL 71 14.407 -45.190 8.312 1.00 34.21 ATOM 1187 HG23 VAL 71 15.242 -44.378 6.987 1.00 71.33 ATOM 1188 C VAL 71 13.879 -41.775 10.606 1.00 62.11 ATOM 1189 O VAL 71 14.089 -42.006 11.800 1.00 5.12 ATOM 1190 N LEU 72 13.907 -40.546 10.086 1.00 74.13 ATOM 1191 HN LEU 72 13.671 -40.428 9.141 1.00 37.46 ATOM 1192 CA LEU 72 14.280 -39.364 10.882 1.00 72.42 ATOM 1193 HA LEU 72 15.259 -39.555 11.297 1.00 73.34 ATOM 1194 CB LEU 72 14.369 -38.112 9.984 1.00 11.43 ATOM 1195 HB1 LEU 72 14.225 -37.238 10.604 1.00 37.46 ATOM 1196 HB2 LEU 72 13.559 -38.153 9.267 1.00 25.11 ATOM 1197 CG LEU 72 15.691 -37.933 9.206 1.00 65.23 ATOM 1198 HG LEU 72 15.639 -37.010 8.643 1.00 12.11 ATOM 1199 CD1 LEU 72 16.871 -37.815 10.169 1.00 2.23 ATOM 1200 HD11 LEU 72 16.730 -36.955 10.807 1.00 31.43 ATOM 1201 HD12 LEU 72 17.785 -37.699 9.606 1.00 51.02 ATOM 1202 HD13 LEU 72 16.935 -38.707 10.777 1.00 40.42 ATOM 1203 CD2 LEU 72 15.913 -39.073 8.213 1.00 74.41 ATOM 1204 HD21 LEU 72 15.110 -39.081 7.490 1.00 64.33 ATOM 1205 HD22 LEU 72 15.932 -40.017 8.740 1.00 52.34 ATOM 1206 HD23 LEU 72 16.854 -38.928 7.702 1.00 34.23 ATOM 1207 C LEU 72 13.310 -39.105 12.052 1.00 63.32 ATOM 1208 O LEU 72 13.739 -38.770 13.155 1.00 31.11 ATOM 1209 N VAL 73 12.008 -39.249 11.815 1.00 12.14 ATOM 1210 HN VAL 73 11.712 -39.531 10.922 1.00 37.46 ATOM 1211 CA VAL 73 11.003 -38.991 12.860 1.00 31.21 ATOM 1212 HA VAL 73 11.225 -38.023 13.292 1.00 54.11 ATOM 1213 CB VAL 73 9.570 -38.933 12.265 1.00 12.21 ATOM 1214 HB VAL 73 9.372 -39.871 11.762 1.00 51.45 ATOM 1215 CG1 VAL 73 8.519 -38.754 13.364 1.00 11.24 ATOM 1216 HG11 VAL 73 8.704 -37.833 13.898 1.00 12.22 ATOM 1217 HG12 VAL 73 8.568 -39.585 14.053 1.00 11.41 ATOM 1218 HG13 VAL 73 7.533 -38.718 12.919 1.00 61.03 ATOM 1219 CG2 VAL 73 9.466 -37.809 11.233 1.00 2.23 ATOM 1220 HG21 VAL 73 10.197 -37.967 10.453 1.00 53.01 ATOM 1221 HG22 VAL 73 9.651 -36.858 11.711 1.00 41.31 ATOM 1222 HG23 VAL 73 8.475 -37.806 10.799 1.00 14.21 ATOM 1223 C VAL 73 11.052 -40.047 13.983 1.00 32.21 ATOM 1224 O VAL 73 11.106 -39.706 15.171 1.00 43.44 ATOM 1225 N THR 74 11.045 -41.325 13.604 1.00 62.11 ATOM 1226 HN THR 74 11.035 -41.536 12.646 1.00 37.46 ATOM 1227 CA THR 74 11.038 -42.426 14.585 1.00 52.12 ATOM 1228 HA THR 74 10.188 -42.272 15.239 1.00 42.21 ATOM 1229 CB THR 74 10.872 -43.812 13.914 1.00 70.22 ATOM 1230 HB THR 74 10.885 -44.571 14.686 1.00 63.05 ATOM 1231 OG1 THR 74 11.956 -44.063 13.004 1.00 72.12 ATOM 1232 HG1 THR 74 11.816 -43.557 12.195 1.00 71.41 ATOM 1233 CG2 THR 74 9.542 -43.903 13.173 1.00 50.31 ATOM 1234 HG21 THR 74 8.728 -43.768 13.871 1.00 52.10 ATOM 1235 HG22 THR 74 9.455 -44.873 12.704 1.00 43.14 ATOM 1236 HG23 THR 74 9.498 -43.134 12.416 1.00 42.52 ATOM 1237 C THR 74 12.307 -42.457 15.446 1.00 41.33 ATOM 1238 O THR 74 12.234 -42.699 16.651 1.00 3.44 ATOM 1239 N GLU 75 13.470 -42.204 14.837 1.00 1.41 ATOM 1240 HN GLU 75 13.472 -41.989 13.878 1.00 37.46 ATOM 1241 CA GLU 75 14.745 -42.248 15.573 1.00 40.41 ATOM 1242 HA GLU 75 14.813 -43.225 16.034 1.00 14.33 ATOM 1243 CB GLU 75 15.948 -42.069 14.630 1.00 64.43 ATOM 1244 HB1 GLU 75 15.875 -42.798 13.835 1.00 37.46 ATOM 1245 HB2 GLU 75 16.854 -42.255 15.188 1.00 74.11 ATOM 1246 CG GLU 75 16.059 -40.687 13.995 1.00 35.51 ATOM 1247 HG1 GLU 75 16.024 -39.940 14.776 1.00 37.46 ATOM 1248 HG2 GLU 75 15.220 -40.544 13.328 1.00 23.13 ATOM 1249 CD GLU 75 17.348 -40.507 13.204 1.00 72.31 ATOM 1250 OE1 GLU 75 18.364 -40.080 13.802 1.00 34.14 ATOM 1251 OE2 GLU 75 17.363 -40.805 11.993 1.00 14.34 ATOM 1252 C GLU 75 14.796 -41.189 16.689 1.00 62.22 ATOM 1253 O GLU 75 15.544 -41.330 17.658 1.00 2.11 ATOM 1254 N LYS 76 14.004 -40.125 16.542 1.00 43.33 ATOM 1255 HN LYS 76 13.472 -40.038 15.722 1.00 37.46 ATOM 1256 CA LYS 76 13.915 -39.077 17.569 1.00 54.12 ATOM 1257 HA LYS 76 14.918 -38.872 17.920 1.00 34.43 ATOM 1258 CB LYS 76 13.322 -37.789 16.975 1.00 14.24 ATOM 1259 HB1 LYS 76 13.297 -37.028 17.743 1.00 37.46 ATOM 1260 HB2 LYS 76 12.310 -37.989 16.650 1.00 52.44 ATOM 1261 CG LYS 76 14.102 -37.237 15.786 1.00 74.12 ATOM 1262 HG1 LYS 76 13.593 -36.358 15.414 1.00 37.46 ATOM 1263 HG2 LYS 76 14.132 -37.988 15.010 1.00 71.13 ATOM 1264 CD LYS 76 15.536 -36.860 16.159 1.00 53.23 ATOM 1265 HD1 LYS 76 16.043 -37.737 16.536 1.00 37.46 ATOM 1266 HD2 LYS 76 15.510 -36.099 16.927 1.00 64.43 ATOM 1267 CE LYS 76 16.305 -36.321 14.956 1.00 3.05 ATOM 1268 HE1 LYS 76 15.777 -35.464 14.561 1.00 37.46 ATOM 1269 HE2 LYS 76 16.354 -37.091 14.201 1.00 50.35 ATOM 1270 NZ LYS 76 17.690 -35.912 15.310 1.00 12.04 ATOM 1271 HZ1 LYS 76 18.219 -36.724 15.685 1.00 2.11 ATOM 1272 HZ2 LYS 76 17.671 -35.164 16.027 1.00 44.32 ATOM 1273 HZ3 LYS 76 18.181 -35.555 14.468 1.00 3.11 ATOM 1274 C LYS 76 13.060 -39.537 18.762 1.00 23.21 ATOM 1275 O LYS 76 13.157 -38.985 19.859 1.00 45.41 ATOM 1276 N GLY 77 12.227 -40.554 18.538 1.00 70.40 ATOM 1277 HN GLY 77 12.223 -40.980 17.655 1.00 37.46 ATOM 1278 CA GLY 77 11.345 -41.058 19.588 1.00 31.44 ATOM 1279 HA1 GLY 77 11.259 -40.310 20.364 1.00 37.46 ATOM 1280 HA2 GLY 77 11.784 -41.948 20.012 1.00 41.44 ATOM 1281 C GLY 77 9.946 -41.399 19.081 1.00 63.40 ATOM 1282 O GLY 77 9.256 -42.239 19.661 1.00 33.32 ATOM 1283 N GLY 78 9.527 -40.746 17.999 1.00 61.34 ATOM 1284 HN GLY 78 10.130 -40.109 17.565 1.00 37.46 ATOM 1285 CA GLY 78 8.188 -40.956 17.450 1.00 42.45 ATOM 1286 HA1 GLY 78 7.599 -41.529 18.156 1.00 37.46 ATOM 1287 HA2 GLY 78 8.274 -41.517 16.533 1.00 44.22 ATOM 1288 C GLY 78 7.465 -39.645 17.157 1.00 12.42 ATOM 1289 O GLY 78 7.945 -38.572 17.530 1.00 31.40 ATOM 1290 N LEU 79 6.305 -39.725 16.498 1.00 31.13 ATOM 1291 HN LEU 79 5.960 -40.615 16.243 1.00 37.46 ATOM 1292 CA LEU 79 5.540 -38.526 16.118 1.00 51.43 ATOM 1293 HA LEU 79 6.123 -37.998 15.376 1.00 62.21 ATOM 1294 CB LEU 79 4.198 -38.923 15.485 1.00 42.13 ATOM 1295 HB1 LEU 79 3.644 -39.511 16.205 1.00 37.46 ATOM 1296 HB2 LEU 79 4.401 -39.545 14.623 1.00 14.10 ATOM 1297 CG LEU 79 3.307 -37.748 15.034 1.00 34.35 ATOM 1298 HG LEU 79 3.028 -37.166 15.903 1.00 1.13 ATOM 1299 CD1 LEU 79 4.061 -36.822 14.079 1.00 11.13 ATOM 1300 HD11 LEU 79 4.923 -36.408 14.583 1.00 61.51 ATOM 1301 HD12 LEU 79 3.412 -36.018 13.764 1.00 60.12 ATOM 1302 HD13 LEU 79 4.386 -37.380 13.213 1.00 13.44 ATOM 1303 CD2 LEU 79 2.026 -38.266 14.385 1.00 42.23 ATOM 1304 HD21 LEU 79 2.273 -38.855 13.512 1.00 3.43 ATOM 1305 HD22 LEU 79 1.405 -37.433 14.092 1.00 11.21 ATOM 1306 HD23 LEU 79 1.488 -38.881 15.092 1.00 15.13 ATOM 1307 C LEU 79 5.304 -37.576 17.309 1.00 12.11 ATOM 1308 O LEU 79 5.626 -36.388 17.234 1.00 72.32 ATOM 1309 N VAL 80 4.760 -38.101 18.408 1.00 75.10 ATOM 1310 HN VAL 80 4.562 -39.063 18.430 1.00 37.46 ATOM 1311 CA VAL 80 4.466 -37.275 19.590 1.00 24.35 ATOM 1312 HA VAL 80 3.768 -36.506 19.284 1.00 12.53 ATOM 1313 CB VAL 80 3.797 -38.111 20.712 1.00 14.03 ATOM 1314 HB VAL 80 4.425 -38.969 20.918 1.00 45.35 ATOM 1315 CG1 VAL 80 3.656 -37.305 22.002 1.00 2.02 ATOM 1316 HG11 VAL 80 3.179 -37.914 22.756 1.00 24.23 ATOM 1317 HG12 VAL 80 3.056 -36.425 21.817 1.00 4.55 ATOM 1318 HG13 VAL 80 4.634 -37.006 22.349 1.00 24.23 ATOM 1319 CG2 VAL 80 2.434 -38.619 20.253 1.00 4.32 ATOM 1320 HG21 VAL 80 1.968 -39.180 21.052 1.00 52.14 ATOM 1321 HG22 VAL 80 2.557 -39.259 19.392 1.00 64.35 ATOM 1322 HG23 VAL 80 1.805 -37.781 19.988 1.00 1.13 ATOM 1323 C VAL 80 5.732 -36.593 20.139 1.00 74.02 ATOM 1324 O VAL 80 5.710 -35.413 20.495 1.00 34.14 ATOM 1325 N GLU 81 6.832 -37.335 20.188 1.00 61.31 ATOM 1326 HN GLU 81 6.790 -38.269 19.895 1.00 37.46 ATOM 1327 CA GLU 81 8.108 -36.791 20.663 1.00 54.11 ATOM 1328 HA GLU 81 7.965 -36.453 21.680 1.00 42.05 ATOM 1329 CB GLU 81 9.189 -37.880 20.646 1.00 34.31 ATOM 1330 HB1 GLU 81 9.293 -38.249 19.633 1.00 37.46 ATOM 1331 HB2 GLU 81 8.871 -38.694 21.281 1.00 11.10 ATOM 1332 CG GLU 81 10.561 -37.404 21.124 1.00 24.40 ATOM 1333 HG1 GLU 81 10.823 -36.506 20.581 1.00 37.46 ATOM 1334 HG2 GLU 81 11.288 -38.174 20.904 1.00 24.12 ATOM 1335 CD GLU 81 10.610 -37.100 22.618 1.00 75.42 ATOM 1336 OE1 GLU 81 10.019 -36.088 23.051 1.00 74.51 ATOM 1337 OE2 GLU 81 11.248 -37.873 23.362 1.00 51.21 ATOM 1338 C GLU 81 8.557 -35.600 19.803 1.00 43.20 ATOM 1339 O GLU 81 8.875 -34.529 20.319 1.00 71.34 ATOM 1340 N VAL 82 8.561 -35.793 18.486 1.00 33.44 ATOM 1341 HN VAL 82 8.275 -36.663 18.133 1.00 37.46 ATOM 1342 CA VAL 82 8.978 -34.744 17.549 1.00 22.42 ATOM 1343 HA VAL 82 9.995 -34.471 17.798 1.00 52.13 ATOM 1344 CB VAL 82 8.964 -35.265 16.087 1.00 72.21 ATOM 1345 HB VAL 82 7.953 -35.556 15.840 1.00 2.31 ATOM 1346 CG1 VAL 82 9.398 -34.177 15.108 1.00 20.31 ATOM 1347 HG11 VAL 82 9.346 -34.557 14.098 1.00 34.24 ATOM 1348 HG12 VAL 82 10.412 -33.877 15.326 1.00 23.41 ATOM 1349 HG13 VAL 82 8.743 -33.322 15.204 1.00 3.21 ATOM 1350 CG2 VAL 82 9.859 -36.498 15.948 1.00 1.21 ATOM 1351 HG21 VAL 82 9.848 -36.839 14.923 1.00 44.13 ATOM 1352 HG22 VAL 82 9.494 -37.286 16.591 1.00 31.34 ATOM 1353 HG23 VAL 82 10.872 -36.245 16.231 1.00 44.33 ATOM 1354 C VAL 82 8.090 -33.489 17.672 1.00 23.43 ATOM 1355 O VAL 82 8.579 -32.357 17.587 1.00 34.45 ATOM 1356 N ILE 83 6.792 -33.696 17.893 1.00 72.32 ATOM 1357 HN ILE 83 6.455 -34.618 17.909 1.00 37.46 ATOM 1358 CA ILE 83 5.852 -32.587 18.111 1.00 53.32 ATOM 1359 HA ILE 83 5.948 -31.902 17.279 1.00 64.02 ATOM 1360 CB ILE 83 4.387 -33.092 18.160 1.00 74.41 ATOM 1361 HB ILE 83 4.311 -33.819 18.957 1.00 62.40 ATOM 1362 CG1 ILE 83 4.002 -33.764 16.832 1.00 44.31 ATOM 1363 HG11 ILE 83 4.699 -34.562 16.623 1.00 37.46 ATOM 1364 HG12 ILE 83 4.051 -33.035 16.036 1.00 75.41 ATOM 1365 CG2 ILE 83 3.426 -31.946 18.477 1.00 0.10 ATOM 1366 HG21 ILE 83 2.413 -32.321 18.506 1.00 34.33 ATOM 1367 HG22 ILE 83 3.507 -31.186 17.714 1.00 53.31 ATOM 1368 HG23 ILE 83 3.677 -31.520 19.437 1.00 43.11 ATOM 1369 CD1 ILE 83 2.607 -34.356 16.829 1.00 0.31 ATOM 1370 HD11 ILE 83 2.536 -35.123 17.587 1.00 13.44 ATOM 1371 HD12 ILE 83 2.401 -34.787 15.861 1.00 60.12 ATOM 1372 HD13 ILE 83 1.884 -33.579 17.036 1.00 51.04 ATOM 1373 C ILE 83 6.170 -31.832 19.413 1.00 30.24 ATOM 1374 O ILE 83 6.153 -30.602 19.450 1.00 3.24 ATOM 1375 N ASN 84 6.461 -32.577 20.479 1.00 42.33 ATOM 1376 HN ASN 84 6.441 -33.555 20.395 1.00 37.46 ATOM 1377 CA ASN 84 6.805 -31.977 21.775 1.00 23.23 ATOM 1378 HA ASN 84 6.037 -31.255 22.014 1.00 21.14 ATOM 1379 CB ASN 84 6.827 -33.051 22.869 1.00 60.03 ATOM 1380 HB1 ASN 84 7.220 -32.621 23.780 1.00 37.46 ATOM 1381 HB2 ASN 84 7.467 -33.863 22.556 1.00 54.12 ATOM 1382 CG ASN 84 5.447 -33.611 23.164 1.00 11.12 ATOM 1383 OD1 ASN 84 4.445 -32.913 23.056 1.00 14.53 ATOM 1384 ND2 ASN 84 5.378 -34.872 23.539 1.00 22.21 ATOM 1385 HD21 ASN 84 6.211 -35.383 23.607 1.00 45.41 ATOM 1386 HD22 ASN 84 4.496 -35.243 23.731 1.00 64.55 ATOM 1387 C ASN 84 8.161 -31.249 21.723 1.00 4.34 ATOM 1388 O ASN 84 8.333 -30.191 22.327 1.00 51.31 ATOM 1389 N LYS 85 9.118 -31.821 21.001 1.00 53.02 ATOM 1390 HN LYS 85 8.933 -32.678 20.562 1.00 37.46 ATOM 1391 CA LYS 85 10.449 -31.222 20.857 1.00 2.35 ATOM 1392 HA LYS 85 10.724 -30.803 21.813 1.00 53.22 ATOM 1393 CB LYS 85 11.475 -32.303 20.476 1.00 73.12 ATOM 1394 HB1 LYS 85 12.416 -31.823 20.244 1.00 37.46 ATOM 1395 HB2 LYS 85 11.118 -32.810 19.593 1.00 22.21 ATOM 1396 CG LYS 85 11.732 -33.368 21.552 1.00 44.54 ATOM 1397 HG1 LYS 85 12.063 -34.276 21.066 1.00 37.46 ATOM 1398 HG2 LYS 85 10.806 -33.566 22.072 1.00 63.11 ATOM 1399 CD LYS 85 12.790 -32.947 22.580 1.00 65.34 ATOM 1400 HD1 LYS 85 13.691 -32.659 22.053 1.00 37.46 ATOM 1401 HD2 LYS 85 13.007 -33.790 23.219 1.00 31.51 ATOM 1402 CE LYS 85 12.337 -31.781 23.453 1.00 41.42 ATOM 1403 HE1 LYS 85 11.406 -32.043 23.928 1.00 37.46 ATOM 1404 HE2 LYS 85 12.186 -30.916 22.823 1.00 41.51 ATOM 1405 NZ LYS 85 13.340 -31.436 24.497 1.00 44.20 ATOM 1406 HZ1 LYS 85 12.967 -30.694 25.121 1.00 4.02 ATOM 1407 HZ2 LYS 85 14.214 -31.090 24.050 1.00 74.33 ATOM 1408 HZ3 LYS 85 13.565 -32.276 25.069 1.00 20.55 ATOM 1409 C LYS 85 10.466 -30.092 19.813 1.00 25.42 ATOM 1410 O LYS 85 11.413 -29.305 19.762 1.00 10.25 ATOM 1411 N LYS 86 9.426 -30.031 18.973 1.00 40.41 ATOM 1412 HN LYS 86 8.728 -30.718 19.038 1.00 37.46 ATOM 1413 CA LYS 86 9.286 -28.971 17.952 1.00 3.34 ATOM 1414 HA LYS 86 8.384 -29.172 17.392 1.00 53.55 ATOM 1415 CB LYS 86 9.158 -27.588 18.629 1.00 44.32 ATOM 1416 HB1 LYS 86 8.876 -26.861 17.879 1.00 37.46 ATOM 1417 HB2 LYS 86 10.122 -27.311 19.033 1.00 72.13 ATOM 1418 CG LYS 86 8.131 -27.524 19.767 1.00 42.24 ATOM 1419 HG1 LYS 86 8.254 -26.585 20.290 1.00 37.46 ATOM 1420 HG2 LYS 86 8.326 -28.337 20.452 1.00 2.33 ATOM 1421 CD LYS 86 6.684 -27.634 19.281 1.00 4.44 ATOM 1422 HD1 LYS 86 6.057 -27.910 20.120 1.00 37.46 ATOM 1423 HD2 LYS 86 6.627 -28.407 18.529 1.00 61.40 ATOM 1424 CE LYS 86 6.157 -26.328 18.681 1.00 54.30 ATOM 1425 HE1 LYS 86 6.338 -25.526 19.381 1.00 37.46 ATOM 1426 HE2 LYS 86 5.092 -26.427 18.522 1.00 72.03 ATOM 1427 NZ LYS 86 6.799 -25.988 17.383 1.00 42.25 ATOM 1428 HZ1 LYS 86 7.816 -25.834 17.515 1.00 64.21 ATOM 1429 HZ2 LYS 86 6.375 -25.122 16.993 1.00 51.20 ATOM 1430 HZ3 LYS 86 6.659 -26.764 16.702 1.00 71.31 ATOM 1431 C LYS 86 10.482 -28.954 16.972 1.00 24.50 ATOM 1432 O LYS 86 10.656 -28.004 16.207 1.00 74.10 ATOM 1433 N LEU 87 11.277 -30.027 16.970 1.00 24.11 ATOM 1434 HN LEU 87 10.987 -30.830 17.450 1.00 37.46 ATOM 1435 CA LEU 87 12.576 -30.038 16.272 1.00 53.22 ATOM 1436 HA LEU 87 12.955 -29.025 16.286 1.00 74.11 ATOM 1437 CB LEU 87 13.573 -30.937 17.042 1.00 44.15 ATOM 1438 HB1 LEU 87 13.381 -30.811 18.099 1.00 37.46 ATOM 1439 HB2 LEU 87 14.571 -30.578 16.843 1.00 72.14 ATOM 1440 CG LEU 87 13.540 -32.450 16.733 1.00 30.20 ATOM 1441 HG LEU 87 13.811 -32.601 15.696 1.00 21.34 ATOM 1442 CD1 LEU 87 14.561 -33.195 17.589 1.00 42.45 ATOM 1443 HD11 LEU 87 14.510 -34.253 17.375 1.00 51.35 ATOM 1444 HD12 LEU 87 14.347 -33.029 18.636 1.00 52.04 ATOM 1445 HD13 LEU 87 15.554 -32.832 17.364 1.00 31.01 ATOM 1446 CD2 LEU 87 12.147 -33.030 16.940 1.00 44.32 ATOM 1447 HD21 LEU 87 11.851 -32.900 17.966 1.00 74.14 ATOM 1448 HD22 LEU 87 12.154 -34.083 16.697 1.00 20.34 ATOM 1449 HD23 LEU 87 11.445 -32.520 16.295 1.00 45.12 ATOM 1450 C LEU 87 12.461 -30.484 14.795 1.00 43.01 ATOM 1451 O LEU 87 13.435 -30.949 14.201 1.00 52.04 ATOM 1452 N TRP 88 11.285 -30.291 14.193 1.00 32.40 ATOM 1453 HN TRP 88 10.564 -29.862 14.696 1.00 37.46 ATOM 1454 CA TRP 88 11.033 -30.709 12.798 1.00 22.21 ATOM 1455 HA TRP 88 11.055 -31.790 12.780 1.00 75.42 ATOM 1456 CB TRP 88 9.641 -30.247 12.343 1.00 22.30 ATOM 1457 HB1 TRP 88 9.573 -30.338 11.267 1.00 37.46 ATOM 1458 HB2 TRP 88 9.508 -29.210 12.615 1.00 11.11 ATOM 1459 CG TRP 88 8.505 -31.029 12.943 1.00 54.45 ATOM 1460 CD1 TRP 88 7.746 -30.689 14.029 1.00 44.22 ATOM 1461 HD1 TRP 88 7.881 -29.786 14.609 1.00 22.12 ATOM 1462 CD2 TRP 88 7.995 -32.285 12.477 1.00 12.13 ATOM 1463 NE1 TRP 88 6.796 -31.655 14.261 1.00 2.41 ATOM 1464 HE1 TRP 88 6.133 -31.639 14.980 1.00 24.34 ATOM 1465 CE2 TRP 88 6.929 -32.644 13.323 1.00 72.43 ATOM 1466 CE3 TRP 88 8.335 -33.139 11.422 1.00 52.12 ATOM 1467 HE3 TRP 88 9.148 -32.901 10.749 1.00 45.54 ATOM 1468 CZ2 TRP 88 6.205 -33.822 13.151 1.00 62.23 ATOM 1469 HZ2 TRP 88 5.391 -34.092 13.804 1.00 41.22 ATOM 1470 CZ3 TRP 88 7.617 -34.308 11.251 1.00 11.23 ATOM 1471 HZ3 TRP 88 7.868 -34.982 10.442 1.00 42.31 ATOM 1472 CH2 TRP 88 6.560 -34.639 12.110 1.00 3.00 ATOM 1473 HH2 TRP 88 6.026 -35.563 11.940 1.00 62.32 ATOM 1474 C TRP 88 12.096 -30.190 11.803 1.00 73.12 ATOM 1475 O TRP 88 12.271 -30.764 10.726 1.00 50.21 ATOM 1476 N ARG 89 12.806 -29.115 12.161 1.00 5.24 ATOM 1477 HN ARG 89 12.621 -28.688 13.021 1.00 37.46 ATOM 1478 CA ARG 89 13.860 -28.563 11.290 1.00 71.22 ATOM 1479 HA ARG 89 13.403 -28.300 10.346 1.00 20.42 ATOM 1480 CB ARG 89 14.482 -27.302 11.910 1.00 42.21 ATOM 1481 HB1 ARG 89 15.134 -26.843 11.180 1.00 37.46 ATOM 1482 HB2 ARG 89 15.072 -27.594 12.768 1.00 41.33 ATOM 1483 CG ARG 89 13.467 -26.258 12.370 1.00 32.24 ATOM 1484 HG1 ARG 89 12.953 -26.633 13.243 1.00 37.46 ATOM 1485 HG2 ARG 89 12.752 -26.089 11.577 1.00 2.43 ATOM 1486 CD ARG 89 14.139 -24.928 12.721 1.00 13.42 ATOM 1487 HD1 ARG 89 13.441 -24.325 13.285 1.00 37.46 ATOM 1488 HD2 ARG 89 14.394 -24.416 11.805 1.00 43.14 ATOM 1489 NE ARG 89 15.357 -25.114 13.513 1.00 55.03 ATOM 1490 HE ARG 89 15.854 -25.945 13.387 1.00 63.53 ATOM 1491 CZ ARG 89 15.854 -24.230 14.333 1.00 22.11 ATOM 1492 NH1 ARG 89 15.228 -23.126 14.583 1.00 5.03 ATOM 1493 HH11 ARG 89 14.353 -22.935 14.151 1.00 62.02 ATOM 1494 HH12 ARG 89 15.629 -22.463 15.212 1.00 31.01 ATOM 1495 NH2 ARG 89 16.985 -24.463 14.913 1.00 52.14 ATOM 1496 HH21 ARG 89 17.473 -25.317 14.732 1.00 43.35 ATOM 1497 HH22 ARG 89 17.374 -23.786 15.535 1.00 2.42 ATOM 1498 C ARG 89 14.966 -29.604 11.029 1.00 23.41 ATOM 1499 O ARG 89 15.625 -29.587 9.984 1.00 41.30 ATOM 1500 N GLU 90 15.173 -30.496 11.997 1.00 14.13 ATOM 1501 HN GLU 90 14.679 -30.405 12.840 1.00 37.46 ATOM 1502 CA GLU 90 16.117 -31.607 11.844 1.00 54.43 ATOM 1503 HA GLU 90 17.075 -31.198 11.549 1.00 31.41 ATOM 1504 CB GLU 90 16.274 -32.359 13.176 1.00 71.05 ATOM 1505 HB1 GLU 90 16.927 -33.207 13.022 1.00 37.46 ATOM 1506 HB2 GLU 90 15.303 -32.720 13.486 1.00 1.34 ATOM 1507 CG GLU 90 16.849 -31.514 14.305 1.00 51.01 ATOM 1508 HG1 GLU 90 16.851 -32.101 15.214 1.00 37.46 ATOM 1509 HG2 GLU 90 16.219 -30.646 14.443 1.00 52.13 ATOM 1510 CD GLU 90 18.268 -31.051 14.022 1.00 72.21 ATOM 1511 OE1 GLU 90 18.489 -29.830 13.866 1.00 40.54 ATOM 1512 OE2 GLU 90 19.170 -31.911 13.941 1.00 43.13 ATOM 1513 C GLU 90 15.633 -32.582 10.765 1.00 11.02 ATOM 1514 O GLU 90 16.426 -33.134 9.999 1.00 22.24 ATOM 1515 N ILE 91 14.317 -32.777 10.714 1.00 13.00 ATOM 1516 HN ILE 91 13.739 -32.268 11.320 1.00 37.46 ATOM 1517 CA ILE 91 13.704 -33.713 9.773 1.00 41.22 ATOM 1518 HA ILE 91 14.216 -34.663 9.867 1.00 34.53 ATOM 1519 CB ILE 91 12.204 -33.934 10.099 1.00 65.53 ATOM 1520 HB ILE 91 11.672 -33.021 9.864 1.00 41.22 ATOM 1521 CG1 ILE 91 12.012 -34.253 11.595 1.00 12.23 ATOM 1522 HG11 ILE 91 10.960 -34.404 11.792 1.00 37.46 ATOM 1523 HG12 ILE 91 12.362 -33.416 12.181 1.00 2.50 ATOM 1524 CG2 ILE 91 11.627 -35.049 9.231 1.00 74.11 ATOM 1525 HG21 ILE 91 12.164 -35.968 9.417 1.00 24.45 ATOM 1526 HG22 ILE 91 11.725 -34.781 8.188 1.00 43.12 ATOM 1527 HG23 ILE 91 10.581 -35.190 9.468 1.00 62.53 ATOM 1528 CD1 ILE 91 12.755 -35.487 12.072 1.00 70.14 ATOM 1529 HD11 ILE 91 12.397 -36.354 11.535 1.00 34.34 ATOM 1530 HD12 ILE 91 12.584 -35.624 13.130 1.00 13.32 ATOM 1531 HD13 ILE 91 13.813 -35.364 11.893 1.00 14.41 ATOM 1532 C ILE 91 13.845 -33.213 8.326 1.00 22.23 ATOM 1533 O ILE 91 14.312 -33.945 7.452 1.00 15.11 ATOM 1534 N THR 92 13.458 -31.955 8.086 1.00 5.33 ATOM 1535 HN THR 92 13.098 -31.418 8.825 1.00 37.46 ATOM 1536 CA THR 92 13.570 -31.350 6.747 1.00 41.44 ATOM 1537 HA THR 92 12.928 -31.906 6.076 1.00 75.24 ATOM 1538 CB THR 92 13.121 -29.867 6.732 1.00 44.53 ATOM 1539 HB THR 92 13.355 -29.446 5.762 1.00 70.23 ATOM 1540 OG1 THR 92 13.832 -29.130 7.736 1.00 14.31 ATOM 1541 HG1 THR 92 14.368 -28.451 7.314 1.00 71.22 ATOM 1542 CG2 THR 92 11.620 -29.733 6.962 1.00 32.02 ATOM 1543 HG21 THR 92 11.358 -30.178 7.910 1.00 34.30 ATOM 1544 HG22 THR 92 11.083 -30.235 6.167 1.00 15.33 ATOM 1545 HG23 THR 92 11.350 -28.687 6.970 1.00 5.40 ATOM 1546 C THR 92 15.007 -31.415 6.225 1.00 55.44 ATOM 1547 O THR 92 15.257 -31.922 5.131 1.00 64.13 ATOM 1548 N LYS 93 15.955 -30.915 7.018 1.00 22.25 ATOM 1549 HN LYS 93 15.702 -30.545 7.895 1.00 37.46 ATOM 1550 CA LYS 93 17.364 -30.894 6.608 1.00 32.10 ATOM 1551 HA LYS 93 17.428 -30.324 5.691 1.00 14.10 ATOM 1552 CB LYS 93 18.226 -30.209 7.680 1.00 33.55 ATOM 1553 HB1 LYS 93 18.392 -30.901 8.494 1.00 37.46 ATOM 1554 HB2 LYS 93 17.692 -29.347 8.059 1.00 13.51 ATOM 1555 CG LYS 93 19.587 -29.740 7.161 1.00 23.54 ATOM 1556 HG1 LYS 93 20.095 -30.576 6.700 1.00 37.46 ATOM 1557 HG2 LYS 93 20.174 -29.375 7.992 1.00 52.21 ATOM 1558 CD LYS 93 19.434 -28.620 6.128 1.00 3.04 ATOM 1559 HD1 LYS 93 18.955 -27.775 6.603 1.00 37.46 ATOM 1560 HD2 LYS 93 18.813 -28.973 5.318 1.00 40.11 ATOM 1561 CE LYS 93 20.775 -28.166 5.557 1.00 51.41 ATOM 1562 HE1 LYS 93 20.607 -27.319 4.904 1.00 37.46 ATOM 1563 HE2 LYS 93 21.205 -28.977 4.986 1.00 65.35 ATOM 1564 NZ LYS 93 21.733 -27.767 6.625 1.00 53.33 ATOM 1565 HZ1 LYS 93 22.537 -27.253 6.211 1.00 23.42 ATOM 1566 HZ2 LYS 93 22.096 -28.613 7.114 1.00 50.33 ATOM 1567 HZ3 LYS 93 21.261 -27.155 7.321 1.00 21.01 ATOM 1568 C LYS 93 17.883 -32.316 6.334 1.00 21.15 ATOM 1569 O LYS 93 18.710 -32.527 5.443 1.00 21.32 ATOM 1570 N GLY 94 17.381 -33.287 7.097 1.00 35.31 ATOM 1571 HN GLY 94 16.762 -33.054 7.824 1.00 37.46 ATOM 1572 CA GLY 94 17.739 -34.684 6.876 1.00 0.22 ATOM 1573 HA1 GLY 94 17.317 -35.278 7.672 1.00 37.46 ATOM 1574 HA2 GLY 94 18.816 -34.776 6.906 1.00 44.01 ATOM 1575 C GLY 94 17.236 -35.226 5.537 1.00 1.14 ATOM 1576 O GLY 94 17.778 -36.198 5.007 1.00 51.51 ATOM 1577 N LEU 95 16.192 -34.596 4.996 1.00 51.44 ATOM 1578 HN LEU 95 15.771 -33.862 5.494 1.00 37.46 ATOM 1579 CA LEU 95 15.639 -34.969 3.688 1.00 64.53 ATOM 1580 HA LEU 95 15.934 -35.986 3.469 1.00 50.21 ATOM 1581 CB LEU 95 14.105 -34.887 3.726 1.00 33.32 ATOM 1582 HB1 LEU 95 13.720 -35.321 2.813 1.00 37.46 ATOM 1583 HB2 LEU 95 13.823 -33.843 3.752 1.00 24.41 ATOM 1584 CG LEU 95 13.431 -35.593 4.913 1.00 75.33 ATOM 1585 HG LEU 95 13.750 -35.116 5.829 1.00 62.14 ATOM 1586 CD1 LEU 95 11.914 -35.460 4.830 1.00 75.40 ATOM 1587 HD11 LEU 95 11.462 -35.944 5.684 1.00 31.01 ATOM 1588 HD12 LEU 95 11.558 -35.926 3.922 1.00 64.04 ATOM 1589 HD13 LEU 95 11.644 -34.414 4.826 1.00 15.50 ATOM 1590 CD2 LEU 95 13.842 -37.059 4.983 1.00 11.44 ATOM 1591 HD21 LEU 95 13.332 -37.538 5.808 1.00 1.32 ATOM 1592 HD22 LEU 95 14.910 -37.129 5.134 1.00 31.04 ATOM 1593 HD23 LEU 95 13.576 -37.556 4.061 1.00 24.33 ATOM 1594 C LEU 95 16.174 -34.040 2.582 1.00 0.32 ATOM 1595 O LEU 95 15.678 -34.051 1.456 1.00 72.31 ATOM 1596 N ASN 96 17.186 -33.234 2.930 1.00 2.43 ATOM 1597 HN ASN 96 17.551 -33.313 3.837 1.00 37.46 ATOM 1598 CA ASN 96 17.781 -32.239 2.017 1.00 3.24 ATOM 1599 HA ASN 96 18.640 -31.823 2.523 1.00 44.42 ATOM 1600 CB ASN 96 18.254 -32.901 0.708 1.00 41.33 ATOM 1601 HB1 ASN 96 17.390 -33.184 0.123 1.00 37.46 ATOM 1602 HB2 ASN 96 18.823 -33.788 0.948 1.00 21.34 ATOM 1603 CG ASN 96 19.132 -31.987 -0.139 1.00 13.25 ATOM 1604 OD1 ASN 96 19.091 -32.024 -1.368 1.00 1.13 ATOM 1605 ND2 ASN 96 19.948 -31.170 0.504 1.00 21.41 ATOM 1606 HD21 ASN 96 19.952 -31.187 1.483 1.00 61.33 ATOM 1607 HD22 ASN 96 20.518 -30.580 -0.029 1.00 32.31 ATOM 1608 C ASN 96 16.797 -31.085 1.720 1.00 71.45 ATOM 1609 O ASN 96 16.984 -30.313 0.776 1.00 3.53 ATOM 1610 N LEU 97 15.767 -30.952 2.554 1.00 2.25 ATOM 1611 HN LEU 97 15.683 -31.577 3.303 1.00 37.46 ATOM 1612 CA LEU 97 14.761 -29.896 2.389 1.00 21.14 ATOM 1613 HA LEU 97 14.671 -29.685 1.333 1.00 21.41 ATOM 1614 CB LEU 97 13.396 -30.372 2.917 1.00 2.22 ATOM 1615 HB1 LEU 97 12.662 -29.612 2.691 1.00 37.46 ATOM 1616 HB2 LEU 97 13.463 -30.471 3.993 1.00 24.10 ATOM 1617 CG LEU 97 12.896 -31.707 2.343 1.00 71.45 ATOM 1618 HG LEU 97 13.584 -32.488 2.633 1.00 1.11 ATOM 1619 CD1 LEU 97 11.527 -32.064 2.915 1.00 4.44 ATOM 1620 HD11 LEU 97 11.603 -32.175 3.987 1.00 54.21 ATOM 1621 HD12 LEU 97 11.185 -32.993 2.482 1.00 24.11 ATOM 1622 HD13 LEU 97 10.823 -31.279 2.684 1.00 20.33 ATOM 1623 CD2 LEU 97 12.855 -31.666 0.818 1.00 23.32 ATOM 1624 HD21 LEU 97 12.522 -32.622 0.441 1.00 3.12 ATOM 1625 HD22 LEU 97 13.844 -31.458 0.439 1.00 72.44 ATOM 1626 HD23 LEU 97 12.174 -30.893 0.493 1.00 15.02 ATOM 1627 C LEU 97 15.183 -28.608 3.118 1.00 74.33 ATOM 1628 O LEU 97 15.774 -28.659 4.199 1.00 14.40 ATOM 1629 N PRO 98 14.881 -27.430 2.535 1.00 13.05 ATOM 1630 CA PRO 98 15.241 -26.135 3.136 1.00 51.24 ATOM 1631 HA PRO 98 16.301 -26.087 3.351 1.00 22.23 ATOM 1632 CB PRO 98 14.895 -25.123 2.033 1.00 11.43 ATOM 1633 HB1 PRO 98 15.777 -24.909 1.446 1.00 37.46 ATOM 1634 HB2 PRO 98 14.525 -24.208 2.478 1.00 53.40 ATOM 1635 CG PRO 98 13.846 -25.796 1.213 1.00 63.10 ATOM 1636 HG1 PRO 98 13.883 -25.432 0.196 1.00 37.46 ATOM 1637 HG2 PRO 98 12.870 -25.612 1.641 1.00 54.41 ATOM 1638 CD PRO 98 14.167 -27.269 1.254 1.00 4.14 ATOM 1639 HD1 PRO 98 14.802 -27.544 0.423 1.00 37.46 ATOM 1640 HD2 PRO 98 13.258 -27.856 1.246 1.00 44.31 ATOM 1641 C PRO 98 14.451 -25.838 4.425 1.00 63.44 ATOM 1642 O PRO 98 13.254 -26.107 4.513 1.00 73.54 ATOM 1643 N THR 99 15.124 -25.262 5.418 1.00 22.33 ATOM 1644 HN THR 99 16.063 -25.016 5.274 1.00 37.46 ATOM 1645 CA THR 99 14.495 -24.982 6.720 1.00 41.03 ATOM 1646 HA THR 99 13.917 -25.853 6.997 1.00 54.44 ATOM 1647 CB THR 99 15.558 -24.744 7.828 1.00 13.52 ATOM 1648 HB THR 99 16.147 -25.645 7.929 1.00 53.35 ATOM 1649 OG1 THR 99 14.925 -24.463 9.092 1.00 13.04 ATOM 1650 HG1 THR 99 14.173 -23.877 8.953 1.00 75.41 ATOM 1651 CG2 THR 99 16.495 -23.596 7.456 1.00 45.10 ATOM 1652 HG21 THR 99 17.011 -23.836 6.537 1.00 13.04 ATOM 1653 HG22 THR 99 17.218 -23.451 8.244 1.00 30.33 ATOM 1654 HG23 THR 99 15.922 -22.688 7.323 1.00 10.00 ATOM 1655 C THR 99 13.549 -23.768 6.663 1.00 62.22 ATOM 1656 O THR 99 12.761 -23.540 7.585 1.00 3.43 ATOM 1657 N SER 100 13.621 -22.993 5.580 1.00 23.22 ATOM 1658 HN SER 100 14.251 -23.232 4.865 1.00 37.46 ATOM 1659 CA SER 100 12.801 -21.774 5.438 1.00 23.03 ATOM 1660 HA SER 100 12.708 -21.332 6.420 1.00 62.24 ATOM 1661 CB SER 100 13.495 -20.759 4.514 1.00 61.34 ATOM 1662 HB1 SER 100 13.589 -21.182 3.524 1.00 37.46 ATOM 1663 HB2 SER 100 14.479 -20.537 4.902 1.00 32.33 ATOM 1664 OG SER 100 12.757 -19.543 4.424 1.00 4.44 ATOM 1665 HG SER 100 12.139 -19.600 3.684 1.00 31.32 ATOM 1666 C SER 100 11.384 -22.066 4.907 1.00 14.44 ATOM 1667 O SER 100 10.622 -21.139 4.625 1.00 12.01 ATOM 1668 N ILE 101 11.029 -23.344 4.767 1.00 12.42 ATOM 1669 HN ILE 101 11.682 -24.047 4.965 1.00 37.46 ATOM 1670 CA ILE 101 9.681 -23.722 4.319 1.00 31.22 ATOM 1671 HA ILE 101 9.512 -23.255 3.358 1.00 72.32 ATOM 1672 CB ILE 101 9.549 -25.257 4.142 1.00 53.12 ATOM 1673 HB ILE 101 9.776 -25.724 5.091 1.00 10.53 ATOM 1674 CG1 ILE 101 10.544 -25.768 3.085 1.00 71.30 ATOM 1675 HG11 ILE 101 11.545 -25.465 3.364 1.00 37.46 ATOM 1676 HG12 ILE 101 10.299 -25.335 2.127 1.00 51.12 ATOM 1677 CG2 ILE 101 8.116 -25.635 3.760 1.00 12.33 ATOM 1678 HG21 ILE 101 7.846 -25.146 2.836 1.00 53.24 ATOM 1679 HG22 ILE 101 7.439 -25.322 4.543 1.00 35.42 ATOM 1680 HG23 ILE 101 8.045 -26.706 3.634 1.00 63.04 ATOM 1681 CD1 ILE 101 10.546 -27.276 2.920 1.00 63.21 ATOM 1682 HD11 ILE 101 9.565 -27.607 2.611 1.00 23.22 ATOM 1683 HD12 ILE 101 10.803 -27.741 3.860 1.00 53.13 ATOM 1684 HD13 ILE 101 11.272 -27.556 2.171 1.00 44.00 ATOM 1685 C ILE 101 8.605 -23.227 5.306 1.00 12.14 ATOM 1686 O ILE 101 8.633 -23.558 6.496 1.00 44.24 ATOM 1687 N THR 102 7.666 -22.430 4.800 1.00 43.11 ATOM 1688 HN THR 102 7.685 -22.227 3.841 1.00 37.46 ATOM 1689 CA THR 102 6.609 -21.830 5.629 1.00 32.41 ATOM 1690 HA THR 102 7.087 -21.167 6.337 1.00 1.12 ATOM 1691 CB THR 102 5.629 -20.989 4.773 1.00 71.15 ATOM 1692 HB THR 102 5.112 -21.650 4.090 1.00 72.10 ATOM 1693 OG1 THR 102 6.352 -20.010 4.012 1.00 73.20 ATOM 1694 HG1 THR 102 5.744 -19.565 3.409 1.00 62.24 ATOM 1695 CG2 THR 102 4.594 -20.284 5.647 1.00 11.20 ATOM 1696 HG21 THR 102 3.918 -19.720 5.021 1.00 3.13 ATOM 1697 HG22 THR 102 5.094 -19.614 6.331 1.00 40.35 ATOM 1698 HG23 THR 102 4.035 -21.018 6.210 1.00 11.42 ATOM 1699 C THR 102 5.799 -22.883 6.403 1.00 13.41 ATOM 1700 O THR 102 5.079 -23.690 5.808 1.00 72.22 ATOM 1701 N SER 103 5.932 -22.868 7.732 1.00 52.34 ATOM 1702 HN SER 103 6.567 -22.238 8.132 1.00 37.46 ATOM 1703 CA SER 103 5.157 -23.753 8.621 1.00 64.24 ATOM 1704 HA SER 103 5.470 -23.541 9.633 1.00 75.22 ATOM 1705 CB SER 103 3.654 -23.444 8.505 1.00 73.53 ATOM 1706 HB1 SER 103 3.095 -24.131 9.125 1.00 37.46 ATOM 1707 HB2 SER 103 3.343 -23.554 7.477 1.00 54.41 ATOM 1708 OG SER 103 3.375 -22.116 8.927 1.00 54.02 ATOM 1709 HG SER 103 2.559 -21.807 8.508 1.00 50.05 ATOM 1710 C SER 103 5.418 -25.244 8.345 1.00 23.14 ATOM 1711 O SER 103 4.547 -26.089 8.576 1.00 11.01 ATOM 1712 N ALA 104 6.630 -25.561 7.889 1.00 61.34 ATOM 1713 HN ALA 104 7.276 -24.842 7.723 1.00 37.46 ATOM 1714 CA ALA 104 7.031 -26.949 7.619 1.00 41.21 ATOM 1715 HA ALA 104 6.448 -27.305 6.780 1.00 23.23 ATOM 1716 CB ALA 104 8.504 -27.003 7.227 1.00 73.03 ATOM 1717 HB1 ALA 104 8.770 -28.015 6.952 1.00 35.31 ATOM 1718 HB2 ALA 104 9.114 -26.686 8.061 1.00 4.41 ATOM 1719 HB3 ALA 104 8.678 -26.346 6.387 1.00 41.23 ATOM 1720 C ALA 104 6.772 -27.862 8.825 1.00 74.24 ATOM 1721 O ALA 104 6.264 -28.973 8.677 1.00 14.53 ATOM 1722 N ALA 105 7.102 -27.372 10.018 1.00 73.54 ATOM 1723 HN ALA 105 7.481 -26.466 10.069 1.00 37.46 ATOM 1724 CA ALA 105 6.924 -28.140 11.254 1.00 63.30 ATOM 1725 HA ALA 105 7.552 -29.017 11.188 1.00 15.15 ATOM 1726 CB ALA 105 7.393 -27.318 12.448 1.00 2.23 ATOM 1727 HB1 ALA 105 6.747 -26.461 12.574 1.00 11.31 ATOM 1728 HB2 ALA 105 8.405 -26.982 12.279 1.00 73.31 ATOM 1729 HB3 ALA 105 7.361 -27.927 13.340 1.00 11.23 ATOM 1730 C ALA 105 5.466 -28.588 11.454 1.00 54.52 ATOM 1731 O ALA 105 5.200 -29.734 11.816 1.00 34.23 ATOM 1732 N PHE 106 4.525 -27.680 11.212 1.00 63.42 ATOM 1733 HN PHE 106 4.793 -26.783 10.926 1.00 37.46 ATOM 1734 CA PHE 106 3.098 -27.989 11.362 1.00 43.43 ATOM 1735 HA PHE 106 2.976 -28.544 12.281 1.00 50.12 ATOM 1736 CB PHE 106 2.283 -26.687 11.456 1.00 51.25 ATOM 1737 HB1 PHE 106 2.295 -26.191 10.495 1.00 37.46 ATOM 1738 HB2 PHE 106 2.736 -26.037 12.191 1.00 23.14 ATOM 1739 CG PHE 106 0.841 -26.900 11.853 1.00 64.35 ATOM 1740 CD1 PHE 106 -0.163 -26.967 10.895 1.00 60.13 ATOM 1741 HD1 PHE 106 0.091 -26.864 9.849 1.00 52.15 ATOM 1742 CD2 PHE 106 0.493 -27.035 13.190 1.00 61.03 ATOM 1743 HD2 PHE 106 1.263 -26.984 13.946 1.00 55.45 ATOM 1744 CE1 PHE 106 -1.480 -27.168 11.264 1.00 42.10 ATOM 1745 HE1 PHE 106 -2.251 -27.219 10.508 1.00 52.15 ATOM 1746 CE2 PHE 106 -0.822 -27.235 13.563 1.00 12.52 ATOM 1747 HE2 PHE 106 -1.078 -27.338 14.607 1.00 15.00 ATOM 1748 CZ PHE 106 -1.810 -27.300 12.599 1.00 3.22 ATOM 1749 HZ PHE 106 -2.839 -27.457 12.888 1.00 30.24 ATOM 1750 C PHE 106 2.592 -28.852 10.193 1.00 34.01 ATOM 1751 O PHE 106 1.728 -29.713 10.370 1.00 12.31 ATOM 1752 N THR 107 3.155 -28.625 9.005 1.00 13.34 ATOM 1753 HN THR 107 3.890 -27.977 8.947 1.00 37.46 ATOM 1754 CA THR 107 2.719 -29.322 7.783 1.00 23.13 ATOM 1755 HA THR 107 1.641 -29.260 7.733 1.00 0.12 ATOM 1756 CB THR 107 3.301 -28.644 6.512 1.00 34.23 ATOM 1757 HB THR 107 4.379 -28.734 6.539 1.00 51.21 ATOM 1758 OG1 THR 107 2.953 -27.248 6.485 1.00 41.04 ATOM 1759 HG1 THR 107 3.209 -26.837 7.316 1.00 33.43 ATOM 1760 CG2 THR 107 2.791 -29.309 5.239 1.00 33.04 ATOM 1761 HG21 THR 107 1.714 -29.243 5.203 1.00 14.34 ATOM 1762 HG22 THR 107 3.088 -30.349 5.228 1.00 52.01 ATOM 1763 HG23 THR 107 3.209 -28.807 4.379 1.00 0.33 ATOM 1764 C THR 107 3.131 -30.805 7.795 1.00 53.40 ATOM 1765 O THR 107 2.294 -31.695 7.624 1.00 62.14 ATOM 1766 N LEU 108 4.421 -31.063 8.020 1.00 32.54 ATOM 1767 HN LEU 108 5.034 -30.313 8.171 1.00 37.46 ATOM 1768 CA LEU 108 4.951 -32.435 8.057 1.00 21.34 ATOM 1769 HA LEU 108 4.815 -32.867 7.076 1.00 22.25 ATOM 1770 CB LEU 108 6.449 -32.417 8.391 1.00 22.34 ATOM 1771 HB1 LEU 108 6.790 -33.441 8.467 1.00 37.46 ATOM 1772 HB2 LEU 108 6.572 -31.945 9.357 1.00 31.04 ATOM 1773 CG LEU 108 7.347 -31.688 7.379 1.00 45.34 ATOM 1774 HG LEU 108 6.997 -30.670 7.267 1.00 33.24 ATOM 1775 CD1 LEU 108 8.785 -31.635 7.885 1.00 72.14 ATOM 1776 HD11 LEU 108 8.819 -31.086 8.817 1.00 52.34 ATOM 1777 HD12 LEU 108 9.407 -31.138 7.154 1.00 50.53 ATOM 1778 HD13 LEU 108 9.151 -32.638 8.046 1.00 35.21 ATOM 1779 CD2 LEU 108 7.279 -32.363 6.009 1.00 13.41 ATOM 1780 HD21 LEU 108 7.916 -31.834 5.314 1.00 11.24 ATOM 1781 HD22 LEU 108 6.262 -32.344 5.648 1.00 73.54 ATOM 1782 HD23 LEU 108 7.612 -33.388 6.093 1.00 63.40 ATOM 1783 C LEU 108 4.202 -33.297 9.084 1.00 42.24 ATOM 1784 O LEU 108 3.968 -34.488 8.862 1.00 74.12 ATOM 1785 N ARG 109 3.825 -32.678 10.203 1.00 11.03 ATOM 1786 HN ARG 109 4.071 -31.737 10.325 1.00 37.46 ATOM 1787 CA ARG 109 3.066 -33.354 11.261 1.00 5.33 ATOM 1788 HA ARG 109 3.701 -34.117 11.690 1.00 22.03 ATOM 1789 CB ARG 109 2.692 -32.341 12.354 1.00 73.42 ATOM 1790 HB1 ARG 109 2.019 -31.609 11.932 1.00 37.46 ATOM 1791 HB2 ARG 109 3.593 -31.835 12.674 1.00 53.32 ATOM 1792 CG ARG 109 2.027 -32.957 13.590 1.00 43.42 ATOM 1793 HG1 ARG 109 2.771 -33.067 14.369 1.00 37.46 ATOM 1794 HG2 ARG 109 1.639 -33.931 13.330 1.00 54.32 ATOM 1795 CD ARG 109 0.874 -32.099 14.123 1.00 45.44 ATOM 1796 HD1 ARG 109 1.097 -31.056 13.939 1.00 37.46 ATOM 1797 HD2 ARG 109 0.786 -32.263 15.187 1.00 40.42 ATOM 1798 NE ARG 109 -0.405 -32.437 13.487 1.00 45.31 ATOM 1799 HE ARG 109 -0.975 -33.080 13.949 1.00 72.24 ATOM 1800 CZ ARG 109 -0.824 -31.958 12.344 1.00 31.10 ATOM 1801 NH1 ARG 109 -0.125 -31.086 11.690 1.00 44.21 ATOM 1802 HH11 ARG 109 0.740 -30.764 12.053 1.00 62.32 ATOM 1803 HH12 ARG 109 -0.450 -30.753 10.804 1.00 62.03 ATOM 1804 NH2 ARG 109 -1.956 -32.350 11.851 1.00 42.42 ATOM 1805 HH21 ARG 109 -2.513 -33.013 12.342 1.00 53.01 ATOM 1806 HH22 ARG 109 -2.260 -31.995 10.967 1.00 52.32 ATOM 1807 C ARG 109 1.790 -34.016 10.705 1.00 11.54 ATOM 1808 O ARG 109 1.437 -35.130 11.092 1.00 11.33 ATOM 1809 N THR 110 1.107 -33.318 9.794 1.00 62.22 ATOM 1810 HN THR 110 1.450 -32.443 9.513 1.00 37.46 ATOM 1811 CA THR 110 -0.138 -33.822 9.191 1.00 1.23 ATOM 1812 HA THR 110 -0.767 -34.193 9.990 1.00 24.22 ATOM 1813 CB THR 110 -0.912 -32.698 8.448 1.00 62.32 ATOM 1814 HB THR 110 -0.292 -32.325 7.643 1.00 73.13 ATOM 1815 OG1 THR 110 -1.207 -31.612 9.345 1.00 24.44 ATOM 1816 HG1 THR 110 -1.367 -30.807 8.829 1.00 24.31 ATOM 1817 CG2 THR 110 -2.216 -33.226 7.851 1.00 63.34 ATOM 1818 HG21 THR 110 -1.997 -33.997 7.126 1.00 64.11 ATOM 1819 HG22 THR 110 -2.744 -32.417 7.366 1.00 33.55 ATOM 1820 HG23 THR 110 -2.833 -33.636 8.637 1.00 1.20 ATOM 1821 C THR 110 0.138 -34.968 8.204 1.00 4.33 ATOM 1822 O THR 110 -0.446 -36.048 8.308 1.00 50.42 ATOM 1823 N GLN 111 1.037 -34.725 7.252 1.00 3.01 ATOM 1824 HN GLN 111 1.488 -33.851 7.239 1.00 37.46 ATOM 1825 CA GLN 111 1.381 -35.723 6.226 1.00 24.12 ATOM 1826 HA GLN 111 0.475 -35.947 5.679 1.00 3.32 ATOM 1827 CB GLN 111 2.413 -35.141 5.245 1.00 11.35 ATOM 1828 HB1 GLN 111 2.921 -35.958 4.750 1.00 37.46 ATOM 1829 HB2 GLN 111 3.141 -34.569 5.804 1.00 0.24 ATOM 1830 CG GLN 111 1.816 -34.232 4.169 1.00 53.12 ATOM 1831 HG1 GLN 111 1.230 -34.842 3.494 1.00 37.46 ATOM 1832 HG2 GLN 111 2.624 -33.775 3.619 1.00 35.03 ATOM 1833 CD GLN 111 0.925 -33.127 4.719 1.00 25.53 ATOM 1834 OE1 GLN 111 1.384 -32.040 5.036 1.00 74.42 ATOM 1835 NE2 GLN 111 -0.362 -33.394 4.817 1.00 22.23 ATOM 1836 HE21 GLN 111 -0.674 -34.275 4.532 1.00 5.14 ATOM 1837 HE22 GLN 111 -0.952 -32.694 5.167 1.00 44.40 ATOM 1838 C GLN 111 1.904 -37.031 6.844 1.00 61.03 ATOM 1839 O GLN 111 1.415 -38.120 6.526 1.00 44.00 ATOM 1840 N TYR 112 2.895 -36.921 7.727 1.00 52.44 ATOM 1841 HN TYR 112 3.266 -36.033 7.918 1.00 37.46 ATOM 1842 CA TYR 112 3.447 -38.091 8.424 1.00 52.55 ATOM 1843 HA TYR 112 3.896 -38.737 7.682 1.00 52.24 ATOM 1844 CB TYR 112 4.527 -37.648 9.423 1.00 52.22 ATOM 1845 HB1 TYR 112 4.090 -36.954 10.129 1.00 37.46 ATOM 1846 HB2 TYR 112 5.318 -37.147 8.882 1.00 72.15 ATOM 1847 CG TYR 112 5.152 -38.790 10.211 1.00 41.25 ATOM 1848 CD1 TYR 112 4.695 -39.124 11.483 1.00 10.23 ATOM 1849 HD1 TYR 112 3.880 -38.558 11.913 1.00 63.10 ATOM 1850 CD2 TYR 112 6.199 -39.532 9.681 1.00 41.43 ATOM 1851 HD2 TYR 112 6.568 -39.291 8.695 1.00 71.03 ATOM 1852 CE1 TYR 112 5.265 -40.159 12.200 1.00 23.13 ATOM 1853 HE1 TYR 112 4.895 -40.400 13.187 1.00 4.34 ATOM 1854 CE2 TYR 112 6.772 -40.569 10.392 1.00 25.15 ATOM 1855 HE2 TYR 112 7.584 -41.132 9.962 1.00 12.25 ATOM 1856 CZ TYR 112 6.303 -40.878 11.650 1.00 44.41 ATOM 1857 OH TYR 112 6.875 -41.909 12.359 1.00 20.35 ATOM 1858 HH TYR 112 6.255 -42.217 13.035 1.00 23.52 ATOM 1859 C TYR 112 2.342 -38.871 9.156 1.00 70.24 ATOM 1860 O TYR 112 2.292 -40.102 9.108 1.00 30.32 ATOM 1861 N MET 113 1.455 -38.134 9.816 1.00 75.12 ATOM 1862 HN MET 113 1.543 -37.156 9.793 1.00 37.46 ATOM 1863 CA MET 113 0.352 -38.723 10.582 1.00 24.32 ATOM 1864 HA MET 113 0.779 -39.382 11.322 1.00 14.23 ATOM 1865 CB MET 113 -0.410 -37.604 11.297 1.00 22.43 ATOM 1866 HB1 MET 113 -0.856 -36.959 10.552 1.00 37.46 ATOM 1867 HB2 MET 113 0.294 -37.025 11.878 1.00 33.11 ATOM 1868 CG MET 113 -1.511 -38.084 12.231 1.00 13.32 ATOM 1869 HG1 MET 113 -1.081 -38.746 12.968 1.00 37.46 ATOM 1870 HG2 MET 113 -2.251 -38.619 11.652 1.00 0.03 ATOM 1871 SD MET 113 -2.319 -36.714 13.080 1.00 62.04 ATOM 1872 CE MET 113 -0.902 -35.911 13.826 1.00 11.42 ATOM 1873 HE1 MET 113 -0.417 -36.595 14.507 1.00 52.44 ATOM 1874 HE2 MET 113 -1.228 -35.036 14.367 1.00 61.50 ATOM 1875 HE3 MET 113 -0.207 -35.618 13.054 1.00 31.41 ATOM 1876 C MET 113 -0.606 -39.531 9.689 1.00 31.31 ATOM 1877 O MET 113 -1.087 -40.595 10.080 1.00 40.11 ATOM 1878 N LYS 114 -0.878 -39.014 8.493 1.00 22.51 ATOM 1879 HN LYS 114 -0.462 -38.162 8.237 1.00 37.46 ATOM 1880 CA LYS 114 -1.790 -39.675 7.551 1.00 44.44 ATOM 1881 HA LYS 114 -2.728 -39.842 8.061 1.00 55.23 ATOM 1882 CB LYS 114 -2.045 -38.778 6.330 1.00 12.05 ATOM 1883 HB1 LYS 114 -2.627 -39.335 5.609 1.00 37.46 ATOM 1884 HB2 LYS 114 -1.095 -38.521 5.884 1.00 10.22 ATOM 1885 CG LYS 114 -2.790 -37.481 6.636 1.00 32.33 ATOM 1886 HG1 LYS 114 -2.223 -36.914 7.362 1.00 37.46 ATOM 1887 HG2 LYS 114 -3.763 -37.719 7.043 1.00 70.31 ATOM 1888 CD LYS 114 -2.970 -36.635 5.374 1.00 34.15 ATOM 1889 HD1 LYS 114 -1.996 -36.360 4.993 1.00 37.46 ATOM 1890 HD2 LYS 114 -3.521 -35.740 5.628 1.00 72.03 ATOM 1891 CE LYS 114 -3.732 -37.390 4.287 1.00 73.11 ATOM 1892 HE1 LYS 114 -4.732 -37.596 4.641 1.00 37.46 ATOM 1893 HE2 LYS 114 -3.224 -38.322 4.088 1.00 14.31 ATOM 1894 NZ LYS 114 -3.816 -36.616 3.021 1.00 61.11 ATOM 1895 HZ1 LYS 114 -2.865 -36.469 2.628 1.00 23.53 ATOM 1896 HZ2 LYS 114 -4.257 -35.687 3.191 1.00 11.12 ATOM 1897 HZ3 LYS 114 -4.388 -37.136 2.326 1.00 44.11 ATOM 1898 C LYS 114 -1.247 -41.029 7.061 1.00 70.44 ATOM 1899 O LYS 114 -1.959 -42.034 7.065 1.00 35.33 ATOM 1900 N TYR 115 0.015 -41.046 6.636 1.00 30.41 ATOM 1901 HN TYR 115 0.586 -40.268 6.806 1.00 37.46 ATOM 1902 CA TYR 115 0.564 -42.201 5.911 1.00 3.12 ATOM 1903 HA TYR 115 -0.270 -42.815 5.599 1.00 14.51 ATOM 1904 CB TYR 115 1.296 -41.712 4.649 1.00 72.11 ATOM 1905 HB1 TYR 115 1.529 -42.562 4.024 1.00 37.46 ATOM 1906 HB2 TYR 115 2.216 -41.223 4.939 1.00 21.14 ATOM 1907 CG TYR 115 0.483 -40.729 3.817 1.00 21.03 ATOM 1908 CD1 TYR 115 -0.609 -41.151 3.062 1.00 2.50 ATOM 1909 HD1 TYR 115 -0.877 -42.196 3.065 1.00 44.11 ATOM 1910 CD2 TYR 115 0.804 -39.374 3.794 1.00 41.52 ATOM 1911 HD2 TYR 115 1.650 -39.025 4.369 1.00 55.33 ATOM 1912 CE1 TYR 115 -1.354 -40.255 2.316 1.00 0.11 ATOM 1913 HE1 TYR 115 -2.197 -40.606 1.737 1.00 30.00 ATOM 1914 CE2 TYR 115 0.065 -38.474 3.049 1.00 4.21 ATOM 1915 HE2 TYR 115 0.332 -37.427 3.047 1.00 71.13 ATOM 1916 CZ TYR 115 -1.013 -38.920 2.313 1.00 54.33 ATOM 1917 OH TYR 115 -1.754 -38.023 1.575 1.00 73.41 ATOM 1918 HH TYR 115 -1.165 -37.515 1.005 1.00 73.20 ATOM 1919 C TYR 115 1.511 -43.073 6.767 1.00 22.43 ATOM 1920 O TYR 115 1.357 -44.293 6.819 1.00 15.12 ATOM 1921 N LEU 116 2.477 -42.452 7.442 1.00 3.31 ATOM 1922 HN LEU 116 2.457 -41.476 7.513 1.00 37.46 ATOM 1923 CA LEU 116 3.566 -43.199 8.100 1.00 54.24 ATOM 1924 HA LEU 116 3.694 -44.130 7.565 1.00 22.23 ATOM 1925 CB LEU 116 4.873 -42.404 7.997 1.00 70.53 ATOM 1926 HB1 LEU 116 5.647 -42.955 8.513 1.00 37.46 ATOM 1927 HB2 LEU 116 4.732 -41.459 8.502 1.00 13.23 ATOM 1928 CG LEU 116 5.359 -42.121 6.565 1.00 32.51 ATOM 1929 HG LEU 116 4.589 -41.581 6.030 1.00 65.53 ATOM 1930 CD1 LEU 116 6.611 -41.250 6.589 1.00 2.44 ATOM 1931 HD11 LEU 116 6.388 -40.310 7.074 1.00 64.43 ATOM 1932 HD12 LEU 116 6.941 -41.062 5.578 1.00 24.25 ATOM 1933 HD13 LEU 116 7.395 -41.758 7.134 1.00 62.30 ATOM 1934 CD2 LEU 116 5.629 -43.425 5.818 1.00 5.32 ATOM 1935 HD21 LEU 116 4.726 -44.017 5.785 1.00 10.30 ATOM 1936 HD22 LEU 116 6.406 -43.980 6.325 1.00 42.12 ATOM 1937 HD23 LEU 116 5.949 -43.203 4.809 1.00 10.23 ATOM 1938 C LEU 116 3.279 -43.530 9.577 1.00 32.02 ATOM 1939 O LEU 116 3.852 -44.474 10.126 1.00 40.34 ATOM 1940 N TYR 117 2.387 -42.769 10.213 1.00 13.50 ATOM 1941 HN TYR 117 1.899 -42.086 9.707 1.00 37.46 ATOM 1942 CA TYR 117 2.114 -42.935 11.654 1.00 54.30 ATOM 1943 HA TYR 117 3.039 -42.720 12.173 1.00 1.20 ATOM 1944 CB TYR 117 1.057 -41.930 12.130 1.00 22.33 ATOM 1945 HB1 TYR 117 0.158 -42.058 11.544 1.00 37.46 ATOM 1946 HB2 TYR 117 1.436 -40.929 11.983 1.00 32.54 ATOM 1947 CG TYR 117 0.690 -42.077 13.598 1.00 43.01 ATOM 1948 CD1 TYR 117 -0.571 -42.526 13.985 1.00 52.51 ATOM 1949 HD1 TYR 117 -1.301 -42.771 13.224 1.00 33.14 ATOM 1950 CD2 TYR 117 1.611 -41.771 14.597 1.00 32.42 ATOM 1951 HD2 TYR 117 2.596 -41.422 14.315 1.00 65.13 ATOM 1952 CE1 TYR 117 -0.900 -42.664 15.321 1.00 0.52 ATOM 1953 HE1 TYR 117 -1.884 -43.013 15.602 1.00 61.33 ATOM 1954 CE2 TYR 117 1.287 -41.907 15.934 1.00 33.54 ATOM 1955 HE2 TYR 117 2.017 -41.662 16.693 1.00 2.34 ATOM 1956 CZ TYR 117 0.031 -42.352 16.290 1.00 53.31 ATOM 1957 OH TYR 117 -0.297 -42.489 17.620 1.00 2.24 ATOM 1958 HH TYR 117 0.012 -41.722 18.109 1.00 0.34 ATOM 1959 C TYR 117 1.688 -44.374 12.028 1.00 43.23 ATOM 1960 O TYR 117 2.214 -44.941 12.989 1.00 11.35 ATOM 1961 N PRO 118 0.735 -45.002 11.295 1.00 53.13 ATOM 1962 CA PRO 118 0.307 -46.381 11.599 1.00 33.13 ATOM 1963 HA PRO 118 -0.206 -46.429 12.551 1.00 34.31 ATOM 1964 CB PRO 118 -0.685 -46.712 10.463 1.00 54.35 ATOM 1965 HB1 PRO 118 -1.697 -46.631 10.834 1.00 37.46 ATOM 1966 HB2 PRO 118 -0.512 -47.717 10.101 1.00 54.12 ATOM 1967 CG PRO 118 -0.415 -45.696 9.402 1.00 1.12 ATOM 1968 HG1 PRO 118 -1.312 -45.511 8.829 1.00 37.46 ATOM 1969 HG2 PRO 118 0.381 -46.038 8.754 1.00 35.23 ATOM 1970 CD PRO 118 0.002 -44.454 10.134 1.00 64.43 ATOM 1971 HD1 PRO 118 -0.865 -43.890 10.451 1.00 37.46 ATOM 1972 HD2 PRO 118 0.646 -43.847 9.515 1.00 44.25 ATOM 1973 C PRO 118 1.481 -47.378 11.616 1.00 55.05 ATOM 1974 O PRO 118 1.444 -48.389 12.322 1.00 0.34 ATOM 1975 N TYR 119 2.534 -47.071 10.860 1.00 45.13 ATOM 1976 HN TYR 119 2.543 -46.213 10.384 1.00 37.46 ATOM 1977 CA TYR 119 3.682 -47.970 10.728 1.00 31.11 ATOM 1978 HA TYR 119 3.295 -48.971 10.589 1.00 4.44 ATOM 1979 CB TYR 119 4.509 -47.589 9.489 1.00 14.54 ATOM 1980 HB1 TYR 119 5.219 -46.818 9.758 1.00 37.46 ATOM 1981 HB2 TYR 119 3.846 -47.204 8.728 1.00 53.22 ATOM 1982 CG TYR 119 5.284 -48.750 8.885 1.00 30.25 ATOM 1983 CD1 TYR 119 6.565 -49.068 9.321 1.00 4.52 ATOM 1984 HD1 TYR 119 7.014 -48.479 10.108 1.00 64.12 ATOM 1985 CD2 TYR 119 4.728 -49.526 7.871 1.00 24.14 ATOM 1986 HD2 TYR 119 3.733 -49.294 7.517 1.00 53.24 ATOM 1987 CE1 TYR 119 7.269 -50.122 8.766 1.00 1.40 ATOM 1988 HE1 TYR 119 8.262 -50.352 9.120 1.00 21.22 ATOM 1989 CE2 TYR 119 5.425 -50.580 7.313 1.00 34.45 ATOM 1990 HE2 TYR 119 4.974 -51.170 6.528 1.00 20.20 ATOM 1991 CZ TYR 119 6.694 -50.874 7.763 1.00 51.34 ATOM 1992 OH TYR 119 7.392 -51.923 7.205 1.00 42.50 ATOM 1993 HH TYR 119 7.328 -51.875 6.246 1.00 33.12 ATOM 1994 C TYR 119 4.562 -47.962 11.998 1.00 45.11 ATOM 1995 O TYR 119 5.016 -49.019 12.447 1.00 11.41 ATOM 1996 N GLU 120 4.803 -46.779 12.586 1.00 74.11 ATOM 1997 HN GLU 120 4.447 -45.956 12.183 1.00 37.46 ATOM 1998 CA GLU 120 5.599 -46.699 13.827 1.00 75.35 ATOM 1999 HA GLU 120 6.521 -47.239 13.653 1.00 51.13 ATOM 2000 CB GLU 120 5.943 -45.242 14.218 1.00 31.20 ATOM 2001 HB1 GLU 120 6.345 -44.740 13.349 1.00 37.46 ATOM 2002 HB2 GLU 120 6.704 -45.264 14.986 1.00 44.25 ATOM 2003 CG GLU 120 4.761 -44.421 14.741 1.00 12.12 ATOM 2004 HG1 GLU 120 4.172 -45.043 15.402 1.00 37.46 ATOM 2005 HG2 GLU 120 4.152 -44.121 13.901 1.00 12.13 ATOM 2006 CD GLU 120 5.190 -43.167 15.502 1.00 63.53 ATOM 2007 OE1 GLU 120 5.443 -42.131 14.855 1.00 53.14 ATOM 2008 OE2 GLU 120 5.268 -43.216 16.754 1.00 1.20 ATOM 2009 C GLU 120 4.853 -47.377 14.984 1.00 33.52 ATOM 2010 O GLU 120 5.453 -48.070 15.808 1.00 31.14 ATOM 2011 N CYS 121 3.538 -47.177 15.028 1.00 10.35 ATOM 2012 HN CYS 121 3.129 -46.590 14.355 1.00 37.46 ATOM 2013 CA CYS 121 2.685 -47.783 16.055 1.00 30.34 ATOM 2014 HA CYS 121 3.090 -47.513 17.021 1.00 72.24 ATOM 2015 CB CYS 121 1.257 -47.232 15.946 1.00 23.03 ATOM 2016 HB1 CYS 121 0.874 -47.438 14.956 1.00 37.46 ATOM 2017 HB2 CYS 121 1.279 -46.162 16.097 1.00 30.24 ATOM 2018 SG CYS 121 0.092 -47.926 17.142 1.00 34.20 ATOM 2019 HG CYS 121 -0.174 -46.991 18.045 1.00 62.31 ATOM 2020 C CYS 121 2.666 -49.317 15.940 1.00 43.43 ATOM 2021 O CYS 121 2.746 -50.028 16.941 1.00 32.13 ATOM 2022 N GLU 122 2.581 -49.817 14.711 1.00 24.13 ATOM 2023 HN GLU 122 2.548 -49.200 13.950 1.00 37.46 ATOM 2024 CA GLU 122 2.515 -51.262 14.459 1.00 24.03 ATOM 2025 HA GLU 122 1.738 -51.670 15.089 1.00 43.11 ATOM 2026 CB GLU 122 2.137 -51.508 12.992 1.00 75.44 ATOM 2027 HB1 GLU 122 2.886 -51.050 12.360 1.00 37.46 ATOM 2028 HB2 GLU 122 1.183 -51.037 12.796 1.00 23.51 ATOM 2029 CG GLU 122 2.024 -52.981 12.610 1.00 72.32 ATOM 2030 HG1 GLU 122 2.983 -53.457 12.772 1.00 37.46 ATOM 2031 HG2 GLU 122 1.768 -53.049 11.562 1.00 75.21 ATOM 2032 CD GLU 122 0.966 -53.722 13.415 1.00 50.21 ATOM 2033 OE1 GLU 122 -0.241 -53.494 13.180 1.00 2.44 ATOM 2034 OE2 GLU 122 1.332 -54.549 14.273 1.00 15.10 ATOM 2035 C GLU 122 3.842 -51.979 14.785 1.00 53.34 ATOM 2036 O GLU 122 3.860 -52.990 15.486 1.00 32.42 ATOM 2037 N LYS 123 4.949 -51.454 14.267 1.00 3.32 ATOM 2038 HN LYS 123 4.890 -50.607 13.775 1.00 37.46 ATOM 2039 CA LYS 123 6.257 -52.113 14.408 1.00 32.01 ATOM 2040 HA LYS 123 6.094 -53.181 14.339 1.00 24.21 ATOM 2041 CB LYS 123 7.178 -51.687 13.254 1.00 43.33 ATOM 2042 HB1 LYS 123 8.123 -52.203 13.351 1.00 37.46 ATOM 2043 HB2 LYS 123 7.353 -50.622 13.320 1.00 0.32 ATOM 2044 CG LYS 123 6.605 -51.994 11.869 1.00 34.45 ATOM 2045 HG1 LYS 123 7.279 -51.606 11.116 1.00 37.46 ATOM 2046 HG2 LYS 123 5.646 -51.507 11.777 1.00 22.02 ATOM 2047 CD LYS 123 6.418 -53.494 11.642 1.00 32.41 ATOM 2048 HD1 LYS 123 5.787 -53.891 12.425 1.00 37.46 ATOM 2049 HD2 LYS 123 7.384 -53.978 11.682 1.00 33.43 ATOM 2050 CE LYS 123 5.775 -53.792 10.291 1.00 70.42 ATOM 2051 HE1 LYS 123 6.355 -53.317 9.512 1.00 37.46 ATOM 2052 HE2 LYS 123 4.773 -53.388 10.285 1.00 34.43 ATOM 2053 NZ LYS 123 5.703 -55.253 10.021 1.00 2.44 ATOM 2054 HZ1 LYS 123 6.650 -55.678 10.095 1.00 11.03 ATOM 2055 HZ2 LYS 123 5.338 -55.424 9.063 1.00 61.20 ATOM 2056 HZ3 LYS 123 5.073 -55.716 10.706 1.00 54.52 ATOM 2057 C LYS 123 6.926 -51.813 15.763 1.00 13.23 ATOM 2058 O LYS 123 7.597 -52.672 16.339 1.00 70.03 ATOM 2059 N ARG 124 6.745 -50.598 16.270 1.00 41.53 ATOM 2060 HN ARG 124 6.161 -49.969 15.799 1.00 37.46 ATOM 2061 CA ARG 124 7.402 -50.176 17.517 1.00 22.11 ATOM 2062 HA ARG 124 8.029 -50.992 17.850 1.00 32.42 ATOM 2063 CB ARG 124 8.296 -48.956 17.247 1.00 3.12 ATOM 2064 HB1 ARG 124 8.546 -48.491 18.190 1.00 37.46 ATOM 2065 HB2 ARG 124 7.741 -48.247 16.647 1.00 53.14 ATOM 2066 CG ARG 124 9.598 -49.280 16.517 1.00 70.11 ATOM 2067 HG1 ARG 124 10.111 -48.356 16.284 1.00 37.46 ATOM 2068 HG2 ARG 124 9.368 -49.807 15.601 1.00 4.22 ATOM 2069 CD ARG 124 10.512 -50.151 17.374 1.00 73.23 ATOM 2070 HD1 ARG 124 10.005 -51.081 17.581 1.00 37.46 ATOM 2071 HD2 ARG 124 10.708 -49.636 18.304 1.00 11.35 ATOM 2072 NE ARG 124 11.788 -50.438 16.718 1.00 71.20 ATOM 2073 HE ARG 124 12.054 -49.862 15.971 1.00 73.33 ATOM 2074 CZ ARG 124 12.597 -51.399 17.080 1.00 21.22 ATOM 2075 NH1 ARG 124 12.290 -52.184 18.062 1.00 23.32 ATOM 2076 HH11 ARG 124 11.434 -52.058 18.550 1.00 25.43 ATOM 2077 HH12 ARG 124 12.913 -52.915 18.327 1.00 55.33 ATOM 2078 NH2 ARG 124 13.718 -51.573 16.460 1.00 35.34 ATOM 2079 HH21 ARG 124 13.975 -50.972 15.702 1.00 61.22 ATOM 2080 HH22 ARG 124 14.333 -52.308 16.745 1.00 43.11 ATOM 2081 C ARG 124 6.403 -49.847 18.640 1.00 52.15 ATOM 2082 O ARG 124 6.635 -50.182 19.803 1.00 32.10 ATOM 2083 N GLY 125 5.300 -49.193 18.294 1.00 74.41 ATOM 2084 HN GLY 125 5.105 -49.052 17.347 1.00 37.46 ATOM 2085 CA GLY 125 4.368 -48.707 19.307 1.00 20.02 ATOM 2086 HA1 GLY 125 4.125 -49.517 19.982 1.00 37.46 ATOM 2087 HA2 GLY 125 3.464 -48.377 18.817 1.00 11.25 ATOM 2088 C GLY 125 4.944 -47.547 20.112 1.00 51.22 ATOM 2089 O GLY 125 4.747 -47.457 21.324 1.00 23.45 ATOM 2090 N LEU 126 5.661 -46.656 19.428 1.00 4.51 ATOM 2091 HN LEU 126 5.729 -46.754 18.455 1.00 37.46 ATOM 2092 CA LEU 126 6.352 -45.535 20.079 1.00 2.20 ATOM 2093 HA LEU 126 7.014 -45.947 20.826 1.00 71.20 ATOM 2094 CB LEU 126 7.191 -44.775 19.041 1.00 65.24 ATOM 2095 HB1 LEU 126 7.684 -43.952 19.539 1.00 37.46 ATOM 2096 HB2 LEU 126 6.519 -44.370 18.296 1.00 2.13 ATOM 2097 CG LEU 126 8.262 -45.617 18.322 1.00 45.03 ATOM 2098 HG LEU 126 7.788 -46.487 17.893 1.00 50.12 ATOM 2099 CD1 LEU 126 8.910 -44.836 17.183 1.00 11.10 ATOM 2100 HD11 LEU 126 9.655 -45.455 16.703 1.00 70.04 ATOM 2101 HD12 LEU 126 9.379 -43.944 17.574 1.00 52.45 ATOM 2102 HD13 LEU 126 8.156 -44.560 16.461 1.00 12.11 ATOM 2103 CD2 LEU 126 9.322 -46.102 19.309 1.00 23.22 ATOM 2104 HD21 LEU 126 10.054 -46.700 18.786 1.00 44.51 ATOM 2105 HD22 LEU 126 8.854 -46.701 20.077 1.00 65.42 ATOM 2106 HD23 LEU 126 9.812 -45.252 19.762 1.00 70.02 ATOM 2107 C LEU 126 5.370 -44.574 20.769 1.00 23.05 ATOM 2108 O LEU 126 5.403 -44.404 21.992 1.00 34.42 ATOM 2109 N SER 127 4.493 -43.958 19.983 1.00 12.21 ATOM 2110 HN SER 127 4.496 -44.152 19.021 1.00 37.46 ATOM 2111 CA SER 127 3.526 -42.986 20.512 1.00 32.11 ATOM 2112 HA SER 127 3.837 -42.710 21.511 1.00 25.10 ATOM 2113 CB SER 127 3.508 -41.728 19.634 1.00 61.02 ATOM 2114 HB1 SER 127 2.923 -40.964 20.127 1.00 37.46 ATOM 2115 HB2 SER 127 3.059 -41.959 18.683 1.00 2.42 ATOM 2116 OG SER 127 4.816 -41.217 19.405 1.00 62.43 ATOM 2117 HG SER 127 5.252 -41.752 18.727 1.00 74.42 ATOM 2118 C SER 127 2.104 -43.569 20.580 1.00 40.13 ATOM 2119 O SER 127 1.813 -44.609 19.985 1.00 13.21 ATOM 2120 N ASN 128 1.222 -42.886 21.312 1.00 71.32 ATOM 2121 HN ASN 128 1.538 -42.119 21.836 1.00 37.46 ATOM 2122 CA ASN 128 -0.201 -43.247 21.369 1.00 74.32 ATOM 2123 HA ASN 128 -0.329 -44.203 20.877 1.00 45.51 ATOM 2124 CB ASN 128 -0.679 -43.358 22.823 1.00 74.12 ATOM 2125 HB1 ASN 128 -1.704 -43.705 22.831 1.00 37.46 ATOM 2126 HB2 ASN 128 -0.639 -42.382 23.283 1.00 35.51 ATOM 2127 CG ASN 128 0.153 -44.313 23.655 1.00 25.21 ATOM 2128 OD1 ASN 128 -0.125 -45.506 23.725 1.00 54.55 ATOM 2129 ND2 ASN 128 1.177 -43.795 24.297 1.00 2.24 ATOM 2130 HD21 ASN 128 1.348 -42.838 24.202 1.00 13.20 ATOM 2131 HD22 ASN 128 1.719 -44.384 24.851 1.00 0.30 ATOM 2132 C ASN 128 -1.056 -42.190 20.646 1.00 12.25 ATOM 2133 O ASN 128 -0.707 -41.006 20.632 1.00 41.20 ATOM 2134 N PRO 129 -2.194 -42.595 20.049 1.00 33.54 ATOM 2135 CA PRO 129 -3.106 -41.658 19.364 1.00 11.15 ATOM 2136 HA PRO 129 -2.579 -41.071 18.624 1.00 51.21 ATOM 2137 CB PRO 129 -4.109 -42.585 18.663 1.00 72.13 ATOM 2138 HB1 PRO 129 -3.792 -42.758 17.644 1.00 37.46 ATOM 2139 HB2 PRO 129 -5.092 -42.132 18.665 1.00 72.45 ATOM 2140 CG PRO 129 -4.084 -43.845 19.462 1.00 33.13 ATOM 2141 HG1 PRO 129 -4.341 -44.685 18.832 1.00 37.46 ATOM 2142 HG2 PRO 129 -4.779 -43.770 20.286 1.00 64.53 ATOM 2143 CD PRO 129 -2.675 -43.988 19.979 1.00 30.35 ATOM 2144 HD1 PRO 129 -2.075 -44.568 19.292 1.00 37.46 ATOM 2145 HD2 PRO 129 -2.674 -44.445 20.960 1.00 73.23 ATOM 2146 C PRO 129 -3.824 -40.706 20.340 1.00 13.40 ATOM 2147 O PRO 129 -4.346 -39.663 19.940 1.00 51.11 ATOM 2148 N ASN 130 -3.847 -41.072 21.620 1.00 73.33 ATOM 2149 HN ASN 130 -3.454 -41.933 21.873 1.00 37.46 ATOM 2150 CA ASN 130 -4.450 -40.230 22.659 1.00 54.33 ATOM 2151 HA ASN 130 -5.352 -39.799 22.245 1.00 63.14 ATOM 2152 CB ASN 130 -4.832 -41.084 23.873 1.00 2.54 ATOM 2153 HB1 ASN 130 -5.124 -40.437 24.690 1.00 37.46 ATOM 2154 HB2 ASN 130 -3.980 -41.675 24.176 1.00 13.11 ATOM 2155 CG ASN 130 -5.985 -42.022 23.568 1.00 73.11 ATOM 2156 OD1 ASN 130 -6.870 -41.696 22.785 1.00 32.31 ATOM 2157 ND2 ASN 130 -5.984 -43.191 24.170 1.00 11.40 ATOM 2158 HD21 ASN 130 -5.250 -43.398 24.784 1.00 33.53 ATOM 2159 HD22 ASN 130 -6.720 -43.806 23.978 1.00 63.51 ATOM 2160 C ASN 130 -3.510 -39.084 23.071 1.00 34.53 ATOM 2161 O ASN 130 -3.860 -37.911 22.930 1.00 14.32 ATOM 2162 N GLU 131 -2.315 -39.421 23.566 1.00 4.14 ATOM 2163 HN GLU 131 -2.098 -40.372 23.697 1.00 37.46 ATOM 2164 CA GLU 131 -1.320 -38.404 23.938 1.00 54.34 ATOM 2165 HA GLU 131 -1.755 -37.795 24.718 1.00 73.34 ATOM 2166 CB GLU 131 -0.047 -39.066 24.482 1.00 31.22 ATOM 2167 HB1 GLU 131 -0.325 -39.744 25.277 1.00 37.46 ATOM 2168 HB2 GLU 131 0.598 -38.302 24.889 1.00 34.40 ATOM 2169 CG GLU 131 0.747 -39.855 23.446 1.00 25.04 ATOM 2170 HG1 GLU 131 1.047 -39.187 22.650 1.00 37.46 ATOM 2171 HG2 GLU 131 0.111 -40.630 23.040 1.00 61.34 ATOM 2172 CD GLU 131 1.991 -40.503 24.030 1.00 24.31 ATOM 2173 OE1 GLU 131 2.506 -41.455 23.416 1.00 71.45 ATOM 2174 OE2 GLU 131 2.447 -40.074 25.111 1.00 11.12 ATOM 2175 C GLU 131 -0.983 -37.498 22.740 1.00 70.43 ATOM 2176 O GLU 131 -0.697 -36.309 22.902 1.00 62.23 ATOM 2177 N LEU 132 -1.021 -38.081 21.538 1.00 11.55 ATOM 2178 HN LEU 132 -1.172 -39.049 21.490 1.00 37.46 ATOM 2179 CA LEU 132 -0.827 -37.333 20.290 1.00 4.20 ATOM 2180 HA LEU 132 0.199 -36.997 20.260 1.00 41.23 ATOM 2181 CB LEU 132 -1.085 -38.260 19.090 1.00 12.32 ATOM 2182 HB1 LEU 132 -2.099 -38.625 19.158 1.00 37.46 ATOM 2183 HB2 LEU 132 -0.414 -39.105 19.169 1.00 60.41 ATOM 2184 CG LEU 132 -0.897 -37.628 17.701 1.00 3.30 ATOM 2185 HG LEU 132 -1.557 -36.777 17.608 1.00 0.31 ATOM 2186 CD1 LEU 132 0.531 -37.127 17.524 1.00 33.31 ATOM 2187 HD11 LEU 132 1.222 -37.951 17.641 1.00 10.54 ATOM 2188 HD12 LEU 132 0.743 -36.373 18.267 1.00 21.32 ATOM 2189 HD13 LEU 132 0.644 -36.701 16.538 1.00 52.11 ATOM 2190 CD2 LEU 132 -1.263 -38.625 16.603 1.00 60.35 ATOM 2191 HD21 LEU 132 -2.295 -38.924 16.717 1.00 1.03 ATOM 2192 HD22 LEU 132 -0.627 -39.496 16.676 1.00 21.21 ATOM 2193 HD23 LEU 132 -1.129 -38.163 15.635 1.00 14.43 ATOM 2194 C LEU 132 -1.752 -36.108 20.220 1.00 10.11 ATOM 2195 O LEU 132 -1.330 -35.019 19.830 1.00 63.44 ATOM 2196 N GLN 133 -3.006 -36.298 20.620 1.00 70.20 ATOM 2197 HN GLN 133 -3.271 -37.187 20.942 1.00 37.46 ATOM 2198 CA GLN 133 -4.002 -35.222 20.603 1.00 33.24 ATOM 2199 HA GLN 133 -4.104 -34.884 19.582 1.00 54.30 ATOM 2200 CB GLN 133 -5.356 -35.759 21.086 1.00 53.12 ATOM 2201 HB1 GLN 133 -5.252 -36.088 22.111 1.00 37.46 ATOM 2202 HB2 GLN 133 -5.629 -36.609 20.476 1.00 54.45 ATOM 2203 CG GLN 133 -6.493 -34.744 21.024 1.00 24.03 ATOM 2204 HG1 GLN 133 -6.237 -33.898 21.646 1.00 37.46 ATOM 2205 HG2 GLN 133 -7.392 -35.206 21.403 1.00 12.41 ATOM 2206 CD GLN 133 -6.762 -34.245 19.613 1.00 54.33 ATOM 2207 OE1 GLN 133 -7.541 -34.833 18.873 1.00 23.53 ATOM 2208 NE2 GLN 133 -6.132 -33.150 19.235 1.00 4.41 ATOM 2209 HE21 GLN 133 -5.530 -32.717 19.876 1.00 71.01 ATOM 2210 HE22 GLN 133 -6.301 -32.813 18.331 1.00 55.31 ATOM 2211 C GLN 133 -3.562 -34.035 21.477 1.00 21.23 ATOM 2212 O GLN 133 -3.656 -32.875 21.061 1.00 64.53 ATOM 2213 N ALA 134 -3.078 -34.335 22.683 1.00 12.43 ATOM 2214 HN ALA 134 -3.051 -35.275 22.963 1.00 37.46 ATOM 2215 CA ALA 134 -2.586 -33.303 23.604 1.00 72.20 ATOM 2216 HA ALA 134 -3.375 -32.575 23.738 1.00 14.40 ATOM 2217 CB ALA 134 -2.277 -33.919 24.966 1.00 54.32 ATOM 2218 HB1 ALA 134 -1.504 -34.666 24.858 1.00 3.43 ATOM 2219 HB2 ALA 134 -3.169 -34.381 25.362 1.00 40.21 ATOM 2220 HB3 ALA 134 -1.941 -33.148 25.645 1.00 33.15 ATOM 2221 C ALA 134 -1.346 -32.591 23.038 1.00 10.52 ATOM 2222 O ALA 134 -1.244 -31.362 23.088 1.00 43.30 ATOM 2223 N ALA 135 -0.411 -33.372 22.492 1.00 54.15 ATOM 2224 HN ALA 135 -0.536 -34.347 22.517 1.00 37.46 ATOM 2225 CA ALA 135 0.801 -32.827 21.862 1.00 52.12 ATOM 2226 HA ALA 135 1.406 -32.369 22.633 1.00 41.41 ATOM 2227 CB ALA 135 1.607 -33.955 21.228 1.00 61.32 ATOM 2228 HB1 ALA 135 1.853 -34.693 21.979 1.00 3.32 ATOM 2229 HB2 ALA 135 2.518 -33.556 20.804 1.00 13.11 ATOM 2230 HB3 ALA 135 1.019 -34.420 20.445 1.00 65.15 ATOM 2231 C ALA 135 0.459 -31.771 20.796 1.00 13.05 ATOM 2232 O ALA 135 0.962 -30.643 20.821 1.00 23.21 ATOM 2233 N ILE 136 -0.411 -32.155 19.866 1.00 72.41 ATOM 2234 HN ILE 136 -0.777 -33.066 19.912 1.00 37.46 ATOM 2235 CA ILE 136 -0.842 -31.272 18.779 1.00 51.54 ATOM 2236 HA ILE 136 0.036 -30.969 18.223 1.00 21.12 ATOM 2237 CB ILE 136 -1.791 -32.024 17.818 1.00 34.51 ATOM 2238 HB ILE 136 -2.680 -32.302 18.369 1.00 53.20 ATOM 2239 CG1 ILE 136 -1.107 -33.295 17.297 1.00 25.13 ATOM 2240 HG11 ILE 136 -0.616 -33.797 18.118 1.00 37.46 ATOM 2241 HG12 ILE 136 -0.368 -33.022 16.558 1.00 50.51 ATOM 2242 CG2 ILE 136 -2.213 -31.127 16.653 1.00 73.31 ATOM 2243 HG21 ILE 136 -2.743 -30.266 17.032 1.00 40.32 ATOM 2244 HG22 ILE 136 -2.859 -31.681 15.987 1.00 10.42 ATOM 2245 HG23 ILE 136 -1.335 -30.800 16.111 1.00 50.42 ATOM 2246 CD1 ILE 136 -2.058 -34.278 16.656 1.00 40.14 ATOM 2247 HD11 ILE 136 -2.548 -33.815 15.812 1.00 13.45 ATOM 2248 HD12 ILE 136 -2.796 -34.586 17.380 1.00 4.51 ATOM 2249 HD13 ILE 136 -1.503 -35.142 16.322 1.00 24.31 ATOM 2250 C ILE 136 -1.554 -30.024 19.312 1.00 74.01 ATOM 2251 O ILE 136 -1.248 -28.901 18.905 1.00 23.42 ATOM 2252 N ASP 137 -2.498 -30.226 20.232 1.00 70.33 ATOM 2253 HN ASP 137 -2.675 -31.140 20.544 1.00 37.46 ATOM 2254 CA ASP 137 -3.271 -29.117 20.794 1.00 51.52 ATOM 2255 HA ASP 137 -3.755 -28.609 19.970 1.00 11.35 ATOM 2256 CB ASP 137 -4.347 -29.641 21.748 1.00 30.54 ATOM 2257 HB1 ASP 137 -3.876 -30.004 22.652 1.00 37.46 ATOM 2258 HB2 ASP 137 -4.876 -30.454 21.272 1.00 1.23 ATOM 2259 CG ASP 137 -5.356 -28.567 22.120 1.00 33.14 ATOM 2260 OD1 ASP 137 -5.972 -27.986 21.199 1.00 45.51 ATOM 2261 OD2 ASP 137 -5.555 -28.311 23.323 1.00 14.03 ATOM 2262 C ASP 137 -2.357 -28.116 21.514 1.00 42.53 ATOM 2263 O ASP 137 -2.606 -26.913 21.497 1.00 53.11 ATOM 2264 N SER 138 -1.292 -28.619 22.132 1.00 73.55 ATOM 2265 HN SER 138 -1.182 -29.594 22.175 1.00 37.46 ATOM 2266 CA SER 138 -0.287 -27.753 22.763 1.00 13.24 ATOM 2267 HA SER 138 -0.795 -27.141 23.495 1.00 52.41 ATOM 2268 CB SER 138 0.788 -28.588 23.473 1.00 40.54 ATOM 2269 HB1 SER 138 1.520 -27.928 23.916 1.00 37.46 ATOM 2270 HB2 SER 138 1.275 -29.231 22.754 1.00 33.41 ATOM 2271 OG SER 138 0.223 -29.397 24.496 1.00 23.40 ATOM 2272 HG SER 138 -0.152 -30.194 24.103 1.00 2.34 ATOM 2273 C SER 138 0.372 -26.833 21.722 1.00 3.03 ATOM 2274 O SER 138 0.544 -25.639 21.954 1.00 40.22 ATOM 2275 N ASN 139 0.717 -27.395 20.561 1.00 35.30 ATOM 2276 HN ASN 139 0.579 -28.361 20.439 1.00 37.46 ATOM 2277 CA ASN 139 1.288 -26.606 19.457 1.00 23.54 ATOM 2278 HA ASN 139 2.155 -26.083 19.839 1.00 11.21 ATOM 2279 CB ASN 139 1.730 -27.528 18.308 1.00 33.21 ATOM 2280 HB1 ASN 139 1.887 -26.931 17.419 1.00 37.46 ATOM 2281 HB2 ASN 139 0.946 -28.244 18.114 1.00 2.14 ATOM 2282 CG ASN 139 3.011 -28.300 18.596 1.00 53.03 ATOM 2283 OD1 ASN 139 3.771 -28.617 17.685 1.00 64.34 ATOM 2284 ND2 ASN 139 3.270 -28.614 19.852 1.00 53.43 ATOM 2285 HD21 ASN 139 2.639 -28.338 20.543 1.00 30.24 ATOM 2286 HD22 ASN 139 4.090 -29.117 20.038 1.00 1.21 ATOM 2287 C ASN 139 0.282 -25.565 18.924 1.00 65.35 ATOM 2288 O ASN 139 0.670 -24.486 18.471 1.00 63.42 ATOM 2289 N ARG 140 -1.007 -25.900 18.978 1.00 64.44 ATOM 2290 HN ARG 140 -1.255 -26.764 19.370 1.00 37.46 ATOM 2291 CA ARG 140 -2.065 -25.014 18.469 1.00 71.34 ATOM 2292 HA ARG 140 -1.716 -24.582 17.541 1.00 52.33 ATOM 2293 CB ARG 140 -3.349 -25.816 18.191 1.00 51.13 ATOM 2294 HB1 ARG 140 -4.094 -25.147 17.780 1.00 37.46 ATOM 2295 HB2 ARG 140 -3.717 -26.217 19.125 1.00 42.32 ATOM 2296 CG ARG 140 -3.159 -26.976 17.219 1.00 54.31 ATOM 2297 HG1 ARG 140 -2.509 -27.709 17.675 1.00 37.46 ATOM 2298 HG2 ARG 140 -2.700 -26.603 16.313 1.00 13.34 ATOM 2299 CD ARG 140 -4.484 -27.646 16.857 1.00 14.10 ATOM 2300 HD1 ARG 140 -4.281 -28.457 16.171 1.00 37.46 ATOM 2301 HD2 ARG 140 -5.116 -26.918 16.368 1.00 31.34 ATOM 2302 NE ARG 140 -5.198 -28.176 18.021 1.00 24.02 ATOM 2303 HE ARG 140 -4.986 -27.800 18.898 1.00 1.45 ATOM 2304 CZ ARG 140 -6.116 -29.106 17.954 1.00 44.14 ATOM 2305 NH1 ARG 140 -6.439 -29.635 16.817 1.00 33.42 ATOM 2306 HH11 ARG 140 -5.990 -29.333 15.977 1.00 15.13 ATOM 2307 HH12 ARG 140 -7.141 -30.344 16.781 1.00 42.33 ATOM 2308 NH2 ARG 140 -6.714 -29.498 19.029 1.00 42.32 ATOM 2309 HH21 ARG 140 -6.475 -29.086 19.907 1.00 72.14 ATOM 2310 HH22 ARG 140 -7.412 -30.208 18.982 1.00 43.55 ATOM 2311 C ARG 140 -2.379 -23.876 19.454 1.00 63.32 ATOM 2312 O ARG 140 -2.382 -22.698 19.084 1.00 72.43 ATOM 2313 N ARG 141 -2.637 -24.244 20.707 1.00 72.03 ATOM 2314 HN ARG 141 -2.542 -25.187 20.949 1.00 37.46 ATOM 2315 CA ARG 141 -3.063 -23.293 21.740 1.00 2.13 ATOM 2316 HA ARG 141 -3.926 -22.764 21.360 1.00 54.35 ATOM 2317 CB ARG 141 -3.476 -24.058 23.007 1.00 54.21 ATOM 2318 HB1 ARG 141 -2.593 -24.495 23.454 1.00 37.46 ATOM 2319 HB2 ARG 141 -4.154 -24.852 22.728 1.00 4.04 ATOM 2320 CG ARG 141 -4.165 -23.194 24.059 1.00 11.45 ATOM 2321 HG1 ARG 141 -5.048 -22.747 23.621 1.00 37.46 ATOM 2322 HG2 ARG 141 -3.487 -22.414 24.373 1.00 31.01 ATOM 2323 CD ARG 141 -4.576 -24.010 25.278 1.00 2.54 ATOM 2324 HD1 ARG 141 -3.686 -24.417 25.738 1.00 37.46 ATOM 2325 HD2 ARG 141 -5.214 -24.820 24.955 1.00 22.45 ATOM 2326 NE ARG 141 -5.293 -23.207 26.262 1.00 53.54 ATOM 2327 HE ARG 141 -5.598 -22.319 25.987 1.00 53.24 ATOM 2328 CZ ARG 141 -5.573 -23.607 27.470 1.00 14.14 ATOM 2329 NH1 ARG 141 -5.155 -24.756 27.902 1.00 44.53 ATOM 2330 HH11 ARG 141 -4.607 -25.343 27.308 1.00 5.02 ATOM 2331 HH12 ARG 141 -5.388 -25.058 28.825 1.00 52.52 ATOM 2332 NH2 ARG 141 -6.256 -22.841 28.253 1.00 3.54 ATOM 2333 HH21 ARG 141 -6.563 -21.948 27.927 1.00 12.34 ATOM 2334 HH22 ARG 141 -6.476 -23.142 29.176 1.00 1.35 ATOM 2335 C ARG 141 -1.967 -22.267 22.069 1.00 14.45 ATOM 2336 O ARG 141 -2.261 -21.126 22.430 1.00 23.11 ATOM 2337 N GLU 142 -0.704 -22.671 21.937 1.00 11.35 ATOM 2338 HN GLU 142 -0.525 -23.600 21.677 1.00 37.46 ATOM 2339 CA GLU 142 0.427 -21.764 22.185 1.00 14.34 ATOM 2340 HA GLU 142 0.222 -21.243 23.109 1.00 44.20 ATOM 2341 CB GLU 142 1.729 -22.557 22.355 1.00 44.13 ATOM 2342 HB1 GLU 142 2.563 -21.868 22.335 1.00 37.46 ATOM 2343 HB2 GLU 142 1.827 -23.248 21.529 1.00 21.22 ATOM 2344 CG GLU 142 1.797 -23.352 23.658 1.00 14.52 ATOM 2345 HG1 GLU 142 0.988 -24.069 23.665 1.00 37.46 ATOM 2346 HG2 GLU 142 1.675 -22.668 24.485 1.00 33.05 ATOM 2347 CD GLU 142 3.110 -24.098 23.843 1.00 44.22 ATOM 2348 OE1 GLU 142 4.128 -23.693 23.238 1.00 14.03 ATOM 2349 OE2 GLU 142 3.141 -25.080 24.615 1.00 12.22 ATOM 2350 C GLU 142 0.587 -20.714 21.070 1.00 75.33 ATOM 2351 O GLU 142 1.500 -19.888 21.117 1.00 41.53 ATOM 2352 N GLY 143 -0.296 -20.748 20.071 1.00 54.54 ATOM 2353 HN GLY 143 -0.946 -21.479 20.035 1.00 37.46 ATOM 2354 CA GLY 143 -0.307 -19.716 19.036 1.00 51.34 ATOM 2355 HA1 GLY 143 -0.916 -20.057 18.212 1.00 37.46 ATOM 2356 HA2 GLY 143 0.703 -19.557 18.683 1.00 13.40 ATOM 2357 C GLY 143 -0.867 -18.391 19.550 1.00 53.41 ATOM 2358 O GLY 143 -1.925 -17.933 19.110 1.00 5.22 ATOM 2359 N ARG 144 -0.153 -17.779 20.492 1.00 55.40 ATOM 2360 HN ARG 144 0.713 -18.164 20.750 1.00 37.46 ATOM 2361 CA ARG 144 -0.609 -16.556 21.159 1.00 15.14 ATOM 2362 HA ARG 144 -1.685 -16.508 21.060 1.00 52.31 ATOM 2363 CB ARG 144 -0.261 -16.623 22.651 1.00 34.31 ATOM 2364 HB1 ARG 144 -0.334 -15.631 23.075 1.00 37.46 ATOM 2365 HB2 ARG 144 0.758 -16.971 22.754 1.00 21.34 ATOM 2366 CG ARG 144 -1.164 -17.552 23.457 1.00 61.03 ATOM 2367 HG1 ARG 144 -0.806 -17.590 24.476 1.00 37.46 ATOM 2368 HG2 ARG 144 -1.128 -18.543 23.025 1.00 44.34 ATOM 2369 CD ARG 144 -2.608 -17.064 23.456 1.00 12.12 ATOM 2370 HD1 ARG 144 -3.179 -17.666 24.149 1.00 37.46 ATOM 2371 HD2 ARG 144 -3.015 -17.179 22.461 1.00 61.23 ATOM 2372 NE ARG 144 -2.705 -15.659 23.855 1.00 34.52 ATOM 2373 HE ARG 144 -2.057 -15.331 24.511 1.00 71.21 ATOM 2374 CZ ARG 144 -3.584 -14.816 23.389 1.00 51.54 ATOM 2375 NH1 ARG 144 -4.476 -15.199 22.530 1.00 42.31 ATOM 2376 HH11 ARG 144 -4.494 -16.145 22.224 1.00 74.31 ATOM 2377 HH12 ARG 144 -5.145 -14.544 22.178 1.00 63.02 ATOM 2378 NH2 ARG 144 -3.562 -13.586 23.785 1.00 40.25 ATOM 2379 HH21 ARG 144 -2.872 -13.288 24.444 1.00 14.40 ATOM 2380 HH22 ARG 144 -4.235 -12.936 23.436 1.00 3.51 ATOM 2381 C ARG 144 -0.012 -15.283 20.546 1.00 51.14 ATOM 2382 O ARG 144 1.025 -15.316 19.875 1.00 42.42 ATOM 2383 N ARG 145 -0.674 -14.156 20.809 1.00 53.13 ATOM 2384 HN ARG 145 -1.478 -14.202 21.365 1.00 37.46 ATOM 2385 HA ARG 145 0.802 -12.937 20.033 1.00 22.33 ATOM 2386 CB ARG 145 -1.038 -12.485 19.032 1.00 55.54 ATOM 2387 HB1 ARG 145 -0.622 -13.027 18.195 1.00 37.46 ATOM 2388 HB2 ARG 145 -0.931 -11.425 18.847 1.00 64.32 ATOM 2389 CG ARG 145 -2.529 -12.807 19.115 1.00 22.41 ATOM 2390 HG1 ARG 145 -2.951 -12.293 19.967 1.00 37.46 ATOM 2391 HG2 ARG 145 -2.650 -13.873 19.243 1.00 41.54 ATOM 2392 CD ARG 145 -3.273 -12.374 17.857 1.00 31.04 ATOM 2393 HD1 ARG 145 -4.291 -12.734 17.917 1.00 37.46 ATOM 2394 HD2 ARG 145 -2.789 -12.815 16.996 1.00 45.11 ATOM 2395 NE ARG 145 -3.292 -10.920 17.704 1.00 72.12 ATOM 2396 HE ARG 145 -3.237 -10.380 18.518 1.00 64.32 ATOM 2397 CZ ARG 145 -3.409 -10.299 16.561 1.00 23.25 ATOM 2398 NH1 ARG 145 -3.418 -10.958 15.448 1.00 42.45 ATOM 2399 HH11 ARG 145 -3.330 -11.950 15.452 1.00 75.01 ATOM 2400 HH12 ARG 145 -3.512 -10.467 14.586 1.00 2.21 ATOM 2401 NH2 ARG 145 -3.488 -9.009 16.534 1.00 10.20 ATOM 2402 HH21 ARG 145 -3.458 -8.490 17.382 1.00 2.43 ATOM 2403 HH22 ARG 145 -3.578 -8.534 15.657 1.00 2.14 ATOM 2404 CA ARG 145 -0.243 -12.849 20.300 1.00 25.32 ATOM 2405 C ARG 145 -0.370 -11.748 21.375 1.00 74.41 ATOM 2406 OT1 ARG 145 0.674 -11.348 21.939 1.00 37.46 ATOM 2407 OT2 ARG 145 -1.506 -11.301 21.663 1.00 37.46 ATOM 2408 OH2 TIP3 1 -3.521 -47.577 -10.380 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.824 -47.093 -9.574 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.801 -47.002 -10.745 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -0.472 -50.124 -21.480 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -0.009 -50.155 -20.605 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -0.490 -51.041 -21.769 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -2.413 -51.187 -9.516 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -2.909 -50.504 -9.019 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -2.319 -51.923 -8.877 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -4.975 -48.936 -16.969 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -4.465 -48.108 -16.840 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -5.781 -48.801 -16.434 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -2.425 -49.605 -11.853 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -2.411 -50.363 -11.235 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -2.842 -48.883 -11.332 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -3.545 -54.301 0.768 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -3.468 -53.674 0.021 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -3.244 -53.798 1.531 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -7.918 -52.940 -1.620 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -7.904 -53.679 -2.269 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.443 -53.300 -0.846 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -2.161 -63.673 3.433 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -1.553 -63.251 2.821 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -1.785 -63.482 4.315 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -8.182 -55.299 -3.002 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -9.079 -55.506 -2.662 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -7.610 -55.976 -2.590 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -2.327 -54.536 -2.465 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -3.154 -54.945 -2.817 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -2.619 -53.676 -2.118 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -1.673 -58.979 5.964 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -2.098 -59.865 5.903 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -2.317 -58.447 6.478 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.038 -53.294 1.678 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -9.726 -52.972 2.550 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -10.244 -52.474 1.180 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -4.720 -55.557 -3.289 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -5.212 -56.134 -2.666 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -5.387 -55.275 -3.923 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -9.016 -55.399 4.307 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -9.094 -54.422 4.355 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -9.940 -55.713 4.371 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.834 -50.271 -1.816 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.168 -49.779 -2.352 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -8.487 -51.193 -1.794 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -14.702 -52.886 6.589 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -13.823 -53.245 6.347 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -15.292 -53.239 5.920 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 0.771 -52.296 -7.302 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 0.569 -51.372 -7.020 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 0.819 -52.238 -8.278 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -9.910 -53.532 7.303 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -9.866 -53.126 8.191 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -8.983 -53.564 7.010 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -6.122 -51.338 -4.814 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -5.442 -51.474 -5.519 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -6.776 -52.021 -4.987 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -1.913 -53.026 -7.467 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -1.025 -52.692 -7.226 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -1.772 -53.982 -7.624 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 0.291 -54.317 -3.535 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 0.708 -54.939 -2.904 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -0.656 -54.316 -3.279 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -4.903 -62.806 7.193 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -5.071 -63.723 6.877 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -5.255 -62.797 8.086 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -5.328 -65.324 6.256 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -5.172 -64.981 5.343 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -5.577 -66.241 6.123 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -6.067 -59.640 2.626 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -6.868 -59.222 3.006 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -6.088 -59.387 1.681 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -10.623 -55.881 1.341 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -10.458 -54.907 1.400 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -9.763 -56.275 1.525 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -0.862 -55.621 -7.704 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -1.016 -56.542 -7.476 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -0.080 -55.365 -7.160 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -6.417 -56.828 -1.566 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -6.329 -57.636 -1.023 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -6.417 -56.097 -0.910 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -6.261 -54.710 0.186 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -5.296 -54.673 0.354 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -6.638 -55.057 1.029 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -10.514 -55.658 -1.550 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -10.837 -54.745 -1.690 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -10.684 -55.829 -0.608 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -0.154 -49.784 -6.886 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -0.204 -49.055 -7.533 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -0.263 -49.348 -6.023 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -10.719 -52.924 -1.898 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -10.916 -52.382 -1.113 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -9.745 -52.955 -1.925 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -4.812 -64.274 3.823 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -5.229 -63.453 3.543 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.863 -64.152 3.593 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -5.893 -59.123 -0.102 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -6.161 -59.871 -0.645 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -4.938 -58.988 -0.332 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -14.002 -50.538 7.831 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -13.925 -50.853 8.754 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -14.377 -51.306 7.348 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -10.787 -58.391 3.153 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -11.166 -58.297 2.272 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -11.220 -57.688 3.675 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -8.144 -58.157 3.711 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -9.056 -58.470 3.511 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.280 -57.415 4.323 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -3.699 -57.721 7.255 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -3.520 -56.768 7.433 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -4.647 -57.755 7.079 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -7.131 -55.891 2.450 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -7.161 -56.848 2.617 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -7.747 -55.517 3.115 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -1.460 -60.958 -0.519 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -1.693 -61.821 -0.874 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -0.472 -60.984 -0.451 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 1.044 -59.567 5.871 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 0.110 -59.291 5.939 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 1.077 -60.413 6.358 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -3.340 -58.949 -0.947 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -2.746 -58.215 -1.192 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -2.737 -59.706 -0.802 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -3.576 -59.688 3.707 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -4.476 -59.760 3.310 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -3.563 -60.383 4.398 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -9.425 -52.670 4.289 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -8.807 -52.588 5.037 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -10.176 -52.080 4.533 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -11.516 -51.049 4.891 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -11.753 -50.553 4.073 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -11.597 -50.380 5.608 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -10.293 -47.913 0.202 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -10.091 -46.951 0.283 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -9.759 -48.205 -0.546 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -11.963 -49.649 2.586 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -12.629 -49.761 1.882 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -11.146 -49.460 2.107 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -4.306 -51.752 -6.777 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -3.467 -52.237 -6.927 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -4.201 -50.925 -7.290 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -1.202 -47.413 -1.530 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -1.541 -46.972 -2.344 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -0.636 -48.115 -1.866 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -3.138 -56.960 15.320 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -3.724 -56.751 16.077 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -2.916 -56.080 14.939 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -7.492 -53.916 14.635 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -7.029 -53.399 13.970 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -6.819 -54.059 15.338 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -9.998 -54.710 13.884 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -9.845 -55.659 13.875 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -9.153 -54.334 14.223 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -2.051 -54.794 18.360 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -2.520 -53.980 18.084 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -1.250 -54.811 17.781 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -2.525 -54.478 14.398 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -2.549 -53.896 15.171 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -1.644 -54.307 13.998 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -3.239 -57.664 12.667 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -3.430 -57.423 13.596 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -2.561 -58.362 12.740 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -1.937 -55.705 20.875 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -2.132 -56.655 20.721 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -1.952 -55.311 19.971 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -5.354 -54.077 16.376 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -5.128 -54.893 16.863 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -4.672 -53.437 16.654 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -9.658 -52.391 9.888 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -9.615 -51.445 10.091 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -10.234 -52.760 10.593 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -8.146 -48.567 10.423 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -8.856 -48.956 10.981 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -8.425 -48.773 9.507 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -2.955 -55.211 7.907 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -3.487 -54.428 8.126 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -2.656 -55.544 8.777 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.005 -45.985 22.123 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -4.258 -45.694 22.690 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -5.102 -46.933 22.331 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -11.287 -53.622 11.793 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -11.232 -54.402 11.191 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -10.835 -53.930 12.617 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -1.523 -58.361 17.134 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -0.590 -58.135 16.942 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -2.029 -57.913 16.427 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -4.537 -53.976 9.844 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -4.157 -54.833 10.105 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -4.178 -53.351 10.504 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -13.007 -51.911 13.064 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -12.320 -52.493 12.665 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -13.461 -52.480 13.694 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -8.120 -54.756 9.827 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -7.168 -54.610 9.764 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -8.501 -53.858 9.836 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -2.754 -56.106 10.529 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -3.143 -56.586 11.303 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -1.825 -55.931 10.804 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -12.153 -53.620 5.698 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -11.417 -53.723 6.346 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -12.018 -52.718 5.331 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -10.655 -55.756 10.234 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -9.708 -55.544 10.076 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -10.876 -56.382 9.539 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -10.182 -49.656 11.741 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -11.029 -49.337 11.370 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -10.234 -49.421 12.690 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -13.322 -51.437 10.348 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -13.423 -51.504 11.320 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -12.882 -52.261 10.101 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -0.248 -54.214 16.450 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -0.425 -53.275 16.278 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 0.371 -54.474 15.733 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -11.695 -55.909 4.104 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -11.678 -55.562 3.194 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -11.995 -55.147 4.648 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -2.199 -58.612 9.418 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -2.730 -58.543 8.604 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -2.420 -57.804 9.914 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -4.080 -54.524 22.281 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -3.515 -54.035 22.881 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -3.463 -55.047 21.744 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -0.226 -55.866 11.565 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -0.294 -55.000 12.018 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -0.060 -56.499 12.289 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -1.107 -59.281 13.395 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -0.499 -58.528 13.568 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -1.228 -59.689 14.260 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 4.803 -55.341 14.356 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 4.319 -55.888 15.002 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 4.647 -54.432 14.663 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -4.250 -56.289 17.734 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -4.361 -57.006 18.372 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -3.441 -55.822 18.038 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -0.755 -60.393 10.900 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -0.922 -60.043 11.800 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -1.295 -59.814 10.314 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -3.120 -61.308 5.837 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.400 -61.973 5.851 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -3.857 -61.746 6.327 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -7.844 -50.719 21.747 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -7.421 -51.469 22.181 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -7.878 -50.970 20.819 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -3.120 -52.528 17.201 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -2.508 -52.120 16.557 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -2.915 -52.073 18.051 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -3.131 -47.660 -13.838 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -2.316 -47.199 -13.526 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -3.107 -48.518 -13.372 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -6.261 -45.931 -17.289 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.766 -46.559 -16.731 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.328 -46.071 -17.016 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -7.672 -48.448 -20.524 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -6.948 -49.003 -20.146 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -8.206 -49.068 -21.024 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -1.364 -38.344 -16.935 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -2.185 -37.845 -17.024 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -1.382 -38.966 -17.685 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -3.787 -46.568 -16.308 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -3.000 -46.059 -16.577 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -3.555 -46.921 -15.419 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -4.340 -44.327 -12.224 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -4.392 -43.385 -12.030 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -3.498 -44.425 -12.717 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.003 -43.301 -15.737 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -3.465 -43.641 -14.990 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.838 -43.788 -15.669 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -10.633 -41.046 -15.546 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -11.341 -40.425 -15.741 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -9.882 -40.489 -15.314 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.245 -43.407 -16.720 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -6.976 -44.309 -16.988 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -8.209 -43.489 -16.540 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -6.085 -38.542 -17.298 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -6.040 -39.470 -16.982 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -6.550 -38.068 -16.588 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -3.999 -37.624 -18.684 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -4.727 -38.039 -18.153 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -4.446 -37.284 -19.468 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -1.067 -42.965 -24.676 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -0.356 -43.084 -24.023 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -1.651 -42.290 -24.269 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -5.608 -41.235 -16.801 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -6.335 -41.902 -16.816 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -4.889 -41.684 -16.313 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -2.410 -33.832 -17.879 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -1.993 -34.444 -18.493 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -1.651 -33.390 -17.430 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -7.015 -47.775 -15.374 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -6.525 -47.332 -14.635 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -7.849 -48.041 -14.975 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -9.947 -43.601 -16.212 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -10.188 -42.679 -15.972 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -10.761 -44.095 -16.096 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -6.095 -46.285 -19.999 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -6.267 -46.105 -19.048 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -6.717 -47.021 -20.219 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -3.616 -28.432 -19.030 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -3.972 -28.466 -19.920 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -3.498 -29.377 -18.782 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -8.368 -35.537 -9.755 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -7.514 -35.940 -10.027 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -8.628 -36.042 -8.964 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -6.748 -36.368 -13.149 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -6.759 -36.374 -14.127 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -7.269 -35.570 -12.910 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -5.572 -39.320 -9.230 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -5.271 -40.141 -8.789 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -4.778 -38.771 -9.266 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -5.511 -44.701 -9.780 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -4.934 -45.254 -9.207 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -5.086 -44.737 -10.658 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -6.082 -36.824 -10.545 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -6.071 -37.791 -10.435 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -6.170 -36.692 -11.521 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -5.629 -46.554 -13.393 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -4.764 -47.008 -13.451 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -5.438 -45.749 -12.878 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -3.273 -31.038 -18.217 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -2.765 -30.783 -17.422 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -3.187 -32.005 -18.253 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 0.268 -43.724 -22.240 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 0.824 -43.754 -21.435 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -0.643 -43.621 -21.896 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 0.343 -39.576 -20.764 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 0.029 -40.055 -21.539 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -0.455 -39.485 -20.202 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 0.889 -36.959 -16.153 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 1.502 -37.606 -15.764 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 0.080 -37.481 -16.350 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -4.161 -41.377 -19.182 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -4.639 -42.102 -19.598 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -4.684 -41.177 -18.377 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -2.336 -43.741 -21.281 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -2.767 -44.427 -21.842 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -2.434 -44.075 -20.381 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -1.841 -44.638 -17.048 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -1.148 -44.476 -16.394 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -2.559 -44.020 -16.796 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -2.177 -44.264 -13.928 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -1.691 -45.081 -13.664 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -1.471 -43.586 -14.023 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 0.063 -47.766 -8.871 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 0.530 -46.976 -8.524 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -0.660 -47.396 -9.411 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -5.993 -44.470 -22.028 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -6.875 -44.089 -22.043 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -6.026 -45.123 -21.291 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -8.197 -34.243 -12.199 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -8.654 -33.399 -12.176 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -8.347 -34.623 -11.310 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -1.089 -38.044 -12.846 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -1.380 -37.298 -12.283 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -1.707 -38.042 -13.582 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -2.455 -49.937 -17.633 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -3.348 -49.791 -17.268 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -2.588 -49.914 -18.605 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -6.971 -36.065 -15.894 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -7.563 -35.384 -16.226 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -6.088 -35.813 -16.257 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -4.622 -35.364 -17.071 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -3.942 -34.676 -17.213 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -4.272 -36.142 -17.533 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -5.584 -49.801 -19.513 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -5.404 -49.572 -18.577 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -4.696 -49.892 -19.910 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -3.380 -46.814 -20.426 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -3.374 -46.511 -21.364 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -4.317 -46.709 -20.150 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -4.041 -49.340 -8.211 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -4.059 -48.568 -7.618 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -4.184 -48.957 -9.096 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -14.261 -41.986 0.258 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -13.869 -41.710 -0.603 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -15.192 -42.142 0.055 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -4.059 -33.402 -0.678 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -4.945 -33.117 -0.383 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -4.195 -33.686 -1.601 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -13.060 -47.355 -2.693 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -12.422 -48.088 -2.819 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -13.090 -47.227 -1.725 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -12.076 -43.054 -3.865 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -11.204 -43.507 -3.936 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -12.732 -43.792 -3.900 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -12.564 -40.552 1.872 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -13.244 -41.092 1.408 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -13.074 -39.897 2.360 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -13.084 -49.689 0.026 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -13.343 -49.896 -0.880 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -13.187 -48.714 0.087 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -8.455 -39.953 -4.833 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -9.100 -40.574 -5.229 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -7.917 -39.658 -5.594 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -6.868 -45.800 -7.683 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -6.751 -45.343 -8.540 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -5.970 -46.134 -7.473 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.863 -41.538 -6.592 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.082 -42.139 -6.553 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -10.365 -41.854 -7.375 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -11.514 -39.057 -3.604 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -11.736 -39.495 -2.773 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -11.845 -39.668 -4.292 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -12.980 -41.237 -2.032 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -12.601 -41.956 -2.594 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -13.666 -40.824 -2.609 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -5.621 -38.224 1.515 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -5.476 -39.125 1.166 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -6.464 -37.944 1.108 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -5.068 -43.450 -6.161 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -4.651 -43.085 -6.949 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -4.623 -44.316 -6.032 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -2.016 -46.145 -3.799 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -1.879 -45.195 -3.641 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -2.595 -46.175 -4.595 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -12.341 -40.874 -5.512 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -11.486 -40.971 -5.987 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -12.420 -41.714 -5.002 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -3.545 -34.126 1.927 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -3.769 -33.241 2.282 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -3.630 -34.016 0.952 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -5.715 -31.245 -2.404 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -6.475 -31.854 -2.415 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -5.893 -30.663 -1.652 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -3.282 -35.218 -5.622 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -3.456 -34.568 -6.346 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -2.816 -35.938 -6.059 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -12.935 -46.961 0.033 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -11.999 -47.186 0.220 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -12.997 -46.004 0.236 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -4.064 -40.578 -7.269 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -4.253 -39.683 -6.920 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -3.536 -40.996 -6.562 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -5.730 -46.688 -4.292 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -4.989 -46.581 -4.932 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -5.710 -45.863 -3.768 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -12.785 -44.278 0.767 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -12.862 -44.269 1.744 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -13.296 -43.496 0.481 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -13.872 -45.081 -3.901 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -14.727 -45.363 -4.232 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -13.492 -45.896 -3.493 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -4.898 -42.336 2.285 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -5.149 -42.790 3.118 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -4.631 -43.067 1.687 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -6.796 -49.152 -3.285 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -6.410 -48.314 -3.620 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -6.527 -49.823 -3.953 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -10.666 -44.809 -6.966 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -10.151 -45.608 -7.129 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -10.515 -44.618 -6.019 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -5.490 -40.690 0.191 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.455 -40.839 0.180 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -5.171 -41.249 0.942 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -12.876 -38.939 -7.976 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -12.752 -39.314 -7.093 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -12.861 -39.702 -8.562 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -7.927 -37.464 0.065 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -7.742 -36.604 0.517 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -8.580 -37.238 -0.609 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -14.665 -40.352 -3.972 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -14.006 -40.447 -4.686 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -15.468 -40.077 -4.426 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -9.296 -36.821 -7.377 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -10.189 -36.596 -7.723 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -9.467 -37.081 -6.441 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -15.347 -42.583 10.011 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -16.259 -42.858 10.153 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -15.384 -42.036 9.219 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -11.929 -36.274 -7.828 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -12.407 -37.071 -8.139 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -11.872 -35.695 -8.624 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -7.311 -35.077 1.367 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -6.967 -34.189 1.126 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -7.148 -35.140 2.323 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -10.133 -33.008 -6.027 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -10.754 -33.734 -5.817 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -9.458 -33.064 -5.327 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -8.217 -40.309 -0.295 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -8.130 -39.367 -0.045 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -9.192 -40.431 -0.418 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -5.141 -36.026 -8.036 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -4.697 -35.139 -8.032 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -5.334 -36.193 -8.984 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -4.816 -38.135 -6.262 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -4.746 -37.322 -6.800 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -5.754 -38.398 -6.352 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -7.126 -35.595 -6.237 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -7.931 -35.886 -6.715 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -6.392 -35.789 -6.867 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -4.717 -34.521 -3.428 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -5.128 -33.727 -3.806 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -4.076 -34.807 -4.120 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -7.793 -43.356 -6.340 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.851 -43.161 -6.133 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.750 -44.186 -6.848 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -11.435 -49.609 -2.762 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -10.502 -49.728 -2.497 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -11.663 -50.438 -3.199 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -9.979 -32.037 -8.563 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -9.360 -31.311 -8.465 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -10.127 -32.354 -7.642 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -10.936 -34.408 -9.582 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -10.775 -33.479 -9.311 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -10.049 -34.750 -9.788 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -6.779 -36.630 6.041 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -6.628 -37.518 6.410 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -7.587 -36.325 6.488 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -7.333 -38.774 -7.104 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.073 -38.213 -7.408 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -6.912 -39.085 -7.933 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -11.565 -42.698 -8.393 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -12.210 -43.047 -9.011 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -11.254 -43.494 -7.896 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -10.834 -42.460 2.966 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -11.535 -43.118 3.150 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -11.322 -41.680 2.633 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -10.341 -42.253 7.800 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -10.221 -42.622 6.896 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -10.884 -42.928 8.261 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.905 -42.863 1.033 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -8.625 -41.979 0.756 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -9.463 -42.701 1.825 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -9.665 -44.320 -4.406 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -9.341 -45.242 -4.478 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -8.970 -43.792 -4.846 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -10.910 -40.398 -0.377 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -11.352 -40.368 0.496 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -11.595 -40.753 -0.978 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -13.253 -44.340 6.239 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -13.790 -44.807 6.885 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -12.444 -44.111 6.728 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.187 -45.210 0.351 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -11.089 -44.829 0.349 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -9.610 -44.449 0.577 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -12.514 -48.748 10.574 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -12.905 -49.580 10.238 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -12.874 -48.667 11.486 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -5.826 -34.894 4.143 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -5.774 -34.035 4.582 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -6.220 -35.489 4.824 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -3.668 -31.775 5.171 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -4.188 -31.634 5.996 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -3.054 -31.020 5.145 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -6.258 -32.570 0.915 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -6.657 -31.753 0.554 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -5.621 -32.244 1.591 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -1.165 -35.157 2.611 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -0.452 -34.635 2.180 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -1.985 -34.682 2.360 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 0.345 -33.230 1.270 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 0.957 -32.521 1.484 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -0.428 -32.766 0.868 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -11.754 -35.154 -5.387 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -11.857 -35.560 -6.283 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -12.656 -34.955 -5.114 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.954 -37.170 -4.766 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -10.479 -37.885 -4.329 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -10.566 -36.404 -4.786 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -10.677 -51.099 0.158 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -10.035 -50.597 -0.380 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -11.489 -50.551 0.136 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.288 -46.452 -5.470 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.916 -46.332 -6.370 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -7.506 -46.629 -4.915 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -8.058 -33.710 -4.329 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -8.029 -34.557 -4.807 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -7.336 -33.183 -4.740 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -11.961 -49.114 6.771 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -12.349 -48.243 6.680 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -12.673 -49.652 7.194 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -11.637 -42.639 18.340 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -11.838 -41.893 17.742 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -11.226 -42.214 19.123 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -7.021 -39.262 20.032 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -7.334 -40.185 19.906 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -6.050 -39.324 19.924 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.656 -37.304 18.867 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -8.033 -37.965 19.242 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -8.188 -36.452 18.968 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.876 -38.819 11.028 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -11.229 -37.939 11.266 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.710 -39.244 11.874 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.504 -38.721 21.112 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -10.764 -38.565 22.050 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -9.992 -37.937 20.876 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.506 -33.851 23.885 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -10.794 -33.257 23.542 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.975 -33.306 24.528 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.826 -42.194 9.046 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.160 -41.356 9.394 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -8.544 -42.513 8.471 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.999 -43.653 5.443 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.025 -43.201 4.579 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -9.620 -44.530 5.243 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -10.911 -38.785 18.319 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -11.124 -38.906 19.262 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.098 -38.238 18.331 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -12.992 -36.058 23.110 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -13.715 -35.713 22.579 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -12.464 -35.264 23.343 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.412 -44.450 9.701 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.104 -44.905 10.219 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.826 -43.595 9.451 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -12.169 -36.547 12.125 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -12.979 -37.064 12.169 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.473 -35.616 12.263 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -9.636 -35.916 24.252 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -10.276 -35.182 24.191 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -10.171 -36.715 24.060 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -9.769 -34.970 12.333 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -9.527 -35.202 13.236 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -10.517 -35.561 12.126 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -7.061 -32.158 9.069 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -7.533 -32.922 8.672 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -7.418 -32.110 9.974 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -8.591 -32.631 11.444 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.873 -33.437 11.926 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -8.817 -31.896 12.049 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.026 -46.192 21.618 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -8.536 -46.970 21.971 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -9.449 -45.805 22.408 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -3.636 -44.722 9.424 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -4.612 -44.655 9.531 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -3.403 -43.945 8.904 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -11.263 -42.638 14.861 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -11.499 -41.856 15.399 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -10.935 -43.284 15.514 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -11.821 -44.306 8.899 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -12.195 -43.996 9.750 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -11.444 -45.187 9.111 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -7.733 -41.942 20.348 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -7.487 -41.852 21.293 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -7.531 -42.881 20.145 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -9.774 -46.004 14.619 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -9.983 -45.492 15.431 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -10.115 -45.444 13.888 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -10.800 -44.313 12.727 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -10.908 -43.613 13.410 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -11.586 -44.214 12.160 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.566 -46.286 18.940 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -9.279 -46.183 19.877 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -10.507 -46.479 19.005 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -12.954 -43.245 11.212 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -13.847 -43.119 10.817 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -12.861 -42.506 11.822 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -10.385 -44.530 16.879 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -10.883 -43.882 17.432 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -9.900 -45.071 17.531 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -11.513 -43.419 22.022 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -11.108 -42.650 21.565 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -12.099 -43.800 21.364 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -7.690 -39.115 22.808 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -7.525 -40.076 22.861 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -7.629 -38.918 21.855 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -9.429 -39.829 8.849 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.930 -40.576 8.447 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -10.007 -39.519 9.582 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -12.379 -42.314 26.534 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -11.818 -42.898 25.968 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -13.249 -42.722 26.500 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -13.046 -34.000 12.502 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -13.633 -33.423 12.999 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -12.498 -33.385 11.968 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -11.984 -40.541 16.570 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -12.818 -40.078 16.442 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -11.447 -39.918 17.121 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -9.454 -32.198 23.284 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -9.181 -31.264 23.361 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -8.656 -32.699 23.549 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -10.630 -32.745 16.396 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -10.182 -33.625 16.431 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -11.450 -32.881 16.885 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -6.940 -39.074 7.781 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -7.803 -39.502 7.965 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -6.299 -39.631 8.241 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -6.960 -44.536 20.860 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -6.189 -45.010 21.243 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -7.727 -45.083 21.114 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -8.771 -45.532 11.007 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -9.377 -46.066 10.460 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -9.360 -45.059 11.623 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -11.145 -43.922 24.707 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -10.558 -44.703 24.680 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -11.292 -43.702 23.760 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -6.995 -46.285 14.629 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -6.960 -46.603 15.554 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -7.944 -46.107 14.480 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.822 -46.887 9.426 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -11.466 -47.486 9.869 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -10.486 -47.409 8.685 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -8.567 -34.398 8.752 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -8.719 -35.320 8.450 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -8.604 -34.455 9.715 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -5.907 -34.965 26.142 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -6.277 -35.685 25.591 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -5.392 -35.432 26.829 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -8.753 -40.193 25.304 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -8.003 -39.825 25.815 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -8.699 -39.740 24.445 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -8.794 -37.016 8.047 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -8.003 -37.575 8.154 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.531 -37.640 8.101 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -11.240 -38.066 23.666 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -11.460 -38.650 24.427 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -12.054 -37.527 23.532 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -12.769 -44.392 3.503 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -12.574 -45.338 3.495 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -13.040 -44.213 4.434 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -10.445 -41.410 20.470 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -9.483 -41.572 20.361 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -10.501 -40.467 20.739 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -9.284 -46.064 24.458 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -9.009 -45.825 25.373 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -8.810 -46.892 24.277 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -8.420 -45.280 26.954 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -8.801 -45.465 27.844 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -7.462 -45.443 27.070 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -4.956 -48.496 23.341 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -4.326 -49.228 23.232 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -4.717 -48.097 24.206 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -14.423 -31.574 19.912 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -14.100 -30.789 19.431 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -14.917 -31.213 20.649 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -6.914 -33.039 24.179 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -6.824 -32.465 24.968 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -6.657 -33.919 24.500 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -2.337 -51.696 19.714 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -1.761 -52.304 20.210 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -2.737 -51.142 20.399 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -8.035 -29.700 23.490 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -7.183 -29.219 23.593 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -8.697 -29.102 23.890 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.327 -35.053 16.942 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.496 -35.987 17.131 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.608 -34.812 17.564 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -7.549 -47.092 17.222 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -6.929 -47.445 17.863 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -8.294 -46.759 17.768 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -1.174 -51.878 15.216 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -0.879 -52.386 14.422 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -0.833 -50.989 15.068 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.390 -48.656 14.383 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -9.780 -49.002 15.044 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.236 -47.681 14.403 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -3.153 -52.964 12.042 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -2.187 -52.938 12.104 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -3.424 -53.472 12.824 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.910 -49.129 13.234 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -12.159 -48.890 13.810 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -12.965 -50.103 13.304 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -11.421 -32.340 10.994 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -10.502 -32.671 10.949 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -11.642 -32.137 10.078 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -7.670 -48.199 22.867 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -7.874 -49.099 22.534 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -6.708 -48.226 23.047 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -6.299 -41.248 29.636 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -7.228 -40.961 29.509 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -5.885 -41.116 28.753 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -4.379 -43.456 26.621 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -3.419 -43.465 26.809 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -4.667 -42.553 26.884 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.336 -40.561 31.384 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -4.659 -40.544 32.291 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.139 -40.757 30.844 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -4.936 -40.863 27.259 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -4.069 -40.398 27.234 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -5.560 -40.223 26.849 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -8.800 -30.634 27.073 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -8.090 -31.306 27.020 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -8.356 -29.799 26.833 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -8.988 -45.772 29.590 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -9.587 -45.453 30.268 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -8.130 -45.877 30.056 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -5.061 -43.699 29.983 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -5.647 -42.922 29.856 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -4.162 -43.334 29.890 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -8.762 -40.255 28.830 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -8.641 -41.036 28.238 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -9.738 -40.190 28.934 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -5.757 -45.555 27.563 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -5.772 -45.413 28.523 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -5.316 -44.747 27.208 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -1.770 -43.329 27.556 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -0.939 -43.749 27.811 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.131 -42.976 28.402 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -7.351 -37.891 28.835 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -7.963 -37.243 29.202 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -7.821 -38.752 28.941 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 1.133 -39.282 27.467 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 1.902 -39.102 28.041 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 1.535 -39.549 26.607 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -3.216 -34.191 28.535 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -2.336 -34.578 28.445 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -3.822 -34.959 28.488 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -4.865 -36.493 28.356 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -4.225 -37.118 28.771 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -5.736 -36.877 28.569 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -2.555 -39.592 27.078 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -2.059 -39.890 27.865 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -2.316 -38.644 26.996 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -6.579 -38.872 26.389 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -6.653 -38.132 25.747 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -6.773 -38.455 27.256 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -6.541 -45.776 30.858 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -6.071 -46.163 31.602 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -6.009 -44.980 30.624 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -11.511 -40.318 28.513 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -11.829 -41.179 28.192 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -11.588 -39.736 27.738 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -7.157 -36.928 24.554 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -7.229 -37.602 23.847 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -8.031 -36.466 24.530 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -11.437 -39.830 25.758 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -11.851 -40.706 25.907 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -10.484 -40.033 25.637 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -8.517 -42.377 27.171 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -8.608 -43.329 26.977 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -8.689 -41.941 26.318 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -3.431 -38.372 29.773 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -3.740 -39.081 30.366 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -2.487 -38.545 29.666 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -1.909 -41.646 25.356 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -2.151 -40.861 25.891 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -1.733 -42.339 26.020 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.968 -45.683 23.881 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.000 -45.777 23.931 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -3.300 -46.173 24.658 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -2.675 -42.092 29.828 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -1.947 -41.461 29.642 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -3.238 -41.617 30.477 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.398 -47.225 25.788 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -4.235 -47.900 26.454 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.972 -46.571 26.248 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -8.068 -28.077 26.298 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -8.888 -28.091 25.756 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -7.409 -27.663 25.715 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -4.156 -31.620 28.283 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -3.802 -32.540 28.319 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -4.309 -31.391 29.206 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -0.026 -27.481 -16.871 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -0.989 -27.312 -16.827 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 0.334 -26.688 -17.313 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 2.922 -25.461 -14.950 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 2.041 -25.608 -14.537 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 3.142 -26.326 -15.362 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -3.925 -28.900 -15.352 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -4.709 -29.410 -15.570 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -3.192 -29.553 -15.398 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 1.749 -17.208 -25.466 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 1.138 -16.460 -25.430 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 1.632 -17.568 -26.355 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 6.256 -11.206 -13.386 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 7.104 -10.868 -13.734 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 6.507 -11.652 -12.542 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 0.434 -25.231 -13.763 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 0.011 -24.877 -14.574 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -0.285 -25.232 -13.099 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -3.633 -24.406 -12.791 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -2.781 -24.742 -12.437 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -3.598 -24.624 -13.747 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 2.993 -17.279 -16.491 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 3.761 -16.694 -16.466 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 2.745 -17.303 -17.446 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.764 -26.983 -16.865 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.010 -27.322 -17.757 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -3.187 -27.622 -16.245 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -4.551 -27.673 -5.898 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -4.392 -28.192 -6.718 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -4.454 -28.335 -5.178 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -1.296 -25.304 -11.617 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -1.154 -24.730 -10.832 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -1.126 -26.195 -11.289 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -4.169 -29.487 -7.979 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -3.523 -30.232 -7.922 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -4.983 -29.906 -8.267 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -0.600 -19.139 -12.116 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 0.059 -19.851 -12.283 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -0.879 -18.863 -12.996 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -0.751 -23.957 -15.908 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -1.719 -23.971 -15.763 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -0.482 -23.054 -15.663 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 1.975 -24.676 -11.472 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 1.452 -25.011 -12.223 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 2.835 -24.421 -11.877 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -3.399 -24.707 -15.533 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -4.227 -24.500 -15.981 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -3.083 -25.528 -15.984 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -5.859 -33.166 -5.850 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.260 -34.006 -6.137 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.130 -33.020 -6.495 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -3.019 -17.399 -13.373 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.591 -18.070 -12.939 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.347 -17.358 -14.276 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.700 -26.329 0.292 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -1.117 -26.313 -0.503 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -2.476 -25.826 0.021 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -5.478 -27.904 -2.156 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.675 -27.159 -2.773 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.986 -28.548 -2.717 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -1.263 -26.303 7.189 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -2.109 -26.040 6.748 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -0.665 -26.486 6.453 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -4.260 -29.568 -3.959 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -3.542 -29.978 -4.499 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -4.721 -30.338 -3.552 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -2.263 -29.003 1.067 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -3.209 -28.889 0.829 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -1.855 -28.144 0.835 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -7.992 -32.677 -1.780 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -8.170 -33.067 -2.666 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -8.128 -33.409 -1.167 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -6.394 -20.236 -13.464 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -7.262 -19.848 -13.607 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -5.949 -19.616 -12.856 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -4.225 -25.072 3.115 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -4.648 -24.218 2.971 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -4.865 -25.720 2.750 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -0.401 -17.310 -8.743 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -1.055 -18.000 -8.948 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.313 -16.809 -9.575 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 1.049 -20.436 9.164 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 0.587 -19.583 8.977 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 1.289 -20.368 10.110 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.460 -25.533 5.797 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.208 -25.144 6.292 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.723 -25.449 4.860 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -4.325 -31.556 2.567 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.237 -31.702 3.538 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.755 -30.792 2.396 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -6.012 -26.162 -4.134 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -5.535 -26.673 -4.829 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -6.120 -25.288 -4.517 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -1.064 -27.130 -4.788 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -1.505 -27.969 -4.990 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -0.148 -27.250 -5.135 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -3.200 -20.367 5.655 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -3.213 -19.528 5.185 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -2.425 -20.841 5.276 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -2.666 -15.293 -5.097 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -1.887 -15.339 -4.499 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -3.371 -15.710 -4.596 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -4.411 -19.170 -11.823 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -3.860 -19.073 -11.023 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -4.315 -20.118 -12.066 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 0.187 -15.610 -10.972 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -0.755 -15.771 -11.171 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 0.196 -14.722 -10.561 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -4.389 -24.271 -10.081 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -4.311 -24.400 -11.048 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -4.902 -25.027 -9.783 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -7.667 -27.549 -0.491 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -8.347 -27.064 -0.975 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -6.911 -27.596 -1.119 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -7.173 -30.242 -0.220 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -7.822 -30.767 -0.727 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -7.551 -29.334 -0.212 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -2.348 -29.561 3.767 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -3.197 -29.079 3.891 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -2.074 -29.328 2.856 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -2.440 -16.462 -10.903 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -2.489 -17.333 -10.458 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -2.594 -16.672 -11.854 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -4.212 -21.742 -12.638 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -5.049 -21.562 -13.119 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -4.059 -22.703 -12.772 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -5.306 -24.401 7.605 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -6.141 -24.763 7.975 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -4.661 -24.505 8.334 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -4.910 -28.585 3.864 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.603 -29.050 4.345 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -5.391 -27.935 3.317 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -3.887 -18.878 8.230 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -4.575 -19.541 8.393 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -3.381 -19.243 7.491 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -2.249 -19.139 -10.027 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -1.584 -19.208 -10.759 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -2.416 -20.069 -9.771 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 0.555 -20.533 -6.793 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -0.117 -19.868 -6.595 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 0.177 -21.376 -6.433 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -2.983 -21.911 -10.128 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -3.565 -22.658 -9.867 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -3.216 -21.750 -11.063 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -1.125 -23.950 -9.169 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -1.668 -23.158 -9.354 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -1.471 -24.286 -8.319 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -2.008 -25.065 -6.499 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -1.575 -25.701 -5.891 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -2.912 -25.396 -6.576 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -0.852 -21.414 4.605 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -0.437 -22.142 4.098 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -0.523 -21.546 5.524 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 0.271 -24.320 8.420 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -0.243 -24.112 9.226 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -0.224 -25.058 8.006 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -2.313 -30.688 -5.466 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -1.558 -31.192 -5.153 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -2.528 -31.096 -6.345 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -1.317 -25.093 2.846 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -1.313 -25.590 2.008 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -2.254 -25.078 3.109 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -0.748 -30.466 5.790 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -1.176 -30.110 4.979 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 0.102 -30.833 5.473 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -0.380 -15.506 -3.564 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -0.051 -16.431 -3.526 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -0.136 -15.136 -2.689 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -1.722 -31.727 0.340 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -2.497 -32.041 -0.155 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -1.918 -30.787 0.524 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -4.840 -28.704 0.329 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -5.515 -29.406 0.383 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.917 -28.371 -0.596 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -1.640 -14.251 -7.371 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -2.102 -14.654 -6.596 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -2.280 -14.344 -8.102 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -5.097 -31.191 7.429 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -5.813 -31.638 7.938 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -4.889 -30.414 7.954 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -7.063 -23.157 14.661 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -6.515 -22.946 13.874 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -7.816 -23.676 14.300 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -5.055 -21.990 18.524 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -5.279 -21.059 18.310 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -4.085 -21.997 18.574 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.781 -26.009 14.317 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -5.494 -25.603 13.471 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.130 -25.266 14.831 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -2.783 -15.338 15.870 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -2.273 -14.554 15.561 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -2.151 -15.833 16.406 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -10.679 -25.146 18.225 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -10.890 -24.223 18.459 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -11.267 -25.682 18.798 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -6.707 -23.847 17.319 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -6.854 -23.512 16.411 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -6.133 -23.168 17.734 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -8.674 -31.469 19.804 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -7.999 -31.610 20.514 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -9.517 -31.620 20.251 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -1.228 -13.156 15.245 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -0.818 -13.401 14.393 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -0.541 -12.628 15.699 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -3.547 -17.989 14.596 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -3.429 -17.179 15.118 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -3.628 -17.677 13.689 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -9.093 -24.870 13.792 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -10.008 -24.722 13.527 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -8.699 -25.352 13.030 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -3.834 -20.753 14.632 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -3.162 -21.067 15.278 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -3.686 -19.780 14.589 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -4.469 -18.375 19.990 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -5.066 -18.635 19.253 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -3.612 -18.204 19.554 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -10.979 -16.347 22.894 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -11.118 -17.157 22.384 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -11.227 -16.598 23.816 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -5.119 -22.352 12.818 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -4.587 -21.898 13.516 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -5.038 -21.772 12.050 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -2.660 -17.485 10.356 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -3.166 -17.757 9.560 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -2.525 -18.328 10.849 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -8.390 -15.488 22.635 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -7.911 -16.309 22.884 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -9.339 -15.748 22.657 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -5.273 -14.076 15.973 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -4.477 -14.648 15.988 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.310 -13.749 15.065 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.312 -12.841 12.404 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -7.039 -13.455 12.266 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.442 -12.156 11.712 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -11.191 -28.519 17.389 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -10.618 -27.964 16.815 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -11.203 -28.044 18.241 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -6.946 -31.539 21.851 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -7.304 -30.769 22.345 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -6.713 -32.180 22.554 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -4.695 -21.616 7.617 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -4.358 -21.306 6.750 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -5.074 -22.497 7.427 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -7.812 -26.211 11.752 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -6.887 -25.934 11.914 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -7.897 -27.064 12.234 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -10.579 -22.134 18.924 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -11.392 -21.623 18.858 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -9.868 -21.473 18.758 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -9.060 -19.779 18.802 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -9.070 -19.461 19.735 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -9.126 -18.974 18.278 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -5.872 -28.716 14.219 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -6.748 -28.814 13.799 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -5.711 -27.746 14.205 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -6.200 -22.450 20.959 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -5.879 -22.309 20.045 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -6.081 -23.409 21.106 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -1.931 -21.741 16.375 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -1.904 -22.035 17.297 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -1.070 -22.023 16.007 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -8.137 -25.163 19.233 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -9.026 -25.232 18.823 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.586 -24.736 18.531 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.489 -28.337 13.412 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -9.000 -29.108 13.080 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -8.951 -28.080 14.226 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -9.716 -23.427 21.180 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -10.050 -22.938 20.395 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -9.007 -23.987 20.825 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -10.977 -30.291 15.245 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -11.100 -29.714 16.025 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -10.844 -31.185 15.627 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -8.419 -26.734 21.500 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -8.392 -26.282 20.632 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -7.653 -27.352 21.469 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -7.346 -25.620 9.039 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -7.496 -25.684 10.003 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -7.968 -26.247 8.662 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -5.787 -19.873 21.967 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -6.036 -20.767 21.630 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -5.327 -19.449 21.210 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -5.329 -24.932 11.886 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -4.804 -25.031 11.062 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -5.213 -23.987 12.130 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -9.417 -21.161 22.763 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -9.223 -21.520 23.652 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -9.404 -21.946 22.183 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -11.304 -13.501 22.180 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -11.220 -14.464 22.288 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -11.719 -13.205 23.018 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -6.190 -19.499 18.144 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -6.249 -19.701 17.179 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -7.079 -19.705 18.482 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -9.680 -26.603 16.060 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -9.305 -26.009 15.384 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.984 -25.997 16.768 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -5.790 -25.243 20.727 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -5.733 -26.164 21.057 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -6.593 -25.237 20.175 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -9.131 -18.845 21.387 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -8.476 -18.366 21.920 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -9.284 -19.681 21.892 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -4.006 -19.927 24.023 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -3.227 -20.301 23.565 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -4.728 -20.003 23.363 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -6.966 -20.823 26.378 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -6.241 -20.346 26.846 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -7.554 -20.098 26.048 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -2.305 -21.526 8.914 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -1.684 -21.507 8.159 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -3.194 -21.552 8.493 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -11.903 -27.167 19.819 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -11.705 -27.056 20.773 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -12.684 -27.745 19.804 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -10.643 -24.182 23.711 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -10.118 -23.545 24.233 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -10.483 -23.915 22.778 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -13.606 -29.348 18.452 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -12.732 -29.195 18.035 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -14.226 -29.316 17.716 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -7.300 -26.464 24.091 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -6.520 -27.041 23.872 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -7.791 -26.406 23.249 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -13.994 -30.454 27.038 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -13.888 -31.128 27.707 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -13.090 -30.108 26.899 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -11.352 -29.648 26.875 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -11.176 -28.863 27.432 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -10.520 -30.171 26.932 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -5.337 -17.975 25.403 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.995 -17.833 26.301 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -4.814 -18.734 25.064 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -0.227 -21.817 12.450 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 0.445 -21.149 12.200 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -0.087 -21.948 13.405 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 2.794 -17.551 12.706 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 2.076 -17.070 13.139 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 3.538 -17.495 13.347 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -1.369 -23.492 10.505 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -1.721 -22.751 9.958 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -0.947 -23.042 11.268 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -3.565 -25.018 9.708 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -2.791 -24.503 10.026 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -3.178 -25.828 9.348 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 0.413 -22.822 15.213 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 1.235 -22.912 15.741 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 0.233 -23.717 14.905 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -1.464 -28.987 8.030 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -1.427 -28.029 7.848 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -1.205 -29.404 7.181 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -3.775 -13.011 13.286 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -3.462 -13.791 12.786 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -4.699 -12.877 12.966 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -8.325 -13.036 23.824 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -8.044 -12.408 23.122 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -8.298 -13.911 23.384 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -6.073 -10.834 19.708 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -6.268 -11.567 19.076 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -6.096 -10.022 19.146 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -8.086 -31.850 17.201 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.372 -31.871 18.142 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -8.881 -32.135 16.708 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -10.000 -30.594 12.750 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -10.419 -30.498 13.639 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -10.696 -31.000 12.201 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -2.679 -14.968 11.475 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -2.734 -15.885 11.113 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -2.531 -14.410 10.685 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -7.896 -18.814 28.951 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -7.995 -17.959 28.504 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.023 -18.754 29.378 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -6.730 -23.768 30.895 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -6.461 -24.716 30.869 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -7.690 -23.794 30.751 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -4.144 -19.889 30.626 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -3.257 -19.516 30.438 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -4.728 -19.101 30.671 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -6.078 -26.257 30.083 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -5.331 -26.907 30.082 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -6.854 -26.785 29.796 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -8.941 -22.482 25.152 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -8.662 -23.343 25.534 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -8.373 -21.827 25.605 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -1.509 -24.145 26.391 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.775 -23.723 27.231 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -1.880 -25.046 26.451 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 2.691 -34.150 27.455 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 3.651 -33.968 27.316 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 2.240 -33.408 26.992 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 0.128 -16.083 26.250 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 0.927 -16.182 26.809 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -0.048 -16.985 25.938 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -5.984 -11.809 26.257 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -6.755 -11.523 26.796 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -5.730 -12.673 26.643 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -5.567 -17.639 29.925 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.238 -16.942 29.767 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -4.872 -17.453 29.254 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -8.364 -24.966 26.104 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -7.877 -25.495 25.430 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -9.250 -25.377 26.134 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -10.060 -20.450 28.808 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -10.434 -20.187 29.655 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -9.198 -19.965 28.765 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -4.155 -22.682 30.870 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -4.218 -21.698 30.876 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -5.075 -22.981 31.035 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -10.183 -28.254 24.554 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -10.620 -27.761 23.826 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -10.915 -28.704 25.012 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -11.133 -25.232 26.374 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -11.124 -24.384 26.880 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -11.305 -24.957 25.455 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -11.402 -17.233 25.465 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -11.450 -18.139 25.839 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -11.944 -16.691 26.081 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.683 -19.042 25.388 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -9.653 -19.061 25.440 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -8.494 -18.513 24.598 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -3.619 -17.138 28.082 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -2.917 -17.635 28.554 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -3.151 -16.372 27.692 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -4.904 -20.141 27.936 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -4.745 -20.012 28.889 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -4.003 -20.209 27.553 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -2.357 -14.984 26.944 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -1.451 -15.329 26.813 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -2.246 -14.003 26.917 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -2.303 -20.688 27.374 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -1.747 -20.850 26.582 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -2.266 -21.538 27.868 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -12.881 -15.695 27.237 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -13.769 -15.919 27.527 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -12.788 -14.748 27.462 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -8.594 -24.580 28.832 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -8.346 -24.547 27.882 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -8.558 -25.534 29.050 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -7.191 -15.808 28.705 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -7.839 -15.132 28.933 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -6.517 -15.326 28.180 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -10.645 -23.028 27.913 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -10.507 -22.104 28.203 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -9.975 -23.536 28.413 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -8.370 -27.315 28.888 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -8.092 -27.676 28.016 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -9.338 -27.459 28.903 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -1.747 -23.850 31.570 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -2.637 -23.454 31.418 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -1.671 -23.895 32.531 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -9.883 -14.132 25.841 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -9.217 -13.866 25.171 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -9.894 -15.101 25.794 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -7.139 -17.864 23.298 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -6.601 -17.761 24.121 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -6.720 -18.628 22.837 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -11.215 -19.853 26.368 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -10.805 -20.009 27.245 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -11.274 -20.735 25.976 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -10.981 -26.547 22.549 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -10.070 -26.521 22.184 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -11.025 -25.756 23.136 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -12.850 -12.920 27.426 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -13.043 -11.971 27.467 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -12.765 -13.101 26.469 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.843 -18.847 29.337 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -0.870 -18.848 29.492 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -1.961 -19.458 28.578 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -2.262 -22.967 28.809 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -1.570 -23.136 29.467 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -3.087 -22.933 29.335 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -1.695 -26.062 29.862 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -0.918 -25.836 29.310 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -1.694 -25.383 30.563 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -2.972 -26.435 27.049 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.718 -26.626 27.969 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -2.980 -27.310 26.623 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -3.851 -27.728 29.791 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -3.042 -27.217 30.008 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -3.547 -28.382 29.127 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -6.542 -32.297 26.846 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -5.735 -31.932 27.263 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -6.354 -33.255 26.760 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -11.102 -27.262 28.252 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -11.950 -27.169 28.703 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -11.130 -26.580 27.542 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -10.107 -12.744 28.226 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -11.074 -12.740 28.316 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -9.946 -13.304 27.439 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -5.146 -14.181 27.510 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -4.330 -14.658 27.275 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.851 -13.521 28.183 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -0.623 -7.835 -19.051 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -0.667 -6.903 -19.384 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -1.476 -8.212 -19.293 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 2.969 -7.204 -17.155 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 2.835 -7.742 -17.962 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 2.065 -7.103 -16.786 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -3.573 -2.564 -16.711 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -3.306 -1.653 -16.491 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -3.088 -2.760 -17.533 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.729 -2.701 -18.766 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.185 -1.883 -19.064 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -0.807 -2.578 -19.050 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -1.613 -1.118 -11.549 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -1.855 -2.045 -11.784 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -1.953 -0.588 -12.299 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -3.222 -8.004 -11.737 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -3.992 -7.775 -12.267 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.722 -7.168 -11.665 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -3.263 -0.378 -19.254 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -4.149 -0.433 -19.630 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -2.889 0.456 -19.637 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -2.410 0.192 -13.861 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -3.235 0.644 -13.644 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -2.471 0.040 -14.834 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -2.276 1.965 -20.154 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -1.454 2.148 -19.639 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -2.355 2.720 -20.742 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -0.843 -4.401 -16.540 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -0.597 -3.751 -15.851 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -1.123 -3.853 -17.295 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -2.078 -3.607 -12.468 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -2.632 -3.889 -13.237 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -1.893 -4.442 -11.992 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 0.284 -6.883 -16.596 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -0.113 -7.318 -17.379 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -0.134 -5.989 -16.583 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 1.174 -7.902 -10.253 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 0.374 -8.470 -10.372 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 1.798 -8.472 -9.764 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -1.113 -9.388 -10.607 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -1.495 -10.212 -10.243 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -1.862 -8.976 -11.094 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -3.328 -14.232 -9.620 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -2.967 -15.007 -10.114 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -4.284 -14.328 -9.698 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -0.156 -2.671 -14.422 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -0.003 -1.698 -14.380 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -0.922 -2.818 -13.829 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -3.136 -4.420 -14.792 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -3.514 -3.761 -15.416 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -2.516 -4.927 -15.335 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -1.220 -6.094 -11.579 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -0.801 -6.755 -11.008 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -0.475 -5.712 -12.086 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.274 -11.668 -9.494 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -2.637 -11.388 -8.646 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -2.712 -12.530 -9.669 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -7.387 -2.508 14.843 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -8.102 -3.174 14.805 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -7.380 -2.220 15.781 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -7.611 -2.255 17.576 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -7.888 -1.970 18.448 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -7.691 -3.234 17.604 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -9.401 -4.430 15.046 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -10.305 -4.188 14.824 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -9.267 -5.301 14.595 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -5.987 -7.762 15.460 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -6.022 -7.559 14.503 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -5.743 -6.909 15.877 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -6.376 -20.628 15.686 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -6.812 -21.431 15.348 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -5.485 -20.651 15.280 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -2.801 -6.212 16.413 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -3.722 -5.935 16.615 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.321 -6.078 17.255 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.379 -1.933 13.115 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -6.097 -2.147 13.759 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -5.498 -0.996 12.938 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -3.890 -7.434 21.574 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.076 -6.781 20.870 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -3.939 -8.304 21.113 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -3.473 -3.470 11.814 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -4.121 -2.801 12.131 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -2.625 -3.186 12.208 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -1.888 -12.984 9.608 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -1.042 -12.862 9.148 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -1.779 -12.489 10.451 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -4.810 -6.693 24.017 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -4.491 -6.930 23.115 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -4.808 -5.715 24.021 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -7.942 -11.532 21.552 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -7.289 -11.144 20.922 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -8.789 -11.532 21.049 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -6.356 -8.978 24.302 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.133 -9.312 25.184 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.816 -8.163 24.213 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -5.282 -4.968 13.204 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -5.718 -4.211 13.620 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -4.601 -4.562 12.630 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -6.534 -7.298 12.732 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.996 -7.819 12.105 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -6.070 -6.429 12.787 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -6.120 -8.684 18.053 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -6.936 -8.168 18.190 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -5.885 -8.509 17.119 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -8.660 -7.537 17.704 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -8.819 -8.126 16.940 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -9.013 -8.041 18.475 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -7.975 -4.944 17.320 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -8.249 -5.860 17.565 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -8.521 -4.738 16.529 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -9.368 -9.016 19.865 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -9.085 -8.728 20.756 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -9.849 -9.849 20.026 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.931 -5.443 19.650 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.774 -4.836 20.403 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -3.025 -5.704 19.363 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -4.120 -11.386 9.193 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -3.492 -12.136 9.162 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -3.545 -10.599 9.259 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -2.512 -9.227 9.898 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -2.337 -8.310 9.649 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -1.618 -9.610 10.035 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -1.326 -5.291 11.050 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -2.210 -4.931 10.871 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -0.882 -4.584 11.549 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -5.323 -5.690 17.225 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -5.001 -5.584 18.147 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -6.221 -5.293 17.240 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -6.610 -14.017 21.153 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -7.332 -14.553 21.551 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -6.918 -13.095 21.248 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -6.569 -11.128 10.275 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -7.224 -10.942 9.592 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -5.741 -11.325 9.770 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -8.974 -6.872 13.940 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -9.020 -7.709 14.438 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -8.175 -6.974 13.379 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -8.411 -8.878 22.481 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -7.661 -8.724 23.094 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -8.375 -9.834 22.305 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -8.335 -9.157 15.446 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -8.123 -10.078 15.262 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -7.460 -8.706 15.459 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -1.487 -6.255 18.835 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -0.602 -5.863 18.999 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -1.317 -7.226 18.815 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -7.925 -2.694 32.596 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -7.692 -2.013 33.228 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -7.604 -3.506 32.988 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -10.427 -11.622 20.396 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -10.894 -11.911 19.606 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -10.762 -12.224 21.106 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -9.381 -10.934 25.232 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -8.860 -10.984 26.061 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -9.022 -11.663 24.680 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -5.498 -11.632 23.568 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -5.804 -11.798 24.487 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -5.679 -10.687 23.430 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -12.092 -12.889 24.755 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -11.262 -13.239 25.142 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -12.101 -11.944 25.018 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -9.706 -8.250 24.951 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -9.418 -7.957 24.072 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -9.559 -9.220 24.936 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -1.003 -3.264 13.041 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -0.448 -2.732 13.621 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -1.147 -4.098 13.543 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 1.444 -7.180 16.664 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 1.249 -6.414 17.233 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 1.709 -7.882 17.294 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -3.089 -4.041 21.903 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -2.631 -3.193 21.860 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -3.601 -3.995 22.742 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -2.202 -4.700 25.727 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -2.352 -5.630 25.986 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -1.227 -4.621 25.668 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -3.626 -9.916 20.541 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -4.473 -10.409 20.481 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -3.003 -10.549 20.962 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -1.573 -5.719 14.092 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -2.228 -6.032 13.453 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -1.994 -5.890 14.970 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -3.624 -8.726 13.721 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -2.706 -8.792 13.379 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -4.183 -8.793 12.917 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 0.191 -9.945 10.125 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 0.367 -9.017 10.402 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 0.622 -10.486 10.820 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -6.584 -12.989 18.155 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -6.227 -13.396 17.335 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -6.708 -13.734 18.757 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -4.893 -9.126 11.365 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -4.105 -9.238 10.794 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -5.507 -9.828 11.068 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -4.386 -12.152 29.115 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -5.053 -11.619 29.555 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -3.594 -11.580 29.099 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -11.989 -10.394 25.907 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -11.029 -10.513 25.744 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -12.131 -9.448 25.789 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -9.290 -8.424 27.655 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -9.418 -8.234 26.699 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -9.527 -7.602 28.093 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -3.109 -7.325 26.052 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -3.678 -6.995 25.324 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -3.452 -8.232 26.222 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -4.080 -9.850 26.010 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -3.452 -10.279 25.398 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -4.691 -10.571 26.268 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -2.349 -10.244 29.622 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -2.500 -9.702 30.403 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -2.095 -9.590 28.923 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -8.143 -10.919 27.683 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -8.798 -11.535 28.086 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -8.513 -10.022 27.863 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 4.537 -56.550 -16.716 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 4.746 -56.049 -17.530 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 4.485 -57.462 -17.007 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 3.262 -50.235 -12.210 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 2.580 -49.974 -11.551 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 2.924 -49.876 -13.060 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 6.869 -52.990 -14.525 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 6.989 -52.408 -15.289 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 7.784 -53.138 -14.190 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 14.439 -46.120 -14.357 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 14.190 -45.829 -13.450 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 13.641 -45.942 -14.893 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 11.883 -54.208 -13.082 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 12.832 -53.982 -13.115 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 11.528 -53.656 -12.359 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 5.043 -54.588 -18.609 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 4.938 -54.142 -17.741 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 5.201 -53.872 -19.225 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 14.541 -53.648 -13.527 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 15.507 -53.486 -13.406 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 14.329 -53.195 -14.368 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 0.237 -51.853 -9.989 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 0.187 -52.805 -10.241 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -0.699 -51.568 -9.949 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 10.414 -52.808 -11.159 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 10.458 -53.439 -10.417 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 10.124 -51.968 -10.740 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 4.711 -53.761 -16.026 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 4.456 -54.696 -15.904 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 5.362 -53.595 -15.308 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -2.939 -49.526 -20.305 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -3.077 -48.560 -20.406 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -2.151 -49.714 -20.852 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 14.548 -55.490 -11.445 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 14.615 -54.722 -12.053 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 14.273 -56.217 -12.018 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 5.543 -51.067 -16.418 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 5.200 -50.446 -17.101 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 4.971 -51.853 -16.499 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 13.608 -50.541 -13.377 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 14.549 -50.276 -13.368 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 13.560 -51.226 -14.070 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 0.527 -46.619 -15.783 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 0.186 -47.473 -16.125 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 0.169 -46.565 -14.877 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 2.276 -48.917 -14.380 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 1.343 -49.019 -14.094 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 2.229 -48.910 -15.344 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 6.190 -50.253 -13.925 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 5.879 -50.442 -14.841 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 6.370 -51.135 -13.555 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 9.436 -53.067 -13.700 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 9.627 -52.825 -12.773 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 10.171 -53.658 -13.941 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 13.698 -52.066 -15.693 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 13.869 -51.208 -16.137 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 12.884 -52.384 -16.100 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 0.834 -49.934 -19.120 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 0.611 -49.970 -18.173 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.220 -49.047 -19.238 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 16.040 -49.159 -13.614 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 15.653 -48.588 -12.917 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 16.044 -48.599 -14.408 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 10.757 -59.799 -2.448 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 9.837 -60.108 -2.559 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 10.903 -59.833 -1.481 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.052 -59.422 1.804 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 2.809 -59.049 1.298 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 1.749 -58.689 2.355 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 1.462 -55.906 -1.626 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 1.166 -55.443 -0.807 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 2.396 -55.606 -1.741 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 8.225 -60.741 3.215 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 7.245 -60.836 3.099 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.361 -59.771 3.272 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 4.059 -58.486 0.200 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 4.273 -57.582 -0.125 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 4.776 -59.044 -0.161 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 5.577 -58.990 -3.311 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 4.784 -58.405 -3.278 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 5.618 -59.385 -2.419 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 2.699 -52.549 -3.034 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 1.842 -52.922 -3.299 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 3.205 -53.326 -2.695 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 8.137 -58.102 -3.685 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 8.105 -57.613 -2.833 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 7.301 -58.614 -3.692 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 16.542 -57.042 0.941 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 15.680 -56.645 1.221 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 16.312 -57.574 0.168 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 10.750 -57.262 -4.557 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 10.019 -57.741 -4.117 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 11.560 -57.675 -4.190 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 11.010 -59.826 0.297 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 10.208 -59.312 0.557 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 11.758 -59.194 0.454 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 5.368 -56.788 -5.930 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 5.313 -57.402 -5.188 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 6.328 -56.722 -6.118 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 7.391 -56.980 -1.340 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 6.423 -56.914 -1.348 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 7.650 -56.534 -0.507 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 8.149 -56.899 -6.096 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 8.138 -57.285 -5.191 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 8.995 -57.180 -6.459 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 3.275 -56.031 2.027 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 3.486 -55.113 2.235 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 3.648 -56.162 1.123 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 3.538 -55.397 -7.368 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 2.767 -55.258 -6.780 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 4.164 -55.934 -6.822 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 14.774 -51.340 -7.773 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 14.844 -50.578 -8.390 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 15.703 -51.618 -7.636 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 11.816 -49.205 -10.045 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 12.743 -49.331 -9.806 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 11.844 -48.923 -10.979 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 12.007 -62.365 0.684 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 11.739 -61.475 0.381 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 11.571 -62.457 1.560 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 8.652 -58.579 0.699 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 8.339 -57.879 1.300 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 8.198 -58.390 -0.139 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 13.057 -55.236 -9.138 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 13.450 -55.168 -10.034 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 13.699 -55.766 -8.642 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 5.162 -57.852 3.048 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 5.358 -57.216 3.779 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 4.429 -57.434 2.562 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 3.544 -57.236 -3.131 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 3.865 -56.341 -2.879 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 2.622 -57.246 -2.836 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 7.851 -59.021 6.144 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 6.948 -58.778 6.396 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 7.946 -58.667 5.231 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 8.190 -60.990 -2.403 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 7.772 -61.116 -3.262 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 8.348 -61.907 -2.074 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 -0.921 -58.578 0.873 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 -1.110 -59.459 0.500 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 -0.970 -57.977 0.101 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 6.183 -60.018 -0.761 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 6.990 -60.302 -1.248 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 6.267 -60.452 0.103 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 8.765 -61.725 0.720 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 8.536 -61.480 1.637 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 9.518 -61.150 0.504 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 5.134 -51.164 -3.387 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 4.219 -51.506 -3.407 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.094 -50.326 -3.880 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 10.901 -52.036 -7.312 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 10.051 -52.108 -6.815 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 10.798 -52.671 -8.045 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 5.535 -60.568 2.940 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 5.347 -59.621 2.770 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 4.919 -60.802 3.660 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 10.512 -54.350 -8.795 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 11.371 -54.742 -9.082 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 10.396 -54.683 -7.875 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 15.587 -49.338 -9.489 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 15.342 -48.822 -10.284 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 16.510 -49.600 -9.648 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 10.476 -55.084 -6.181 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 9.548 -54.897 -5.955 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 10.713 -55.849 -5.603 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 5.182 -51.507 -10.771 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 5.031 -52.263 -10.162 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 4.356 -51.451 -11.291 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 8.463 -52.579 -6.408 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 7.867 -52.902 -7.110 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 7.935 -52.678 -5.577 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 1.151 -54.731 -6.095 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 1.170 -53.830 -6.494 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 0.867 -54.575 -5.167 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 10.901 -61.923 3.131 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 11.494 -61.231 3.491 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 10.009 -61.581 3.300 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 9.628 -50.752 -9.607 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 9.672 -50.910 -8.654 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 10.380 -50.139 -9.782 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 8.624 -63.456 -1.320 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 9.424 -63.982 -1.218 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 8.559 -62.951 -0.474 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 3.933 -47.666 -9.356 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 3.077 -48.132 -9.343 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 3.896 -47.071 -8.585 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 14.873 -58.507 -1.225 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 14.152 -58.263 -0.594 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 15.285 -59.298 -0.817 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 2.557 -55.410 -9.916 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 2.881 -55.599 -9.011 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 3.234 -54.832 -10.291 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 12.680 -53.890 8.429 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 13.646 -53.778 8.389 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 12.427 -54.116 7.513 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 17.150 -53.197 -13.130 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 17.503 -52.376 -13.544 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 17.716 -53.337 -12.367 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 7.080 -52.916 -4.104 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 6.856 -53.692 -3.579 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 6.431 -52.235 -3.811 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 7.721 -53.605 -8.947 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.607 -54.010 -8.986 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 7.636 -53.138 -9.789 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 1.149 -57.030 3.538 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 1.808 -56.656 2.914 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 1.638 -57.085 4.389 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 4.920 -53.719 -9.081 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 5.859 -53.865 -8.851 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 4.425 -54.229 -8.402 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 3.021 -56.746 5.557 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 3.882 -56.430 5.202 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 3.263 -57.524 6.103 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 7.813 -58.001 3.610 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 6.921 -58.106 3.215 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 7.887 -57.029 3.767 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 7.206 -56.194 1.263 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 7.362 -55.669 2.085 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 6.257 -56.076 1.080 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 13.212 -56.554 3.983 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 13.535 -56.394 3.053 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 12.757 -57.412 3.928 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 3.775 -60.321 5.097 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 4.057 -59.653 5.759 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 2.846 -60.093 4.914 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 -0.018 -54.548 -10.168 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 -0.413 -55.008 -9.406 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 0.886 -54.929 -10.236 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 14.721 -55.486 -6.030 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 15.062 -56.046 -5.306 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 15.118 -55.868 -6.836 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 15.445 -57.308 -3.782 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 15.490 -57.539 -2.831 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 14.613 -57.724 -4.082 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 12.960 -58.535 -3.362 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 13.554 -58.581 -2.590 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.210 -59.129 -3.122 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 -1.240 -56.987 -1.346 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 -1.697 -56.186 -1.675 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 -0.299 -56.823 -1.549 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 14.366 -57.817 7.004 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 14.865 -57.930 7.841 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 14.778 -58.468 6.387 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 15.462 -59.396 5.043 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 15.228 -59.256 4.100 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 16.356 -59.807 5.008 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 16.000 -60.473 0.387 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 16.915 -60.768 0.413 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 15.477 -61.288 0.589 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 14.610 -59.203 2.412 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 14.034 -58.624 1.850 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 15.183 -59.660 1.765 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 -1.069 -63.108 5.928 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 -0.255 -62.697 6.302 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 -1.176 -63.920 6.435 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 1.215 -60.988 -0.250 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 1.401 -60.482 0.578 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 2.042 -60.946 -0.739 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 1.674 -49.536 -10.119 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 1.268 -50.430 -10.035 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 1.006 -48.936 -9.724 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 14.238 -61.413 10.467 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 14.915 -61.195 9.783 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 14.312 -62.365 10.575 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 5.033 -56.965 12.164 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 4.104 -56.793 11.923 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 5.152 -56.483 13.015 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 -2.379 -58.174 19.727 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 -2.049 -58.206 18.798 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 -2.371 -59.092 20.010 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 14.387 -53.354 20.331 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 13.647 -53.813 20.800 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 15.197 -53.707 20.760 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 1.118 -57.588 16.731 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 1.832 -56.946 16.513 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 1.018 -57.502 17.707 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 8.885 -53.740 18.685 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 8.775 -53.081 19.410 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 8.305 -53.412 17.971 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 13.124 -58.991 10.970 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 12.199 -59.148 10.740 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 13.539 -59.886 10.914 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 5.251 -55.038 20.641 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 4.328 -55.335 20.579 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 5.191 -54.066 20.589 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 3.094 -52.767 19.049 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 3.848 -52.506 19.620 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 3.016 -52.045 18.413 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 1.518 -56.410 8.575 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 0.664 -56.625 8.977 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 1.461 -56.775 7.683 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 12.865 -56.568 12.225 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 12.926 -57.484 11.873 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 12.241 -56.118 11.609 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.148 -56.650 21.545 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 14.908 -57.212 20.776 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 14.299 -56.414 21.937 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 9.190 -57.572 8.037 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 10.160 -57.470 7.922 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 8.926 -58.180 7.313 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 8.142 -61.749 5.809 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 8.121 -60.832 6.144 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 8.262 -61.645 4.847 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 5.810 -59.091 10.483 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 5.038 -59.643 10.244 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 5.500 -58.555 11.238 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 5.218 -52.233 20.743 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 5.567 -52.396 21.646 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 5.732 -51.465 20.427 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 12.174 -54.953 5.923 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.409 -55.460 5.118 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 11.255 -54.632 5.743 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 1.463 -53.561 22.946 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 1.569 -54.244 23.616 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 2.199 -52.926 23.134 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 3.697 -60.431 9.211 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 2.835 -60.735 9.562 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 3.946 -61.124 8.565 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 2.859 -55.552 16.265 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 2.363 -55.071 15.560 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 3.128 -54.854 16.882 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 17.501 -54.812 18.339 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 16.837 -54.182 18.002 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 17.526 -55.513 17.663 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 6.447 -52.564 23.175 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 6.958 -51.759 23.428 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.091 -53.280 23.238 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 11.364 -55.580 10.138 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 11.441 -56.253 9.433 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 11.766 -54.776 9.740 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 13.068 -46.435 13.040 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 12.375 -46.893 12.549 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 12.732 -45.510 13.125 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 2.318 -54.872 20.603 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 2.519 -54.155 19.956 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 2.001 -54.395 21.393 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 9.520 -54.387 5.479 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 8.924 -54.016 6.140 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 8.916 -54.725 4.776 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 3.870 -62.211 7.063 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 4.705 -62.737 7.072 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 3.944 -61.662 6.252 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 17.654 -49.510 20.490 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 16.920 -49.651 19.882 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 17.794 -50.391 20.905 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 14.266 -57.967 19.306 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 14.104 -58.840 18.939 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 14.410 -57.398 18.520 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 7.960 -55.288 21.041 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 6.980 -55.372 21.005 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 8.206 -55.022 20.143 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 0.499 -57.123 14.052 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 0.686 -57.466 14.952 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 0.793 -56.182 14.095 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 8.500 -55.760 9.971 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 8.715 -56.411 9.270 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 9.371 -55.484 10.307 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 9.027 -52.069 20.854 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 8.625 -51.349 21.359 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 9.371 -52.681 21.543 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 13.076 -55.938 14.916 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 12.964 -56.256 13.993 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.622 -55.090 14.929 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 14.728 -56.480 17.036 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 14.104 -56.415 16.277 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 15.614 -56.534 16.613 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 1.360 -61.693 9.942 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 0.579 -61.166 10.252 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 1.416 -62.420 10.571 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 2.982 -55.785 10.775 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 2.203 -55.588 11.312 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 2.609 -55.995 9.887 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.401 -54.810 18.734 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 10.467 -54.507 18.669 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 11.423 -55.624 18.221 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 15.358 -58.014 9.568 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 14.542 -58.295 10.033 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 15.720 -57.306 10.134 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.973 -53.650 10.835 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 15.829 -54.585 11.106 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 16.427 -53.247 11.605 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.845 -57.041 7.782 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 11.806 -56.306 7.138 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 12.704 -57.476 7.590 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 -1.202 -53.193 21.947 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 -1.381 -54.103 21.631 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 -0.274 -53.229 22.264 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 4.273 -58.589 7.179 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 5.005 -58.051 7.556 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 3.976 -59.145 7.931 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 1.141 -62.013 7.215 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 1.102 -61.856 8.184 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 2.089 -62.217 7.047 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 -2.605 -50.701 22.515 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 -1.812 -50.159 22.547 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 -2.267 -51.617 22.447 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 3.674 -52.159 23.741 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 3.762 -51.187 23.860 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 4.590 -52.461 23.588 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 12.420 -54.348 26.424 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 12.243 -53.715 27.123 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 13.316 -54.100 26.097 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 4.563 -55.191 7.431 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 3.656 -55.424 7.182 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 5.106 -55.500 6.672 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.783 -54.061 22.648 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 10.099 -54.611 23.404 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.126 -54.636 22.191 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 6.442 -57.491 8.439 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 6.344 -58.135 9.183 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 7.406 -57.468 8.269 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 6.311 -63.394 6.938 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 6.830 -64.158 7.196 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 6.965 -62.793 6.508 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 12.633 -59.961 4.111 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 13.186 -60.107 4.888 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 13.274 -59.763 3.396 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 17.643 -51.357 16.424 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 17.949 -50.425 16.369 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 18.251 -51.770 17.085 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 16.797 -54.543 21.025 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 16.369 -55.382 21.317 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 17.185 -54.765 20.152 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 15.517 -56.181 11.768 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 15.929 -56.491 12.582 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 14.551 -56.227 11.955 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 17.238 -56.234 15.897 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 17.215 -55.303 15.556 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 18.024 -56.613 15.491 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 12.243 -54.591 21.364 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 11.472 -54.376 21.926 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 11.853 -54.785 20.487 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 16.109 -60.521 8.698 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 16.031 -59.596 9.008 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 16.629 -60.457 7.889 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 14.664 -62.706 1.105 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 14.589 -63.322 1.839 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 13.734 -62.593 0.793 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 0.857 -56.882 19.373 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 1.511 -56.260 19.759 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 0.032 -56.659 19.816 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 12.604 -48.037 15.324 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 12.934 -47.435 14.633 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 13.096 -47.777 16.127 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 12.688 -49.147 19.766 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 12.298 -48.481 20.371 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 13.094 -48.617 19.055 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 15.993 -47.322 15.657 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 16.739 -47.950 15.763 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 15.860 -47.272 14.686 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 15.407 -51.623 23.706 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 15.766 -50.715 23.753 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 14.705 -51.562 23.029 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 10.887 -55.637 24.579 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 11.440 -55.127 25.216 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 10.986 -56.549 24.860 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 14.878 -53.490 25.633 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 15.012 -52.776 24.969 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 15.666 -54.033 25.555 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 7.869 -50.285 23.686 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 8.197 -49.992 24.555 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 7.448 -49.482 23.311 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 4.261 -49.450 23.918 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 3.737 -48.656 23.712 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 5.181 -49.146 23.864 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 3.186 -35.959 -18.800 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 2.843 -36.377 -19.598 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 3.918 -36.534 -18.526 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 -2.664 -41.566 -22.939 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 -3.499 -41.132 -22.747 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 -2.589 -42.261 -22.251 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.039 -38.241 -18.233 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 4.508 -38.517 -19.006 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 5.445 -39.083 -17.913 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 16.370 -48.323 -16.436 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 17.214 -48.657 -16.801 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 16.597 -47.432 -16.097 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 8.612 -45.343 -14.264 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 8.016 -46.114 -14.297 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 9.362 -45.646 -13.712 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 1.440 -47.294 -19.626 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 0.530 -46.931 -19.524 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 1.513 -47.488 -20.586 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 2.948 -39.193 -19.880 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 2.165 -39.223 -20.476 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 2.593 -39.451 -19.020 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 19.429 -45.526 -11.997 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 18.933 -45.009 -12.667 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 18.858 -45.491 -11.200 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 9.975 -37.711 -15.354 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 9.463 -37.426 -14.575 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 9.755 -38.665 -15.451 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 4.799 -36.917 -15.828 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 4.986 -37.340 -16.691 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 4.050 -37.438 -15.466 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 13.896 -49.515 -16.836 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 13.871 -49.349 -17.784 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 14.748 -49.113 -16.546 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 16.538 -40.035 -12.011 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 16.255 -40.654 -11.314 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 17.331 -40.447 -12.387 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 17.841 -43.875 -13.524 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 18.289 -43.001 -13.545 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 17.189 -43.792 -12.793 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 11.931 -45.623 -15.504 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 11.504 -44.810 -15.815 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 11.478 -45.818 -14.652 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 7.106 -39.164 -20.956 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 6.420 -39.831 -20.756 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 7.501 -39.471 -21.776 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 7.615 -37.157 -19.078 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 6.798 -37.356 -18.595 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 7.609 -37.793 -19.824 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 5.922 -36.656 -13.318 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 6.899 -36.690 -13.285 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 5.705 -36.856 -14.250 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 5.019 -41.000 -20.382 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 4.667 -41.867 -20.703 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.243 -40.407 -20.401 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -2.092 -39.540 -19.361 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 -2.716 -38.795 -19.237 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -2.671 -40.335 -19.367 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 9.270 -35.349 -17.805 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 8.742 -36.000 -18.327 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 9.697 -35.888 -17.120 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 2.856 -47.271 -17.251 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 2.155 -46.947 -16.647 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 2.446 -47.210 -18.143 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 11.944 -48.554 -12.810 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 12.501 -49.364 -12.934 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 11.443 -48.486 -13.648 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 3.775 -43.331 -21.094 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 3.919 -43.993 -21.806 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 2.948 -43.620 -20.671 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 -0.944 -46.032 -19.257 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 -1.243 -45.600 -18.427 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 -1.770 -46.389 -19.650 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 -2.815 -44.943 -25.342 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 -3.032 -44.854 -26.273 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 -2.166 -44.221 -25.174 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 9.955 -43.173 -15.220 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 9.426 -43.907 -14.826 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 10.717 -43.069 -14.604 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 4.667 -49.134 -18.174 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 4.037 -48.497 -17.783 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 4.630 -48.954 -19.120 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 3.614 -45.510 -22.767 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 3.943 -46.389 -22.495 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 2.762 -45.697 -23.195 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.471 -48.343 -15.655 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 12.231 -48.865 -15.973 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 11.754 -47.413 -15.775 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 8.911 -47.385 -16.635 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 8.367 -47.583 -15.847 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 9.777 -47.780 -16.430 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 4.058 -48.199 -22.127 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 3.081 -48.293 -22.155 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 4.382 -48.931 -22.657 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 6.968 -45.491 -17.345 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 7.742 -46.052 -17.103 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 6.805 -45.702 -18.273 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 12.399 -38.000 -11.196 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 13.357 -37.945 -11.326 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 12.298 -38.214 -10.242 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 8.730 -36.591 -13.035 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 8.875 -37.396 -12.488 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 9.547 -36.059 -12.890 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 6.458 -44.177 -11.987 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 6.608 -43.479 -12.662 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 5.978 -44.871 -12.466 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 11.826 -35.876 -16.128 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 11.195 -36.514 -15.717 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 12.355 -36.421 -16.719 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 15.710 -37.653 -10.796 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 15.841 -38.378 -11.444 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 16.475 -37.743 -10.189 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 5.937 -40.805 -17.770 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 5.736 -41.048 -18.698 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 6.433 -41.573 -17.422 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.930 -46.018 -13.040 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 11.271 -45.344 -12.407 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 11.330 -46.856 -12.733 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 12.121 -43.044 -13.523 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 12.990 -43.312 -13.840 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 12.066 -43.434 -12.618 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 1.326 -48.167 -22.251 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 1.020 -47.458 -22.862 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 0.563 -48.782 -22.194 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 9.802 -38.764 -11.772 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 9.856 -39.633 -12.180 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 10.735 -38.516 -11.608 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 9.230 -40.400 -15.603 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 9.591 -41.284 -15.399 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 8.574 -40.567 -16.292 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 7.524 -42.869 -16.561 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 7.247 -43.773 -16.829 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 8.433 -42.993 -16.215 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 4.942 -46.418 -15.623 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 5.565 -45.952 -16.220 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 4.248 -46.765 -16.224 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 6.721 -42.169 -13.950 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 6.863 -42.486 -14.862 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 7.019 -41.253 -13.970 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 7.148 -47.736 -14.537 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.918 -48.672 -14.345 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 6.326 -47.362 -14.916 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 15.672 -34.822 -11.324 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 16.623 -34.567 -11.342 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 15.687 -35.794 -11.236 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 12.990 -41.813 -10.392 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 12.608 -42.701 -10.588 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 12.491 -41.213 -10.956 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 16.157 -43.844 -11.393 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 15.329 -44.354 -11.578 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 15.856 -43.081 -10.863 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 17.073 -46.111 -14.937 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 16.113 -46.098 -14.714 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 17.415 -45.270 -14.562 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 18.079 -50.873 -14.147 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 18.871 -50.387 -13.808 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 17.327 -50.268 -13.948 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 -3.610 -45.582 -22.821 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 -4.519 -45.210 -22.775 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 -3.355 -45.476 -23.769 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 -0.111 -49.248 -16.493 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 -0.244 -49.459 -15.547 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 -0.968 -49.504 -16.918 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 12.754 -30.844 -14.433 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 13.116 -30.949 -13.531 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 12.657 -31.761 -14.757 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 18.473 -51.561 -16.744 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 18.335 -51.352 -15.792 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 18.285 -52.501 -16.808 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 9.794 -32.570 -14.925 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 10.658 -32.948 -14.650 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 9.822 -32.613 -15.900 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 10.705 -32.975 -17.491 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 11.542 -33.252 -17.091 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 10.277 -33.817 -17.756 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 -0.200 -32.605 -16.891 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 0.555 -33.235 -16.863 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 0.227 -31.720 -16.939 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 1.791 -34.528 -16.911 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 2.288 -34.851 -17.696 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 1.382 -35.346 -16.539 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 7.722 -33.168 -18.542 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 7.884 -33.265 -19.488 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 8.204 -33.924 -18.139 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 0.897 -45.904 -23.750 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 0.522 -45.725 -24.620 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 0.667 -45.104 -23.221 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 -0.354 -49.153 -13.688 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 -0.968 -49.608 -13.074 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 -0.475 -48.200 -13.480 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 4.617 -46.428 -12.929 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 3.705 -46.186 -12.726 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 4.655 -46.419 -13.914 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 13.265 -33.823 -12.206 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 14.123 -34.206 -11.910 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 13.328 -32.878 -11.956 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 14.533 -47.911 -11.695 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 13.683 -48.161 -12.101 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 14.485 -46.930 -11.631 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 18.256 -33.976 -10.893 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 19.007 -33.720 -11.435 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 18.390 -33.488 -10.051 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 11.207 -35.715 -12.283 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 11.626 -36.530 -11.941 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 11.896 -35.028 -12.174 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 15.781 -39.461 -8.048 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 15.692 -38.895 -7.270 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 16.569 -39.103 -8.513 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 6.529 -36.027 -7.311 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 5.695 -35.528 -7.460 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 6.238 -36.857 -6.923 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 9.103 -35.126 -7.195 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 8.158 -35.396 -7.161 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 9.441 -35.549 -7.988 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 15.286 -33.943 -8.727 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 14.719 -34.713 -8.512 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 15.436 -34.024 -9.689 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 15.613 -41.581 -9.813 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 15.685 -40.854 -9.154 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 14.639 -41.679 -9.955 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 16.321 -48.835 2.106 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 16.574 -49.141 3.004 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 16.557 -49.591 1.518 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 17.948 -45.163 -9.831 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 17.241 -44.768 -10.390 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 18.204 -44.437 -9.228 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 17.389 -34.314 -6.950 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 18.099 -33.952 -7.505 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 16.618 -34.358 -7.548 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 16.606 -45.364 17.512 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 15.765 -45.187 17.989 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 16.346 -45.964 16.779 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 14.562 -44.741 19.284 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 13.652 -44.695 19.646 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 15.024 -43.989 19.702 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 11.953 -40.335 24.189 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 12.920 -40.187 24.134 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 11.565 -39.451 23.970 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 17.394 -49.421 12.949 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 18.229 -48.988 13.226 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 16.763 -48.674 12.846 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 14.675 -35.910 23.850 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 13.930 -36.146 24.447 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 14.637 -36.588 23.147 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 14.203 -44.813 22.650 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 13.818 -44.263 23.359 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 13.489 -44.875 21.983 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 9.787 -43.830 21.704 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 9.499 -43.334 20.908 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 9.797 -43.148 22.419 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 13.791 -38.060 22.272 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 12.885 -37.971 22.648 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 13.637 -38.360 21.350 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 12.186 -44.982 20.816 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 11.366 -44.515 21.083 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 11.977 -45.930 20.961 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 12.493 -36.574 25.366 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 11.829 -36.119 25.916 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 11.959 -36.988 24.639 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 9.849 -42.004 23.686 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 10.515 -41.302 23.843 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 9.927 -42.586 24.468 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 8.204 -45.695 23.042 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 7.557 -45.020 23.287 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 8.927 -45.189 22.620 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 11.334 -47.504 21.541 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 11.495 -47.581 22.513 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 10.373 -47.503 21.465 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 6.656 -47.942 23.104 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 7.263 -47.168 23.178 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 5.990 -47.660 22.447 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 9.796 -46.545 26.298 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 9.273 -45.919 26.845 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 9.237 -47.351 26.261 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 17.014 -35.412 18.960 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 16.699 -34.879 19.722 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 17.302 -36.264 19.366 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 13.735 -38.291 27.176 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 13.276 -37.808 26.461 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 14.173 -37.584 27.696 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 18.214 -41.097 23.715 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 17.441 -41.481 23.253 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 18.121 -41.410 24.635 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.999 -43.731 24.888 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 15.666 -44.349 25.545 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 16.620 -43.158 25.386 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 18.392 -43.341 18.056 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 18.412 -42.585 17.423 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 17.714 -43.950 17.683 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 15.717 -47.176 12.893 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 14.738 -47.102 12.914 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 16.015 -46.271 12.643 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 16.655 -45.773 22.006 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 17.030 -46.156 22.806 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 15.755 -45.466 22.285 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 14.166 -50.785 21.359 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 13.574 -50.225 20.807 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 14.232 -51.626 20.862 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 14.161 -47.803 17.671 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 14.672 -47.708 18.506 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 14.834 -47.699 16.968 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 17.098 -51.476 9.484 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 16.827 -50.596 9.771 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 16.500 -52.083 9.969 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 3.033 -46.973 23.224 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 3.673 -46.931 22.482 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 2.205 -46.647 22.842 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 16.003 -49.101 22.725 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 15.245 -49.442 22.215 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 16.730 -49.068 22.077 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -0.820 -40.163 29.183 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -0.195 -39.949 28.451 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -0.268 -40.081 29.992 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 1.313 -40.021 30.888 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 1.679 -40.917 30.831 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 1.975 -39.465 30.432 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 8.394 -44.392 27.330 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 7.545 -44.099 26.924 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 9.072 -43.876 26.861 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 10.611 -43.909 25.555 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 10.541 -44.871 25.711 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 11.536 -43.779 25.262 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 3.115 -41.814 29.568 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 3.028 -41.997 28.602 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 3.409 -40.892 29.606 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 18.812 -38.793 22.464 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 18.680 -39.662 22.915 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 18.202 -38.201 22.914 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 9.651 -33.766 24.400 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 9.927 -34.529 23.829 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 8.860 -34.097 24.869 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 13.083 -42.938 24.480 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 12.576 -42.113 24.331 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 13.965 -42.629 24.737 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 11.178 -47.693 24.228 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 11.479 -48.451 24.737 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 10.642 -47.173 24.865 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 4.308 -43.247 24.317 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 4.668 -43.677 23.519 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 3.710 -42.543 23.961 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 5.412 -47.656 27.009 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 5.709 -47.012 27.696 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 4.661 -47.207 26.575 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 4.445 -44.137 30.343 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 4.008 -43.322 30.018 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 4.099 -44.251 31.232 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 3.219 -42.001 26.854 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 3.665 -42.640 26.277 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 2.917 -41.293 26.237 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 6.222 -37.057 28.867 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 5.329 -36.684 29.018 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 6.050 -37.947 28.506 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 8.441 -35.539 28.315 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 8.272 -34.658 28.695 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 7.685 -36.092 28.633 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 14.698 -33.574 27.657 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 15.006 -32.646 27.710 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 13.761 -33.495 27.376 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 11.027 -35.436 27.406 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 11.469 -36.079 27.974 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 10.082 -35.485 27.679 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 14.910 -36.173 28.446 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 14.871 -35.240 28.140 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 15.587 -36.169 29.126 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 15.375 -40.312 26.338 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 15.126 -40.206 25.394 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 14.798 -39.666 26.808 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 7.556 -34.710 25.892 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 7.942 -35.041 26.732 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 7.482 -35.515 25.331 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 1.764 -35.516 31.193 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 1.663 -34.894 31.923 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 1.391 -36.342 31.529 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 3.241 -38.881 29.275 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 4.031 -39.155 28.753 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 3.319 -37.900 29.323 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 8.455 -32.629 28.561 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 7.595 -32.160 28.480 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 8.878 -32.217 29.321 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 3.605 -36.176 29.216 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 3.413 -35.538 28.498 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 3.105 -35.829 29.982 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 8.043 -48.708 26.098 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 7.249 -48.187 25.889 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 7.743 -49.320 26.804 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 4.677 -38.623 25.303 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 4.461 -37.861 24.765 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 3.895 -39.224 25.196 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 7.663 -36.769 24.183 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 7.715 -37.724 24.322 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 8.536 -36.537 23.768 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 12.289 -33.156 26.504 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 11.933 -34.054 26.695 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 11.493 -32.586 26.497 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 5.348 -39.542 27.737 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 5.200 -39.154 26.839 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 5.542 -40.474 27.561 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 5.890 -43.817 26.434 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 5.334 -44.478 26.873 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 5.389 -43.583 25.621 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 14.624 -40.194 23.725 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 15.090 -40.839 23.146 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 14.519 -39.393 23.159 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 5.324 -33.661 27.209 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 5.667 -32.842 27.609 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 6.058 -33.978 26.643 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -0.954 -37.353 27.432 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -0.552 -36.557 27.837 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 -0.207 -37.974 27.343 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 6.351 -50.100 27.747 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 5.672 -50.752 27.564 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 5.905 -49.237 27.594 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 3.183 -46.365 25.893 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 3.300 -46.438 24.922 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 2.488 -46.998 26.093 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 0.534 -35.387 28.671 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.923 -35.345 29.563 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 1.204 -34.954 28.099 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 6.065 -45.647 28.684 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 6.873 -45.134 28.510 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 5.562 -45.100 29.327 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 6.120 -31.242 28.410 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 5.896 -30.654 27.647 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 5.615 -30.875 29.142 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 3.585 -30.767 24.378 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 4.203 -30.690 25.127 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 3.875 -31.582 23.908 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 10.568 -23.033 -19.175 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 9.906 -22.556 -18.662 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 10.163 -23.917 -19.321 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 5.096 -22.043 -16.253 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 4.146 -22.226 -16.149 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 5.391 -22.698 -16.914 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 12.931 -18.155 -19.790 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 12.285 -18.876 -19.608 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 13.536 -18.548 -20.452 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 10.296 -17.420 -16.697 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 9.960 -16.708 -17.292 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 9.882 -18.221 -17.035 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 11.829 -25.056 -15.425 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 11.564 -25.874 -15.899 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 12.061 -24.425 -16.146 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 5.799 -30.061 -18.892 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 5.304 -30.150 -19.712 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 5.596 -30.876 -18.398 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 2.775 -23.485 -16.763 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 3.516 -23.689 -17.371 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 2.820 -24.198 -16.083 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 1.917 -18.843 -23.144 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 1.259 -19.521 -23.317 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 1.901 -18.283 -23.940 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 16.543 -30.083 -19.530 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 15.886 -30.662 -19.929 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 17.298 -30.658 -19.365 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 3.471 -30.415 -16.023 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 3.440 -30.703 -15.102 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 4.062 -31.059 -16.455 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 6.820 -17.480 -21.991 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 6.951 -18.413 -22.183 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 5.885 -17.424 -21.711 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 6.788 -20.549 -14.652 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 6.854 -21.174 -13.915 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 6.280 -21.036 -15.331 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 3.271 -26.158 -18.562 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 2.311 -25.981 -18.595 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 3.370 -26.804 -17.833 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 3.123 -19.913 -15.568 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 3.996 -20.191 -15.879 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 3.034 -18.994 -15.893 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 14.933 -10.335 -20.237 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 15.425 -9.722 -20.796 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 14.582 -11.011 -20.871 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 5.553 -32.229 -17.127 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 6.300 -32.643 -17.621 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 5.090 -32.996 -16.710 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 11.865 -13.963 -21.453 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 11.541 -14.046 -22.374 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 11.236 -13.325 -21.040 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 10.955 -16.392 -20.619 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 11.476 -15.607 -20.892 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 11.632 -17.071 -20.422 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 15.542 -22.994 -17.150 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 15.754 -23.953 -17.287 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 16.245 -22.682 -16.568 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.993 -17.717 -21.688 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 3.291 -18.337 -21.978 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 4.085 -17.098 -22.446 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 5.130 -24.248 -18.072 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 4.518 -24.970 -18.354 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 5.985 -24.515 -18.427 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 4.124 -23.975 -12.918 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 4.896 -23.432 -13.142 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 3.892 -24.428 -13.755 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 8.784 -15.542 -22.114 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.102 -16.252 -22.178 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 9.518 -15.962 -21.619 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 9.766 -17.454 -14.016 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 10.104 -17.358 -14.931 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 9.042 -18.086 -14.098 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 2.789 -17.055 -19.241 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 3.355 -17.427 -19.948 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 2.258 -16.393 -19.691 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 6.934 -11.972 -23.290 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 6.315 -11.267 -23.023 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 7.751 -11.758 -22.819 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 10.313 -13.742 -23.688 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 9.687 -14.286 -23.157 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 10.125 -13.990 -24.600 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 12.533 -22.893 -13.919 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 13.114 -23.299 -13.247 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 12.133 -23.657 -14.384 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 2.621 -17.011 -13.717 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 1.858 -16.518 -13.395 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 2.475 -17.080 -14.681 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 4.279 -34.202 -15.784 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 4.524 -35.154 -15.776 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 3.331 -34.203 -16.036 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 8.944 -30.122 -14.106 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 9.368 -30.856 -14.594 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 8.024 -30.106 -14.449 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 12.850 -26.510 -13.326 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 12.209 -27.256 -13.386 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 12.540 -25.880 -14.010 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 6.385 -28.237 -17.013 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 6.182 -28.807 -17.793 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.298 -27.920 -17.183 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 11.728 -20.575 -19.820 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 11.320 -21.462 -19.775 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 12.426 -20.665 -20.496 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 8.991 -27.852 -17.771 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 9.806 -27.675 -17.254 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 8.994 -28.829 -17.893 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 9.090 -25.407 -19.279 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 9.018 -26.141 -18.635 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 8.993 -25.836 -20.135 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 6.454 -30.406 -15.239 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 6.379 -29.554 -15.717 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 6.204 -31.075 -15.906 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 1.211 -21.827 -15.200 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 1.767 -21.022 -15.307 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 1.657 -22.495 -15.757 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 4.885 -11.914 -20.190 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 5.225 -12.788 -20.455 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 5.311 -11.742 -19.328 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 11.331 -27.586 -16.380 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.923 -28.176 -16.862 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 11.292 -27.972 -15.476 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 16.264 -25.572 -17.316 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 16.269 -26.223 -16.608 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 16.379 -26.107 -18.134 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 15.211 -21.173 -19.186 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 15.725 -20.444 -18.772 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 15.353 -21.933 -18.585 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 0.787 -30.042 -16.620 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 1.751 -30.053 -16.469 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 0.577 -29.089 -16.776 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 2.071 -12.270 -10.993 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 1.340 -12.518 -10.384 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 1.621 -11.999 -11.802 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 1.227 -21.128 -12.497 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 1.245 -21.431 -13.431 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 1.300 -21.942 -11.982 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 1.624 -23.738 -8.953 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 1.866 -24.156 -9.815 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 0.660 -23.905 -8.874 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 11.262 -28.667 -13.861 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 11.826 -29.452 -14.065 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 10.356 -29.042 -13.771 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 16.941 -15.795 -16.011 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 16.648 -15.713 -16.937 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 17.916 -15.715 -16.062 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 13.701 -16.317 -17.900 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 13.394 -16.777 -18.710 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 14.630 -16.074 -18.099 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 16.338 -16.259 -13.439 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 16.860 -17.084 -13.332 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 16.484 -16.005 -14.382 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 16.557 -27.363 -19.364 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 16.925 -27.220 -20.239 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 16.446 -28.338 -19.307 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 12.691 -23.185 -17.227 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 12.241 -23.112 -18.091 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 13.644 -23.169 -17.447 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 3.790 -27.699 -16.363 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 3.547 -28.642 -16.258 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 4.765 -27.720 -16.496 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 0.810 -25.045 -17.878 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 0.052 -24.743 -17.336 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 1.494 -24.366 -17.724 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 14.474 -28.375 -11.968 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 13.764 -27.794 -12.304 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 15.248 -28.131 -12.506 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 9.065 -10.103 -24.402 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 9.060 -9.385 -25.082 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 8.374 -10.714 -24.702 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 -1.839 -30.607 -15.881 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 -1.538 -31.532 -15.916 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 -1.023 -30.090 -16.037 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 5.337 -17.547 -13.759 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 4.379 -17.349 -13.791 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 5.443 -18.313 -14.332 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 9.427 -15.615 -18.497 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 9.838 -15.898 -19.341 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 8.874 -14.847 -18.743 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 5.016 -11.065 -15.799 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 4.956 -10.089 -15.763 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 5.289 -11.319 -14.897 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 8.013 -13.240 -18.947 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 7.451 -13.502 -19.712 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 7.498 -12.523 -18.506 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 4.067 -16.431 -24.095 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 3.291 -16.706 -24.616 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 4.703 -16.136 -24.752 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 10.033 -12.214 -20.522 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 9.278 -12.555 -20.000 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 9.673 -11.411 -20.963 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 9.088 -30.670 -17.869 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 8.352 -31.239 -18.144 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 9.844 -31.282 -17.797 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 12.342 -33.564 -14.775 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.732 -33.781 -13.898 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 12.234 -34.440 -15.212 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 2.907 -21.110 0.568 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 3.219 -22.027 0.734 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 2.291 -20.935 1.309 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 3.222 -20.797 -6.195 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 3.485 -19.953 -5.816 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 2.273 -20.672 -6.423 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 -0.353 -22.898 -5.825 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 0.275 -23.416 -5.280 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 -1.052 -23.542 -6.056 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 9.672 -12.244 -4.933 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 8.922 -12.212 -4.297 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 9.247 -12.080 -5.805 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 9.333 -17.159 -2.389 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 8.369 -17.268 -2.537 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 9.418 -16.248 -2.040 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 1.538 -24.628 -4.777 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 1.486 -25.580 -5.008 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 2.212 -24.274 -5.381 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 4.811 -28.127 -3.570 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 4.276 -28.407 -2.823 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 4.345 -28.503 -4.353 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 3.421 -23.640 1.538 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 3.188 -24.420 1.024 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 3.372 -23.943 2.466 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 10.978 -14.571 -5.425 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.572 -13.748 -5.067 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 10.309 -15.249 -5.269 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 16.121 -22.794 4.031 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 16.336 -21.896 4.361 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 16.796 -22.956 3.339 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 1.308 -21.044 -9.395 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 1.419 -22.009 -9.290 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 0.966 -20.749 -8.527 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 6.587 -17.075 -2.852 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 6.512 -17.518 -3.728 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 5.689 -17.161 -2.465 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 3.995 -19.243 2.331 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 3.989 -19.689 1.464 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 3.230 -19.637 2.801 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 6.666 -16.972 7.334 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 6.361 -16.676 6.452 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 5.844 -17.163 7.814 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 16.190 -31.395 -7.678 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 15.681 -32.147 -8.050 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 16.327 -31.645 -6.735 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 3.286 -23.505 -6.770 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 3.275 -22.549 -6.526 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 2.635 -23.570 -7.512 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 4.536 -16.588 2.562 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 5.484 -16.467 2.349 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 4.394 -17.562 2.494 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 0.661 -17.837 -2.581 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 0.444 -17.395 -1.753 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 1.313 -18.518 -2.325 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 18.085 -16.982 4.611 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 17.542 -17.520 5.222 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 18.392 -16.228 5.172 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 5.885 -11.685 -5.832 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 5.734 -10.717 -5.719 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 6.725 -11.736 -6.338 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 11.610 -15.733 -9.166 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 11.558 -16.315 -9.944 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 11.924 -16.321 -8.452 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 -0.108 -21.887 7.187 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 0.347 -21.321 7.849 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 0.060 -22.802 7.500 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 3.150 -24.711 4.209 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 3.866 -24.345 4.768 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 2.926 -25.554 4.634 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 1.728 -20.769 3.061 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 1.023 -20.332 3.560 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 1.513 -21.726 3.137 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 1.449 -27.214 -5.804 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 2.087 -27.940 -5.580 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 1.630 -27.038 -6.742 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 11.018 -29.015 -7.909 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 10.257 -29.476 -7.510 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 11.682 -28.989 -7.196 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 2.653 -19.585 -1.737 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 2.799 -20.283 -2.386 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 2.730 -20.045 -0.869 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 0.766 -23.347 3.470 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 0.076 -24.019 3.256 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 1.539 -23.878 3.748 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 13.311 -24.140 -7.351 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 13.573 -25.058 -7.205 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 12.589 -24.198 -8.005 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 16.952 -20.275 4.636 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 16.784 -19.552 5.280 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 17.915 -20.447 4.714 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 7.250 -15.758 2.329 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 7.851 -15.372 3.015 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 7.245 -15.101 1.623 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 8.904 -14.764 4.207 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 8.598 -14.175 4.930 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 9.748 -15.121 4.533 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 2.893 -15.939 0.369 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 2.947 -14.958 0.343 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 3.338 -16.180 1.207 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 13.784 -15.602 -2.685 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 14.406 -15.145 -2.086 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 12.970 -15.705 -2.145 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 1.633 -14.568 7.341 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 1.349 -13.673 7.604 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 0.882 -14.921 6.852 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 2.173 -16.675 9.959 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 2.607 -17.046 10.751 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 2.853 -16.736 9.259 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 10.952 -18.959 6.264 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 10.358 -19.679 5.992 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 11.723 -19.054 5.667 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 7.096 -12.053 -10.940 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 6.413 -12.161 -10.265 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 7.936 -12.157 -10.447 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 0.623 -14.251 -5.808 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 -0.196 -14.123 -6.331 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 0.313 -14.683 -4.982 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 0.611 -15.051 -1.016 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 0.842 -14.140 -0.790 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 1.268 -15.585 -0.535 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 14.509 -16.475 0.822 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 13.566 -16.517 1.080 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 14.995 -16.658 1.661 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 15.802 -17.112 3.093 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 15.130 -17.019 3.802 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 16.654 -16.912 3.542 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 16.338 -18.203 6.351 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 16.696 -17.742 7.143 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 15.378 -18.137 6.454 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 13.454 -22.074 -5.580 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 13.417 -22.852 -6.182 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 13.831 -22.432 -4.754 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 13.667 -17.013 4.881 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 12.832 -16.524 5.057 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 13.376 -17.934 4.725 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 15.626 -26.337 -13.651 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 15.875 -25.431 -13.855 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 14.653 -26.308 -13.577 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 16.925 -25.045 -2.294 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 17.753 -25.144 -1.791 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 16.857 -25.862 -2.795 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 14.795 -28.866 -7.599 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 14.049 -28.858 -6.966 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 15.169 -29.760 -7.515 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 -0.562 -26.088 -2.216 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 -0.864 -26.556 -3.021 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 0.108 -25.472 -2.540 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -6.030 -26.879 1.951 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -6.867 -26.822 1.463 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -5.471 -27.468 1.396 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 13.359 -31.006 -11.742 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 12.739 -30.840 -11.019 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 13.922 -30.206 -11.760 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 15.491 -15.860 -4.782 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 16.270 -15.483 -4.315 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 14.787 -15.863 -4.094 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 3.766 -16.306 7.542 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 2.994 -15.694 7.525 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 4.229 -16.124 6.706 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 5.406 -15.873 5.109 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 4.818 -16.121 4.364 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 6.163 -15.450 4.679 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 9.390 -17.653 2.414 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 8.686 -16.995 2.259 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 8.921 -18.423 2.751 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 11.336 -15.555 5.474 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 11.353 -14.633 5.807 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 10.773 -16.031 6.121 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 2.855 -13.268 -0.192 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 3.010 -12.325 -0.095 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 3.313 -13.504 -1.032 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 9.457 -14.557 -1.429 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 8.498 -14.432 -1.604 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 9.810 -13.637 -1.373 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 11.785 -15.886 -0.842 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 11.754 -16.055 0.119 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 10.969 -15.373 -1.022 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 10.340 -11.980 -1.327 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 10.116 -11.263 -0.727 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 10.843 -11.545 -2.043 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 3.941 -17.043 -1.948 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 3.596 -16.698 -1.095 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 3.511 -17.916 -2.041 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 6.502 -18.402 -5.283 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 6.230 -19.187 -5.761 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 7.332 -18.123 -5.726 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 6.808 -14.414 -2.182 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 6.822 -15.346 -2.496 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 5.852 -14.194 -2.142 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 12.750 -28.897 -5.611 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 12.116 -28.623 -4.925 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 13.477 -29.327 -5.107 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 15.227 -16.344 -8.172 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 14.402 -16.019 -7.755 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 15.929 -15.932 -7.650 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 14.448 -15.798 7.353 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 14.529 -15.870 6.387 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 13.940 -16.604 7.610 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 8.916 -20.734 14.295 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 8.185 -20.117 14.490 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 9.623 -20.460 14.891 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 8.961 -22.117 11.949 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 9.888 -22.384 11.891 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 8.881 -21.723 12.854 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 16.479 -20.559 15.147 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 16.515 -20.827 16.084 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 17.277 -20.982 14.749 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 6.195 -23.026 17.376 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 5.460 -22.431 17.635 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 6.790 -23.022 18.158 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 19.734 -27.949 18.290 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 19.352 -27.266 18.881 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 19.885 -27.477 17.453 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 20.321 -24.266 23.263 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 20.552 -24.489 24.171 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 20.105 -23.328 23.295 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 9.384 -19.508 10.970 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 8.504 -19.169 11.184 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 9.329 -20.455 11.173 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 2.538 -23.510 16.879 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 3.014 -22.806 17.373 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 1.906 -23.875 17.535 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 3.972 -21.658 18.375 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 4.137 -21.973 19.287 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.731 -20.715 18.486 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 1.923 -20.057 11.792 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 2.787 -20.509 11.782 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 2.133 -19.153 12.108 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 15.781 -18.958 13.027 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 16.095 -19.458 13.815 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 14.817 -18.872 13.172 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 10.228 -24.101 8.550 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 9.714 -23.899 7.742 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 11.147 -23.889 8.308 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 16.300 -26.780 18.064 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 16.379 -27.063 17.136 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 15.671 -26.028 18.036 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 7.536 -22.354 24.432 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 6.704 -21.931 24.137 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 7.789 -22.927 23.683 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 4.254 -21.545 11.274 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 3.976 -22.371 11.683 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 3.951 -21.628 10.333 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 6.325 -19.525 14.480 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 6.015 -20.368 14.828 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 6.417 -19.680 13.512 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 2.912 -17.100 20.968 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 3.778 -16.684 21.172 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.362 -16.361 20.644 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 3.647 -16.295 24.897 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 3.376 -15.370 25.067 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 4.600 -16.231 24.691 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 18.654 -15.317 6.626 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 18.167 -15.667 7.397 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 19.321 -14.713 7.017 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 5.453 -16.078 21.430 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 5.669 -16.028 22.390 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 6.149 -16.638 21.062 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 2.470 -17.035 16.729 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 1.914 -16.324 16.356 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 3.070 -17.273 15.996 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 15.305 -28.791 25.093 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 15.675 -28.004 24.628 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 15.873 -29.531 24.797 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 7.304 -23.448 19.818 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 6.432 -23.200 20.201 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 7.850 -23.667 20.597 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 5.840 -28.284 16.067 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 5.129 -28.582 16.679 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 5.462 -28.404 15.191 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 7.567 -26.622 24.399 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 6.886 -26.254 23.803 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 7.385 -27.587 24.401 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 4.878 -24.693 15.724 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 5.318 -23.873 16.024 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 3.936 -24.543 15.929 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 8.173 -24.347 10.302 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 8.967 -24.338 9.720 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 8.331 -23.617 10.928 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.620 -24.497 17.968 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 14.304 -24.365 18.897 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 13.810 -24.581 17.457 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 4.090 -20.150 21.196 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 4.255 -19.610 20.404 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 3.125 -20.041 21.357 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 12.949 -17.954 7.944 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 12.508 -17.588 8.734 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 12.225 -18.381 7.447 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 13.296 -21.237 14.944 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 13.174 -20.415 14.425 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 13.834 -20.963 15.694 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 4.580 -17.420 14.861 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 4.996 -16.824 15.522 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 5.234 -18.145 14.752 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 6.648 -20.308 11.883 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 7.259 -21.040 11.704 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 5.775 -20.643 11.585 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 3.315 -18.782 18.811 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 2.943 -18.320 18.029 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 3.069 -18.209 19.564 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 4.855 -22.737 20.821 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 4.687 -21.797 21.052 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 4.559 -23.235 21.622 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 16.876 -17.201 11.177 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 17.241 -16.525 11.758 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 16.394 -17.805 11.785 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 11.590 -18.047 11.627 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 10.835 -18.624 11.376 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 11.562 -17.324 10.970 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 11.280 -16.311 9.437 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 11.583 -15.403 9.252 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 10.557 -16.457 8.792 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 7.625 -14.755 8.673 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 7.561 -14.862 9.625 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 7.296 -15.603 8.312 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 13.792 -28.285 20.157 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 14.438 -28.790 19.617 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 12.923 -28.683 19.933 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 -0.129 -17.987 9.090 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 -0.925 -17.667 9.552 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 0.586 -17.397 9.402 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 6.338 -16.291 24.062 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 7.118 -15.960 24.522 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 6.346 -17.267 24.249 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 9.576 -16.814 7.264 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 9.920 -17.680 6.960 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 8.606 -16.940 7.298 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 16.914 -16.529 8.489 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 16.851 -16.776 9.439 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 16.062 -16.092 8.297 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 -0.574 -21.656 25.536 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 0.151 -21.836 26.179 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 -0.965 -22.536 25.378 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 7.986 -24.360 22.410 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 7.128 -24.833 22.379 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 8.566 -24.959 22.904 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 6.749 -29.172 24.067 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 5.978 -29.043 23.481 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 7.439 -29.556 23.477 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 9.611 -27.327 26.133 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 8.963 -27.042 25.455 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 9.572 -26.635 26.800 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 11.239 -29.538 25.703 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 10.678 -30.306 25.954 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 10.683 -28.754 25.925 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 4.241 -28.376 23.083 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 3.829 -29.237 23.297 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 4.302 -27.921 23.951 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 8.204 -13.340 6.443 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 9.116 -13.016 6.559 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 8.021 -13.838 7.277 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -2.290 -20.041 11.256 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -2.292 -20.469 10.374 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -1.747 -20.630 11.804 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 -1.691 -11.696 12.024 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 -1.601 -10.779 12.373 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 -2.388 -12.099 12.585 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 -0.320 -14.434 12.872 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 -1.214 -14.671 12.546 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 0.229 -14.415 12.058 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 13.090 -18.725 13.778 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 12.589 -18.600 12.933 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 12.863 -17.946 14.298 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 16.351 -22.491 17.131 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 17.224 -22.865 17.378 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 15.706 -23.115 17.527 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 17.506 -24.412 11.172 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 16.797 -24.361 10.515 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 18.092 -23.659 10.955 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 13.365 -24.283 20.363 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 13.580 -25.027 20.970 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 12.648 -23.822 20.804 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 16.575 -33.650 21.003 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 17.524 -33.474 21.145 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 16.133 -33.150 21.696 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 13.691 -26.401 22.054 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 13.187 -26.903 22.728 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 13.765 -27.029 21.295 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 -0.545 -13.917 24.554 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 -0.076 -13.057 24.601 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 -0.044 -14.496 25.158 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 2.394 -13.551 18.332 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 3.288 -13.943 18.382 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 1.813 -14.238 18.717 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 5.412 -16.228 17.191 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 5.436 -15.443 17.769 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.731 -16.788 17.582 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 1.123 -14.218 10.537 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 1.511 -15.084 10.272 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 1.098 -13.705 9.705 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 11.027 -13.039 6.645 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 11.565 -13.364 7.404 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 11.320 -12.129 6.521 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 0.806 -12.215 8.597 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 0.460 -11.384 8.986 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 1.703 -11.961 8.258 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 9.914 -31.854 26.287 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 9.345 -32.190 27.012 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 9.729 -32.465 25.533 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 0.822 -23.405 30.523 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 0.718 -24.059 29.799 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 -0.008 -23.469 31.024 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 7.814 -23.801 26.794 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 6.874 -24.072 26.728 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 8.000 -23.388 25.930 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 15.154 -30.942 26.997 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 15.882 -31.044 26.355 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 15.011 -29.986 27.037 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.428 -23.446 29.730 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 2.568 -23.418 30.203 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 3.576 -22.522 29.460 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 5.414 -29.594 26.371 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 4.981 -28.721 26.266 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 6.103 -29.599 25.671 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 5.625 -25.856 22.591 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 5.051 -26.646 22.551 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 5.009 -25.124 22.858 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 -2.643 -29.178 27.805 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 -2.967 -30.091 27.703 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 -1.692 -29.228 27.569 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 0.399 -25.016 28.380 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 0.899 -25.696 27.876 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 0.336 -24.264 27.759 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 1.950 -26.505 26.734 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 2.134 -26.012 25.905 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 2.761 -26.382 27.266 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 4.043 -25.697 28.399 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 3.754 -24.885 28.888 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 4.433 -26.253 29.079 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 5.103 -24.194 26.390 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 4.734 -24.680 27.159 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 4.479 -24.401 25.657 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 5.910 -20.570 28.885 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 6.661 -21.084 29.226 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 6.178 -20.334 27.980 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 0.935 -19.075 29.276 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 1.629 -19.757 29.312 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 1.345 -18.348 28.773 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 6.322 -18.888 24.650 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 6.769 -19.295 25.424 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 5.834 -19.628 24.244 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 2.223 -17.468 27.337 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 1.834 -18.190 26.794 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 3.018 -17.205 26.848 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 3.236 -20.797 28.734 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 4.125 -20.550 29.078 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 3.389 -20.945 27.778 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 4.782 -27.029 25.409 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 5.601 -26.531 25.558 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 4.121 -26.335 25.154 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 2.612 -18.478 23.569 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 3.011 -17.748 24.092 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 2.725 -18.197 22.646 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 1.329 -22.362 27.291 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 2.158 -22.278 26.777 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 1.558 -22.003 28.165 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 3.873 -21.717 26.211 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 4.455 -22.497 26.326 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 4.201 -21.294 25.396 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 7.446 -20.531 26.540 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 7.611 -21.177 25.823 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 7.898 -20.918 27.317 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 8.348 -21.971 28.742 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 8.193 -22.762 28.175 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 9.118 -22.206 29.269 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 5.095 -21.202 23.653 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 4.708 -20.706 22.902 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 4.740 -22.121 23.541 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.836 -19.107 25.584 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 1.415 -19.071 24.791 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.331 -19.935 25.476 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 12.873 -28.330 23.873 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 12.131 -28.608 24.452 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 13.646 -28.296 24.476 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 14.690 -29.971 22.441 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 15.105 -29.722 21.603 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 14.108 -29.217 22.652 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 0.072 -28.806 26.995 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 0.694 -28.068 27.114 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 0.095 -28.982 26.026 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 1.694 -31.871 26.170 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 2.221 -31.469 25.453 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 1.132 -31.150 26.483 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 3.188 -13.499 25.462 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 2.741 -13.113 26.253 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 4.024 -13.023 25.413 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 9.034 -5.729 -16.423 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 9.966 -5.699 -16.666 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 9.022 -5.443 -15.481 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 3.283 0.210 -17.134 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 2.896 -0.496 -16.566 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 2.987 1.047 -16.716 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 1.150 -3.403 -18.994 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 1.461 -2.474 -19.114 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 1.741 -3.764 -18.299 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 7.550 -1.187 -18.806 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 6.914 -0.832 -18.144 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 8.390 -0.736 -18.589 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 16.163 -9.913 -17.788 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 15.787 -10.237 -18.637 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 17.126 -10.042 -17.890 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 12.315 -9.886 -19.367 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 13.246 -10.056 -19.627 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 12.073 -9.080 -19.868 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 4.363 -7.844 -20.531 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 4.206 -6.931 -20.807 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 3.494 -8.143 -20.182 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 12.760 -8.664 -22.874 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 12.344 -9.547 -22.970 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 12.869 -8.357 -23.782 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 3.228 -4.360 -17.360 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 4.126 -4.130 -17.671 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 3.245 -5.336 -17.281 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 6.458 -1.286 -21.277 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 6.861 -1.189 -20.385 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 7.188 -1.139 -21.882 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 6.478 -11.158 -18.052 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 6.479 -10.191 -18.232 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 5.922 -11.249 -17.240 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 13.641 -11.946 -21.924 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 13.057 -11.552 -22.599 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 13.211 -12.796 -21.706 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 5.724 -3.716 -18.824 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 6.283 -2.951 -19.048 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 5.037 -3.726 -19.530 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 13.686 -8.779 -15.676 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 14.128 -8.276 -16.385 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 12.800 -8.995 -16.054 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 15.545 -1.149 -17.412 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 15.252 -1.412 -16.522 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 15.422 -0.195 -17.432 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 3.783 -1.219 -21.585 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 4.768 -1.209 -21.482 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 3.632 -0.802 -22.444 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 4.886 3.628 -17.866 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 5.651 3.151 -18.262 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 5.270 4.074 -17.076 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 4.077 2.558 -14.086 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 3.577 2.681 -14.925 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 3.385 2.334 -13.432 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 2.711 2.790 -16.391 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 1.939 3.165 -16.839 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 3.471 3.080 -16.945 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 -2.445 -0.050 -16.614 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 -2.886 -0.020 -17.490 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 -1.500 0.132 -16.820 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 0.011 2.421 -18.775 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 0.211 1.647 -18.213 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 0.885 2.839 -18.931 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 5.955 0.069 -17.044 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 4.985 0.098 -17.213 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 6.027 0.174 -16.073 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 0.355 0.041 -14.353 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 0.952 0.674 -13.902 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 -0.540 0.329 -14.091 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 6.715 -13.825 -21.239 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 6.570 -13.303 -22.054 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 7.258 -14.581 -21.537 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 3.577 -3.758 -20.523 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 2.669 -3.781 -20.183 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 3.623 -2.917 -21.024 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 11.877 -7.410 -20.555 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 10.894 -7.320 -20.458 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 11.999 -7.716 -21.479 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 11.323 -9.359 -16.859 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 11.632 -9.552 -17.772 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 10.720 -8.608 -16.968 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 9.229 -7.431 -20.065 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 8.700 -8.219 -20.252 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 8.600 -6.817 -19.629 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 3.306 0.193 -25.582 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 2.628 -0.293 -26.055 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 3.686 0.776 -26.242 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 7.350 -5.981 -18.574 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 7.904 -5.823 -17.772 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 6.792 -5.176 -18.640 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 12.731 -4.700 -15.886 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 13.673 -4.662 -16.151 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 12.319 -5.272 -16.564 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 9.447 0.606 -17.813 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 9.074 0.656 -16.904 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 10.380 0.804 -17.696 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 2.152 -0.935 -19.322 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 2.675 -0.915 -20.151 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 2.698 -0.428 -18.683 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 18.109 -2.204 -15.643 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 18.952 -1.751 -15.800 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 17.870 -2.567 -16.516 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 12.217 -6.570 -17.854 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 11.903 -6.720 -18.766 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 13.152 -6.846 -17.878 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 7.080 2.093 -18.536 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 8.007 1.821 -18.608 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 6.656 1.364 -18.042 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 9.271 -4.866 -13.859 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 8.911 -5.003 -12.959 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 9.583 -3.940 -13.853 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 5.189 -8.338 -15.939 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 5.750 -8.352 -16.740 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 4.359 -7.913 -16.240 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 2.422 3.737 -19.120 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 2.421 4.302 -19.896 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 3.360 3.732 -18.829 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 10.395 -6.030 -26.769 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 10.191 -5.163 -26.401 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 11.066 -5.853 -27.437 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 8.617 -10.190 -21.686 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 7.661 -9.978 -21.619 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 8.855 -9.932 -22.602 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 14.646 -7.284 -20.931 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 13.755 -7.022 -20.629 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 14.479 -7.752 -21.765 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 2.157 -2.035 -16.060 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 2.645 -2.830 -16.351 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 1.484 -2.378 -15.451 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 5.462 -1.515 -12.619 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 5.204 -2.128 -13.338 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 6.392 -1.775 -12.405 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 12.919 -2.872 -13.897 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 13.802 -2.562 -14.200 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 12.663 -3.549 -14.569 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 7.930 -2.462 -12.103 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 8.750 -2.295 -12.607 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 8.056 -3.356 -11.732 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 13.742 -3.427 -11.283 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 13.476 -3.092 -12.167 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 13.857 -2.630 -10.753 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 17.037 -3.294 -18.108 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 17.817 -2.942 -18.604 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 16.435 -2.516 -18.027 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 0.234 0.152 -17.167 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 0.860 -0.384 -17.684 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 0.507 0.009 -16.236 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 14.892 -7.486 -17.986 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 15.421 -8.303 -17.841 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 15.009 -7.296 -18.936 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 1.231 -7.122 -13.982 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 0.796 -7.217 -14.855 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 0.958 -6.234 -13.675 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 6.203 -8.433 -18.543 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 5.533 -8.306 -19.249 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 6.680 -7.572 -18.512 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 -0.760 -5.238 -19.733 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 0.050 -4.714 -19.555 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 -1.483 -4.610 -19.575 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 1.997 -8.668 -19.366 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 1.914 -9.620 -19.504 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 1.067 -8.354 -19.290 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 1.692 1.976 -12.768 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 1.352 2.823 -12.458 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 1.444 1.341 -12.052 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 5.739 4.427 -15.382 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 5.995 5.162 -14.820 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 5.275 3.813 -14.779 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 18.997 -9.888 -17.335 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 19.922 -10.211 -17.310 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 18.946 -9.369 -18.170 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 11.466 -11.103 -23.500 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 11.193 -12.039 -23.563 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 10.685 -10.609 -23.834 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 5.861 -9.884 -21.708 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 5.382 -9.065 -21.466 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 5.419 -10.585 -21.174 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 8.891 -8.276 -26.392 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 9.482 -7.494 -26.471 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 8.238 -8.148 -27.085 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 3.773 -10.395 -12.251 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 3.386 -11.081 -11.669 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 4.536 -10.838 -12.669 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 11.875 -16.517 1.881 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 11.037 -17.017 2.023 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 11.926 -15.926 2.643 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 7.909 -6.766 -6.259 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 7.992 -6.687 -5.279 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 7.831 -5.841 -6.569 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 8.329 -5.064 -11.301 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 7.485 -5.542 -11.151 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 8.861 -5.258 -10.499 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 9.734 -5.464 -8.963 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 8.981 -5.077 -8.458 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 10.518 -5.155 -8.492 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 5.217 -4.583 -8.983 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 4.446 -5.146 -9.211 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 5.004 -3.718 -9.390 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 10.191 -2.246 -13.699 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 11.162 -2.381 -13.729 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 10.053 -1.403 -14.154 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 3.505 -14.095 -9.479 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 2.810 -14.456 -8.882 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 3.015 -13.504 -10.089 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 5.823 -7.395 -8.133 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 6.662 -7.301 -7.643 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.708 -6.537 -8.574 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 4.494 -11.605 -8.363 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 4.206 -12.481 -8.680 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 4.890 -11.784 -7.489 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 8.080 -6.983 -3.536 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 8.294 -7.917 -3.293 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 8.008 -6.533 -2.689 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 9.992 -8.215 -9.360 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 9.801 -8.659 -8.506 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 9.888 -7.265 -9.162 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 9.552 -12.112 -9.571 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 10.110 -12.079 -10.371 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 10.145 -12.502 -8.886 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 15.979 -8.927 -12.741 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 16.669 -8.374 -12.319 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 16.272 -8.998 -13.672 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 0.881 -4.676 -12.790 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 1.291 -4.174 -12.049 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 0.627 -3.983 -13.433 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 6.004 0.613 -14.324 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 5.781 -0.038 -13.625 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 5.341 1.331 -14.202 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 1.901 -3.328 -10.623 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 2.731 -2.822 -10.478 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 1.217 -2.814 -10.136 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 9.414 -8.988 -6.819 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 8.930 -8.193 -6.504 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 10.237 -8.988 -6.304 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 5.757 -8.971 -5.767 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 6.292 -8.276 -5.365 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 5.493 -8.601 -6.626 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 8.748 -9.508 -2.792 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 8.204 -10.312 -2.905 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 9.658 -9.805 -2.985 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 3.812 -8.924 -9.428 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 4.492 -8.385 -8.972 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 3.983 -9.837 -9.114 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 -0.097 -1.932 -9.361 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 -0.770 -1.677 -10.028 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 -0.608 -2.099 -8.560 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 2.893 -5.751 -9.915 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 2.126 -6.334 -9.742 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 2.487 -4.881 -10.132 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 4.066 -14.235 -2.437 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 3.656 -13.843 -3.249 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 3.921 -15.198 -2.540 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 4.363 -2.204 -10.215 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 4.714 -2.005 -11.115 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 4.491 -1.383 -9.728 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 8.632 0.862 -15.175 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 7.701 0.679 -14.916 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 8.827 1.707 -14.761 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 7.585 -4.375 -7.659 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 7.535 -3.490 -7.277 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 6.736 -4.469 -8.157 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 15.709 -5.557 -10.970 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 15.955 -5.687 -11.914 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 15.206 -4.721 -10.969 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 5.427 -12.683 6.788 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 5.126 -13.520 6.421 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 6.395 -12.709 6.677 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 0.646 0.329 -10.921 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 -0.219 -0.043 -11.183 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 0.924 -0.228 -10.180 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 13.913 -6.558 -9.069 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 14.641 -6.189 -9.602 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 14.242 -7.417 -8.782 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 15.437 -2.604 -14.951 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 15.460 -3.474 -15.398 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 16.377 -2.329 -14.917 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 13.171 -10.527 -8.824 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 13.568 -11.386 -8.569 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 13.906 -10.041 -9.251 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 14.973 -10.521 -6.292 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 14.839 -11.353 -6.784 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 14.079 -10.269 -6.007 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 14.603 -12.748 -7.947 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 15.447 -13.215 -8.090 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 14.040 -13.410 -7.484 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 -0.032 -13.248 -9.521 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 -0.224 -13.688 -8.669 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 -0.732 -12.566 -9.597 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 11.225 -10.523 -3.553 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 10.786 -11.194 -4.122 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 11.859 -10.090 -4.147 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 2.884 -13.185 -4.635 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 2.081 -13.494 -5.108 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 3.235 -12.484 -5.196 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 1.676 -15.515 -7.998 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 0.953 -16.166 -8.111 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 1.484 -15.094 -7.133 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 7.411 -11.966 -3.430 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 7.199 -12.768 -2.906 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 6.715 -11.939 -4.119 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 12.073 -10.206 -6.330 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 12.382 -10.066 -7.254 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 11.597 -11.047 -6.370 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 11.249 -13.340 -7.869 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 11.201 -13.696 -6.962 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 11.407 -14.135 -8.426 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 8.299 -11.452 -7.156 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 8.578 -10.510 -7.079 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 8.600 -11.716 -8.048 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 3.260 -11.390 7.848 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 3.559 -10.483 7.956 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 4.047 -11.860 7.481 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 12.735 -14.035 8.528 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 13.234 -13.630 9.245 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 13.389 -14.626 8.083 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 1.305 -4.357 22.987 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 0.517 -4.930 22.811 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 1.276 -4.212 23.951 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 0.981 -6.746 13.909 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 1.342 -6.852 14.809 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 0.107 -6.325 14.050 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 -0.907 -8.834 18.322 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 -0.959 -9.007 17.365 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 0.029 -9.015 18.546 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 1.446 -14.939 14.940 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 0.772 -14.901 14.232 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 1.919 -14.090 14.862 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 0.989 -11.779 16.487 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 1.558 -11.911 15.697 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 1.427 -12.308 17.184 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 1.876 -9.078 18.585 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 2.578 -8.465 18.898 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 2.121 -9.940 18.984 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 4.953 -14.392 19.242 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 5.343 -13.532 19.443 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 5.094 -14.916 20.058 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 -0.868 -5.874 22.552 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 -1.683 -5.427 22.268 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 -1.117 -6.817 22.606 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 -4.354 -3.949 24.314 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 -3.559 -4.150 24.873 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 -4.881 -3.356 24.860 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 2.713 -11.292 19.963 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 2.107 -11.403 20.729 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 2.602 -12.118 19.447 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 1.154 -5.455 19.163 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 1.653 -5.894 19.879 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 1.173 -4.505 19.415 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 1.287 -8.812 22.504 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 0.404 -8.436 22.317 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 1.175 -9.777 22.317 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 0.312 -7.497 11.366 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 0.808 -7.189 12.159 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -0.237 -6.720 11.113 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 -0.112 -9.274 15.645 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 0.488 -8.547 15.908 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 0.300 -10.078 16.024 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 2.358 -12.320 14.230 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 1.850 -12.103 13.412 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 3.254 -12.027 14.032 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 3.952 -7.424 19.215 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 3.618 -6.843 19.935 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 4.416 -6.821 18.622 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 -1.479 -8.576 22.381 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 -1.449 -9.500 22.048 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 -2.362 -8.254 22.109 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 0.587 -4.891 25.655 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 0.650 -5.807 25.296 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 1.133 -4.911 26.450 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 3.138 -6.983 26.620 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 2.421 -7.080 25.964 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 3.914 -6.700 26.085 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 2.844 -6.032 21.319 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 3.241 -6.697 21.919 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 2.412 -5.392 21.924 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 4.841 -9.668 20.578 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 4.708 -8.929 19.955 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 4.147 -10.315 20.335 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 1.060 -7.454 24.902 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 1.233 -7.770 23.993 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 0.660 -8.230 25.349 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 3.952 -8.143 22.707 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 4.437 -8.726 22.082 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 3.035 -8.500 22.703 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 1.128 -11.756 24.551 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 1.936 -12.298 24.586 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 0.992 -11.585 23.585 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 4.935 -6.459 24.647 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 5.733 -6.105 24.249 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 4.595 -7.093 23.980 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 1.409 -3.086 20.580 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 1.354 -3.492 21.473 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 1.789 -2.219 20.740 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 -2.032 -10.849 24.341 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 -1.603 -9.979 24.377 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 -1.859 -11.160 23.423 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 -1.079 -9.227 13.035 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 -0.685 -9.198 13.938 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 -0.523 -8.612 12.512 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 1.038 -11.850 11.923 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 0.065 -11.866 12.064 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 1.218 -12.669 11.418 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 2.240 -11.996 27.542 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 2.559 -11.087 27.718 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 1.358 -12.023 27.964 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 2.506 -9.268 27.985 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 2.872 -8.505 27.477 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 2.349 -8.909 28.865 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 -0.214 -11.802 28.853 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 -0.188 -12.519 29.497 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 -0.929 -11.213 29.179 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 -1.401 -8.463 27.864 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 -1.936 -7.881 27.286 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 -0.765 -8.887 27.252 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 -1.974 -12.323 26.674 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 -1.922 -11.707 25.915 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 -1.320 -11.977 27.308 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 0.377 -9.748 26.232 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 0.593 -10.514 25.649 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 1.101 -9.740 26.892 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 23.220 -51.197 -8.894 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 23.921 -51.824 -8.634 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 23.274 -50.489 -8.211 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 21.540 -54.055 -4.015 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 21.430 -53.084 -3.882 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 22.315 -54.126 -4.619 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 17.774 -54.601 -7.754 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 18.336 -54.773 -6.970 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 17.597 -53.636 -7.711 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 21.721 -54.393 3.628 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 22.555 -53.887 3.484 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 21.343 -54.483 2.731 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 23.956 -52.898 3.134 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 24.479 -52.471 2.440 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 23.629 -52.147 3.684 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 17.419 -51.926 -7.325 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 17.741 -51.404 -8.098 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 17.884 -51.529 -6.562 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 17.883 -57.667 -7.112 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 18.610 -57.271 -7.608 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 17.102 -57.501 -7.662 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 21.805 -55.460 -1.622 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 21.775 -54.915 -2.440 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 21.352 -56.294 -1.879 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 19.026 -56.617 1.921 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 18.987 -57.133 2.731 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 18.129 -56.728 1.521 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 22.988 -50.795 4.582 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 22.380 -50.105 4.248 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 23.686 -50.290 5.051 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 20.397 -57.558 -2.713 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 19.549 -57.396 -3.179 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 20.790 -58.294 -3.190 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 21.141 -49.193 -5.337 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 20.877 -48.260 -5.212 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 20.323 -49.632 -5.634 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.783 -54.778 0.952 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 20.149 -55.483 1.232 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 21.085 -55.066 0.067 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 21.115 -56.103 5.637 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 21.278 -55.522 4.854 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 21.991 -56.239 6.015 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 19.452 -55.004 -5.573 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 19.093 -55.765 -5.074 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 20.166 -54.654 -4.993 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 17.992 -60.454 4.864 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 18.682 -59.812 5.141 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 18.484 -61.159 4.435 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.458 -53.878 -5.943 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 24.200 -53.586 -6.502 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 22.692 -53.911 -6.562 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 25.469 -51.417 1.065 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 24.531 -51.416 0.765 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 25.960 -51.732 0.296 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 23.479 -49.615 -6.716 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 22.646 -49.357 -6.274 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 23.981 -50.081 -6.022 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 21.243 -53.856 -7.499 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 20.833 -53.281 -8.168 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 20.490 -54.250 -7.027 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 21.443 -51.364 -3.678 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 21.535 -50.922 -2.812 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 21.475 -50.631 -4.325 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 17.902 -52.921 7.220 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 18.638 -52.669 6.622 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 17.856 -52.188 7.868 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 17.540 -57.100 6.307 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 18.099 -56.547 6.896 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 18.133 -57.825 6.035 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 19.807 -58.580 5.692 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.252 -57.718 5.547 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 20.348 -59.011 6.398 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 15.749 -56.146 -8.638 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 16.505 -55.559 -8.392 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 15.629 -55.992 -9.592 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.216 -57.254 -4.415 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 17.290 -57.265 -4.098 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 18.152 -57.569 -5.345 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 19.244 -55.399 7.554 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 18.936 -54.487 7.393 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 19.960 -55.532 6.896 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 22.930 -51.868 0.318 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 22.173 -51.924 0.944 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 23.171 -52.810 0.146 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 20.513 -52.124 1.585 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 20.012 -51.553 0.943 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.414 -53.032 1.231 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 23.794 -54.422 -0.033 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 23.179 -54.861 -0.661 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 23.851 -55.033 0.707 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 18.389 -50.302 -9.231 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 18.706 -49.374 -9.180 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 19.210 -50.828 -9.349 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 20.665 -51.828 -9.542 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 20.717 -51.641 -10.487 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 21.578 -51.645 -9.212 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 17.307 -53.696 15.007 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 17.416 -52.927 15.607 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 17.385 -53.309 14.112 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 14.885 -53.790 17.716 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 14.803 -53.673 18.690 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 14.723 -54.747 17.574 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 21.408 -59.499 7.669 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 21.109 -59.050 8.495 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 22.080 -60.116 7.967 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 17.450 -51.967 21.742 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 16.814 -51.892 22.474 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 17.382 -52.904 21.463 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 20.558 -58.339 9.988 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 20.398 -57.374 10.089 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 19.938 -58.743 10.598 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 19.344 -52.743 10.370 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.032 -52.481 9.726 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 18.530 -52.322 10.028 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 15.480 -53.985 8.137 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 15.579 -53.935 9.115 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 16.312 -53.589 7.795 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 15.576 -50.597 14.767 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 16.261 -50.897 15.400 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 16.086 -50.237 14.021 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 19.306 -52.661 18.110 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.889 -53.489 18.409 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.166 -52.639 18.583 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 21.636 -52.564 19.555 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 21.875 -53.123 20.300 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 22.012 -51.706 19.771 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 17.656 -52.283 12.599 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 18.452 -52.444 12.052 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 17.638 -51.310 12.717 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 19.645 -55.705 10.236 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.470 -55.668 9.272 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 19.603 -54.775 10.519 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 19.205 -41.503 -13.190 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 19.593 -40.834 -13.761 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 19.982 -42.024 -12.867 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 19.614 -47.224 -15.051 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 18.739 -46.799 -14.940 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 19.478 -47.856 -15.787 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 14.160 -36.533 -8.738 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 14.663 -36.978 -9.448 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 13.499 -37.188 -8.470 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 21.406 -43.017 -12.626 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.656 -43.750 -13.217 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 21.667 -43.329 -11.738 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 21.584 -44.723 -10.396 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 20.778 -45.012 -10.864 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.400 -44.927 -9.453 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 21.495 -45.648 -13.733 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 21.093 -46.158 -14.463 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 20.797 -45.637 -13.042 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 19.039 -48.954 -17.129 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 18.891 -49.928 -17.047 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 19.684 -48.875 -17.841 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 20.072 -49.343 -13.205 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 20.609 -49.176 -12.405 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 20.073 -48.489 -13.679 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 21.383 -34.494 -1.670 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 20.458 -34.494 -2.010 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 21.484 -35.379 -1.262 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 22.144 -47.312 -1.993 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 21.753 -48.196 -1.890 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 22.807 -47.261 -1.272 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 23.461 -41.988 -1.869 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 24.292 -42.481 -1.757 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 22.790 -42.685 -1.986 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 18.179 -43.460 1.598 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 17.470 -42.852 1.864 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 18.082 -43.532 0.618 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 22.396 -35.344 1.450 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 22.192 -35.848 2.272 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.030 -35.905 0.733 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 23.093 -36.716 -3.708 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 22.404 -37.414 -3.739 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 22.665 -35.945 -4.085 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 24.200 -49.737 -2.687 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 23.346 -49.842 -2.229 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 24.408 -48.801 -2.584 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 24.573 -36.931 -1.427 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 24.218 -36.748 -2.325 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 24.331 -37.864 -1.267 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 19.033 -41.332 -2.130 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 19.407 -42.128 -1.686 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 18.410 -41.694 -2.773 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.642 -34.611 -0.028 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 24.797 -35.493 -0.445 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 23.907 -34.775 0.601 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 19.381 -38.718 -1.445 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 19.291 -39.689 -1.609 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 18.490 -38.438 -1.197 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 22.589 -31.835 8.892 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 23.465 -32.172 9.195 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 21.953 -32.426 9.320 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 23.062 -39.274 -1.603 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 22.537 -39.148 -2.413 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 23.248 -40.242 -1.587 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 14.951 -35.270 -0.811 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 14.285 -35.980 -0.585 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 15.162 -34.864 0.052 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.766 -34.498 -2.451 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 17.864 -34.799 -2.638 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 18.654 -33.573 -2.169 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 21.773 -50.034 -1.318 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 22.312 -50.620 -0.736 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 20.873 -50.046 -0.895 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.846 -47.789 1.587 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 17.962 -48.190 1.715 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 19.386 -48.515 1.237 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 22.237 -44.536 -2.098 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 21.338 -44.249 -1.804 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 22.154 -45.508 -2.205 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 17.908 -42.649 -8.601 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 17.213 -42.266 -9.167 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 17.412 -43.069 -7.866 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 24.926 -44.428 -1.613 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 25.145 -45.319 -1.327 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 23.967 -44.472 -1.819 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 19.948 -40.800 -5.142 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 19.195 -41.377 -4.898 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 20.724 -41.275 -4.816 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 22.819 -46.897 -11.645 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 22.646 -46.519 -12.528 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 22.752 -46.133 -11.043 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 21.595 -37.071 3.407 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 21.859 -37.914 3.027 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 20.946 -37.314 4.099 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 23.982 -47.395 0.023 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 23.379 -47.062 0.727 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 24.600 -47.962 0.493 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 21.489 -37.091 -0.553 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 22.203 -37.714 -0.801 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 20.666 -37.578 -0.774 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 17.962 -38.395 -9.337 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 18.416 -39.053 -8.750 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 18.682 -37.986 -9.828 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 25.903 -32.177 -0.358 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 26.459 -32.070 0.417 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 25.494 -33.061 -0.240 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 24.702 -31.811 -4.308 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 24.373 -32.492 -3.672 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 25.294 -32.299 -4.889 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 19.049 -40.283 -7.771 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 18.832 -41.199 -8.050 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 19.440 -40.391 -6.882 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 25.339 -52.387 -7.373 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 25.207 -51.887 -6.538 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 26.287 -52.347 -7.526 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 20.777 -45.778 -7.939 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 20.800 -45.878 -6.979 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 20.338 -46.590 -8.254 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 21.115 -38.639 -3.604 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 20.468 -38.572 -2.870 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 20.682 -39.232 -4.247 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 21.118 -37.177 7.575 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 20.695 -37.425 6.729 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 21.439 -36.282 7.426 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 19.758 -37.948 5.280 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 19.443 -38.728 5.790 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 18.948 -37.409 5.139 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 19.185 -40.125 6.957 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 19.629 -40.976 7.029 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 18.752 -40.012 7.824 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 20.742 -44.496 1.201 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 20.640 -44.316 0.243 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 19.985 -44.040 1.604 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.387 -46.515 2.119 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 22.946 -45.974 2.722 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 21.732 -45.870 1.758 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 26.453 -50.685 3.498 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 26.767 -51.567 3.719 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 26.094 -50.780 2.590 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 23.987 -44.977 3.737 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 24.344 -44.168 3.358 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 24.476 -45.092 4.558 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 19.743 -50.890 3.838 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 20.316 -50.094 3.805 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 19.973 -51.381 3.013 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 21.340 -48.657 3.764 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 20.651 -48.154 4.245 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 21.694 -48.014 3.114 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 25.171 -49.480 5.575 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 25.628 -49.822 4.773 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 25.882 -49.305 6.194 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 18.650 -32.444 -8.646 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 17.813 -31.967 -8.486 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 19.306 -31.958 -8.107 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 15.918 -33.654 -2.750 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 15.130 -33.073 -2.735 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 15.705 -34.357 -2.088 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 18.238 -45.717 3.203 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 18.372 -44.842 2.784 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 18.667 -46.352 2.580 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 20.373 -31.211 3.687 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 19.979 -31.755 4.393 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 21.129 -31.736 3.371 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 23.860 -33.656 -2.527 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 22.951 -34.012 -2.419 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 24.365 -34.074 -1.803 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 25.356 -30.149 -2.142 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 25.268 -30.595 -3.005 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 25.660 -30.857 -1.536 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 19.317 -47.725 -9.293 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 19.951 -47.904 -10.012 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 18.804 -46.955 -9.608 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 24.644 -51.355 -4.871 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 24.053 -52.113 -4.726 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 24.583 -50.837 -4.034 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 16.615 -32.443 -5.138 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 16.996 -33.201 -5.639 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 16.416 -32.823 -4.252 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 21.519 -49.091 -10.834 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 22.121 -49.637 -10.307 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 22.078 -48.328 -11.124 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 17.492 -49.509 4.462 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 18.170 -50.181 4.242 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 18.011 -48.747 4.783 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 20.222 -52.799 5.680 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 20.062 -52.038 5.071 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 20.808 -53.387 5.169 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 17.490 -39.724 18.348 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 16.697 -40.289 18.244 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 18.123 -40.089 17.704 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 17.831 -33.740 17.078 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 17.844 -32.838 17.416 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 17.536 -34.284 17.852 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 20.061 -45.240 16.820 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 19.721 -45.976 17.367 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 19.732 -44.441 17.267 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 24.863 -42.546 15.105 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 24.865 -42.988 15.960 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 24.061 -42.894 14.657 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 18.657 -47.136 18.313 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 18.452 -47.684 19.092 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 17.877 -46.549 18.222 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 25.847 -40.769 13.297 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 25.529 -41.347 14.033 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 26.804 -40.774 13.392 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 21.276 -39.885 16.317 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 21.574 -40.025 17.251 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 22.011 -40.210 15.785 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 24.029 -42.252 11.776 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 23.772 -41.643 11.055 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 24.753 -41.786 12.232 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 19.537 -41.609 19.969 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 18.724 -41.318 20.405 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 19.236 -42.284 19.330 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 17.935 -37.699 20.068 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 17.780 -38.436 19.433 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 18.317 -38.137 20.853 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 21.881 -40.549 18.841 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 22.132 -40.079 19.658 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 21.105 -41.079 19.106 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 22.598 -43.405 13.766 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 23.093 -43.146 12.953 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 21.770 -42.874 13.720 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 16.840 -43.527 20.377 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 17.473 -43.538 19.635 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 16.987 -44.384 20.833 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 18.359 -48.729 16.063 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.944 -48.458 15.325 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 18.678 -48.207 16.828 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 19.197 -47.393 5.124 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 19.114 -46.900 5.946 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 18.837 -46.781 4.440 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 20.215 -42.113 13.485 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 19.575 -42.816 13.341 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 19.673 -41.295 13.490 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 23.393 -40.298 9.950 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 23.511 -40.678 9.054 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.532 -39.835 9.899 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 18.847 -41.176 16.389 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 19.778 -40.869 16.432 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 18.549 -40.901 15.498 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 19.203 -38.220 15.549 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 20.012 -38.653 15.895 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 18.865 -38.856 14.874 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 15.999 -42.194 22.557 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 15.887 -42.945 23.178 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 16.222 -42.623 21.699 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 22.345 -36.950 11.683 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 21.673 -37.318 12.288 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 23.154 -37.485 11.869 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 18.832 -40.666 9.737 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 19.402 -39.915 9.969 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 18.202 -40.741 10.508 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 24.338 -38.781 12.049 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 24.891 -39.373 12.597 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 24.132 -39.316 11.256 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 19.800 -33.353 11.683 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 19.680 -32.915 12.562 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 19.289 -32.802 11.077 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 21.216 -39.743 21.373 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 20.671 -40.470 21.025 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 20.583 -39.185 21.858 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 19.950 -38.282 12.392 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 20.192 -38.722 11.561 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 19.371 -38.936 12.852 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 22.258 -34.336 10.783 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 21.421 -34.019 11.180 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 22.312 -35.279 11.057 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 21.089 -38.682 9.845 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 21.571 -38.008 10.367 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 21.006 -38.271 8.952 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 20.815 -42.328 8.916 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 20.039 -41.819 9.246 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 21.129 -42.808 9.692 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 18.817 -31.733 22.992 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.036 -32.420 22.327 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 19.633 -31.234 23.091 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 22.894 -41.323 7.454 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 22.152 -41.797 7.890 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 22.469 -40.788 6.780 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 24.622 -33.108 10.151 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 23.832 -33.595 10.479 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 25.365 -33.609 10.491 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 16.032 -44.498 12.309 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 16.764 -43.939 12.019 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 15.295 -43.879 12.422 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 20.904 -45.655 14.240 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 20.658 -45.460 15.174 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 21.577 -44.978 14.025 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 15.452 -47.243 19.972 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 16.004 -47.091 20.761 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 15.078 -46.359 19.773 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 15.221 -33.505 24.914 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 15.097 -34.362 24.428 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 15.154 -33.758 25.856 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 19.373 -33.625 21.085 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 19.534 -34.559 21.277 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 19.749 -33.499 20.181 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 18.252 -30.122 17.575 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 18.820 -29.369 17.848 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 18.879 -30.754 17.159 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 20.448 -33.562 18.604 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 20.595 -34.381 18.120 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 20.258 -32.900 17.902 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 18.996 -35.739 12.889 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 19.360 -35.083 12.264 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 19.381 -36.594 12.596 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 19.749 -48.075 13.740 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 20.025 -47.130 13.823 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 20.568 -48.539 13.535 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 20.740 -51.683 8.156 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 21.410 -51.013 7.992 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 20.655 -52.150 7.299 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 23.328 -29.256 12.319 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 22.744 -29.998 12.601 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 23.642 -28.871 13.167 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 17.514 -41.918 26.273 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 16.741 -41.300 26.359 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 18.076 -41.696 27.023 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 16.678 -31.241 24.668 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 16.324 -32.157 24.707 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 17.449 -31.310 24.059 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 19.484 -21.410 -15.576 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 19.269 -21.040 -14.701 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 19.570 -22.374 -15.410 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 21.464 -11.264 -17.187 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 21.923 -11.552 -17.985 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 21.160 -12.098 -16.771 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 16.717 -19.325 -17.882 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 16.893 -18.387 -18.045 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 17.608 -19.718 -17.785 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 16.338 -15.925 -18.755 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 17.204 -16.396 -18.720 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 16.382 -15.417 -19.574 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 19.428 -19.887 -17.776 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 19.467 -20.399 -16.929 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.123 -20.277 -18.317 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 18.698 -21.048 -12.961 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 17.992 -21.737 -13.000 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 19.401 -21.460 -12.414 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 18.403 -25.247 -12.503 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 18.038 -26.128 -12.298 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 19.164 -25.158 -11.893 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 18.664 -17.259 -18.243 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 19.046 -18.161 -18.191 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 19.143 -16.758 -17.551 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 17.933 -27.781 -10.816 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 18.082 -28.610 -10.315 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 17.028 -27.511 -10.560 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 18.202 -29.432 -8.584 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 17.361 -29.840 -8.310 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 18.870 -29.849 -8.002 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 14.059 -20.148 -21.395 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 14.549 -20.593 -20.662 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 14.468 -20.492 -22.196 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 19.413 -24.020 -14.798 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 19.416 -24.699 -15.478 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 19.042 -24.468 -14.012 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 17.515 -18.609 -12.875 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 17.900 -18.319 -12.042 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 17.994 -19.442 -13.086 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 19.697 -15.784 -16.089 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 20.239 -16.299 -15.481 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 20.006 -14.858 -15.961 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 21.094 -22.156 0.797 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 20.781 -23.083 0.823 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 20.294 -21.640 0.582 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 14.628 -23.565 -3.039 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 15.559 -23.778 -2.827 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 14.140 -24.340 -2.749 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 15.729 -18.623 -0.532 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 16.120 -19.016 0.270 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 15.381 -17.763 -0.230 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 20.163 -30.610 -3.944 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 20.226 -29.753 -3.479 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 19.835 -31.225 -3.268 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 20.219 -24.857 0.946 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 19.956 -25.378 0.162 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 19.615 -25.164 1.652 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 19.308 -26.446 -1.408 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 18.853 -27.282 -1.151 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 20.022 -26.743 -2.001 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 16.538 -17.418 -10.295 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 17.004 -16.618 -10.625 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 16.023 -17.089 -9.521 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 22.736 -29.584 -1.560 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 23.696 -29.588 -1.774 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 22.602 -30.415 -1.065 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.470 -24.897 2.614 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 21.658 -24.821 2.074 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 23.121 -25.315 2.005 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 17.292 -25.093 -9.201 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 18.044 -25.641 -8.908 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 16.561 -25.735 -9.318 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 16.804 -19.405 1.906 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 16.527 -18.522 2.228 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 16.840 -19.947 2.716 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 15.381 -14.421 -0.790 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 15.132 -15.153 -0.179 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 15.132 -13.620 -0.313 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 20.345 -18.362 3.875 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 19.547 -17.847 4.123 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.860 -17.754 3.339 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 22.542 -32.137 -0.526 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 23.352 -32.370 -1.012 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 21.902 -32.830 -0.790 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 23.768 -21.910 1.330 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 22.819 -22.134 1.189 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 23.873 -21.059 0.902 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 24.305 -26.332 1.187 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 24.963 -26.302 1.901 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 24.691 -26.921 0.530 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 18.303 -28.942 -1.003 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 17.760 -29.212 -0.233 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 18.474 -29.770 -1.467 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 14.268 -23.656 -11.905 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 14.081 -24.391 -11.305 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 14.044 -22.853 -11.382 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 19.573 -26.726 -8.908 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 19.092 -27.177 -9.638 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 19.663 -27.410 -8.230 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 20.603 -25.040 -10.820 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 21.384 -25.527 -11.111 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 20.288 -25.539 -10.031 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 19.671 -20.929 4.353 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 20.457 -21.348 4.726 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 19.962 -20.003 4.161 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 21.085 -28.040 -3.043 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 21.603 -28.059 -3.854 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 21.672 -28.468 -2.373 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 25.848 -23.263 2.497 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 25.010 -22.945 2.082 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 26.449 -22.521 2.405 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 18.674 -20.775 0.321 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 18.096 -20.181 0.847 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 18.420 -20.602 -0.593 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 18.740 -25.083 3.334 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 18.653 -24.158 3.022 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 19.196 -25.004 4.198 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 24.318 -24.577 9.193 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 23.775 -23.860 8.800 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 23.768 -25.386 9.067 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 21.101 -23.031 -6.032 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 21.837 -22.919 -5.419 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 20.668 -23.841 -5.738 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 18.632 -18.969 -6.588 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 19.080 -19.793 -6.885 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 19.333 -18.314 -6.572 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 16.830 -23.007 -12.697 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 17.349 -23.836 -12.601 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 15.915 -23.270 -12.471 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 16.537 -18.548 -4.782 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 17.302 -18.693 -5.374 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 16.346 -17.600 -4.866 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 17.671 -20.058 11.218 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 17.011 -19.958 11.929 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 17.677 -19.192 10.783 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 20.047 -21.095 -7.617 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 20.389 -21.756 -6.972 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 20.514 -21.300 -8.433 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 20.045 -24.622 5.739 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 19.865 -24.412 6.675 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 20.886 -24.162 5.549 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 20.458 -22.337 -11.237 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 21.363 -22.159 -11.517 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 20.444 -23.307 -11.078 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 22.540 -23.507 5.190 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 22.986 -24.367 5.320 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 22.560 -23.378 4.224 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 23.400 -26.137 4.865 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 22.904 -25.865 4.059 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 24.336 -26.158 4.568 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 25.827 -25.750 3.523 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 25.750 -24.820 3.191 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 26.776 -25.895 3.590 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 22.291 -32.673 2.194 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 22.278 -33.638 2.005 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 22.398 -32.262 1.309 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 22.560 -26.607 8.964 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.630 -26.487 9.239 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 22.788 -27.514 9.285 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 23.522 -31.926 4.556 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 24.317 -32.466 4.528 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 23.065 -32.132 3.715 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 22.933 -30.273 6.664 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 23.154 -30.831 5.885 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 22.837 -30.915 7.397 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 13.563 -14.847 -6.496 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 14.230 -15.098 -5.823 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 12.725 -14.778 -5.990 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 17.178 -14.866 -2.894 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 16.557 -14.688 -2.156 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 18.047 -14.768 -2.499 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 18.374 -22.498 2.490 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 18.477 -22.092 1.605 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 18.904 -21.918 3.081 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 14.834 -30.246 -4.355 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 14.406 -30.823 -3.689 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 15.596 -30.765 -4.662 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 15.487 -27.238 -9.645 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 15.245 -27.743 -8.829 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 14.971 -27.674 -10.355 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 20.472 -13.536 7.747 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 21.243 -13.534 8.322 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 20.475 -12.664 7.340 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 20.044 -30.705 -6.883 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 19.729 -30.693 -5.958 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 21.018 -30.644 -6.798 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 22.479 -30.567 -5.475 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 23.299 -30.914 -5.066 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 21.789 -30.735 -4.806 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 17.223 -13.956 -8.258 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 17.713 -13.933 -7.427 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 17.402 -13.071 -8.669 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 22.757 -29.178 9.656 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 22.689 -30.099 9.337 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 23.089 -29.268 10.578 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 25.068 -12.258 -14.624 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 25.861 -11.806 -14.932 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 25.397 -13.072 -14.228 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 20.824 -25.487 20.848 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 19.936 -25.630 20.457 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 20.637 -25.075 21.720 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 23.298 -27.572 17.434 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 23.360 -28.496 17.749 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 23.328 -27.035 18.262 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 23.168 -26.140 19.694 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 23.830 -25.697 20.233 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 22.330 -26.028 20.200 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 20.116 -31.847 16.509 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 19.734 -32.011 15.613 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 21.070 -31.691 16.335 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 22.759 -31.511 15.900 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 23.057 -30.933 16.638 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 23.536 -32.038 15.683 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 21.555 -21.340 11.809 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 21.580 -20.889 12.662 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 21.792 -22.273 12.024 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.169 -24.156 18.120 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 21.452 -24.592 18.937 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 21.783 -24.495 17.441 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 22.491 -25.400 15.952 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 22.783 -26.156 16.507 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 22.826 -25.615 15.069 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 21.596 -30.989 13.426 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 20.661 -31.263 13.592 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 22.039 -31.131 14.286 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 22.304 -26.689 12.225 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 22.614 -27.611 12.123 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 23.119 -26.154 12.131 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 20.512 -27.903 14.270 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 19.873 -28.625 14.070 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 20.828 -27.613 13.396 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 19.662 -29.786 11.412 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.231 -29.852 12.297 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 20.548 -30.148 11.555 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 20.578 -23.629 14.871 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 21.081 -24.190 15.490 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 21.090 -23.678 14.039 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 24.433 -24.891 11.959 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 25.372 -24.892 12.262 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 24.496 -24.746 10.992 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 19.846 -26.607 8.731 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 19.711 -25.637 8.764 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 19.108 -26.973 9.267 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 17.757 -26.501 12.964 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 17.796 -25.741 12.337 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 18.025 -27.262 12.428 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 18.589 -24.069 17.289 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 19.500 -23.803 17.560 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 18.731 -24.885 16.758 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 20.005 -23.870 8.497 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 20.929 -23.562 8.359 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 19.664 -23.288 9.209 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 23.426 -30.223 18.241 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 22.543 -30.221 18.689 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 24.026 -30.578 18.907 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 19.199 -22.252 10.650 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 20.049 -21.942 11.025 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 18.604 -21.468 10.729 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 17.944 -28.003 10.294 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 17.169 -28.546 10.065 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 18.610 -28.658 10.614 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 17.016 -28.392 15.750 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 17.420 -28.772 14.934 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 17.212 -29.059 16.440 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 22.515 -22.898 7.949 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 22.495 -21.970 8.286 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 22.625 -22.803 6.981 1.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 21.992 -23.932 12.563 1.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 21.601 -24.795 12.325 1.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 22.960 -24.074 12.450 1.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 27.028 -24.673 9.525 1.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 26.060 -24.610 9.365 1.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 27.407 -24.746 8.649 1.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 22.201 -20.554 9.266 1.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 22.136 -19.597 9.289 1.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 22.025 -20.830 10.191 1.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 18.449 -25.819 19.468 1.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 18.538 -25.041 18.882 1.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 17.589 -26.213 19.209 1.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 16.007 -26.716 23.480 1.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 16.733 -26.342 22.973 1.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 15.206 -26.462 22.975 1.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 18.873 -26.432 15.918 1.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 19.557 -26.756 15.286 1.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 18.162 -27.104 15.859 1.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 18.484 -22.063 14.122 1.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 18.434 -22.342 13.199 1.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 19.232 -22.590 14.492 1.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 16.030 -29.352 19.031 1.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 16.774 -29.829 18.613 1.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 16.184 -28.416 18.790 1.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 23.204 -28.265 14.820 1.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 23.375 -28.058 15.759 1.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 22.233 -28.181 14.730 1.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 27.116 -24.844 12.197 1.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 27.168 -24.769 11.215 1.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 28.028 -24.936 12.474 1.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 21.012 -30.107 19.433 1.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 20.283 -30.629 19.782 1.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 20.585 -29.284 19.106 1.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 20.720 -3.263 -16.851 1.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 20.479 -4.198 -16.698 1.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 21.656 -3.206 -16.555 1.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 17.291 -5.168 -23.747 1.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 17.734 -5.367 -24.579 1.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 17.193 -4.209 -23.751 1.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 18.419 -11.613 -15.253 1.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 17.463 -11.541 -15.100 1.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 18.603 -10.938 -15.937 1.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 18.069 -5.831 -18.623 1.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 17.753 -4.950 -18.340 1.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 17.897 -5.844 -19.592 1.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 23.348 -3.287 -16.028 1.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 24.007 -3.907 -16.357 1.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 23.860 -2.625 -15.552 1.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 15.372 -4.895 -16.635 1.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 15.924 -4.380 -17.264 1.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 15.399 -5.805 -16.985 1.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 17.188 -8.235 -15.167 1.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 18.132 -8.153 -14.896 1.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 17.227 -8.707 -16.011 1.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 16.460 -5.981 -13.587 1.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 17.177 -5.348 -13.798 1.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 16.608 -6.721 -14.210 1.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 20.608 -13.246 -15.447 1.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 19.780 -12.728 -15.296 1.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 21.266 -12.819 -14.865 1.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 18.676 -4.436 -14.174 1.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 19.083 -4.882 -14.950 1.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 18.461 -3.538 -14.503 1.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 19.694 -5.813 -16.320 1.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 19.208 -5.992 -17.152 1.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 19.810 -6.694 -15.915 1.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 19.731 -7.855 -14.287 1.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 20.213 -8.638 -13.949 1.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 19.828 -7.192 -13.573 1.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 21.039 -9.847 -12.803 1.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 21.494 -10.448 -13.438 1.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 21.674 -9.741 -12.086 1.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 19.364 -2.263 -18.974 1.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 19.990 -1.839 -19.569 1.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 19.923 -2.604 -18.238 1.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 18.349 -8.410 -19.518 1.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 18.272 -7.558 -19.039 1.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 18.265 -8.161 -20.450 1.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 17.255 -6.291 -21.222 1.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 17.330 -5.901 -22.121 1.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 16.316 -6.552 -21.153 1.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 15.454 -10.879 -15.303 1.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 15.741 -10.754 -16.228 1.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 14.794 -10.177 -15.167 1.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 17.950 -15.099 -10.684 1.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 18.799 -14.672 -10.842 1.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 17.666 -14.755 -9.809 1.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 22.500 -11.355 -14.531 1.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 22.364 -11.030 -15.439 1.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 23.441 -11.652 -14.519 1.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 15.283 -9.216 -9.939 1.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 15.949 -9.222 -9.214 1.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 15.722 -8.739 -10.662 1.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 19.765 -5.961 -12.217 1.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 20.437 -5.461 -11.739 1.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 19.360 -5.300 -12.828 1.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 17.748 -7.501 -11.184 1.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 17.150 -6.807 -10.841 1.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 18.533 -6.999 -11.505 1.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 16.942 -9.416 -7.748 1.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 16.254 -9.791 -7.142 1.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 17.446 -8.815 -7.187 1.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 17.682 -11.564 -9.318 1.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 18.097 -11.154 -10.112 1.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 17.508 -10.804 -8.723 1.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 18.656 -10.139 -11.409 1.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 19.430 -10.145 -12.011 1.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 18.461 -9.191 -11.282 1.00 0.00 WAT1 END