REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1608.92, 82.4885, 92.8543, 40.1879, 420.227, -264.299, -1981.42, 0.792286, 0.250178 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.361893E-03,0.470497,1.18382,42.2278,2.782255E-03,0.229448 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 13, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:37 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 6.337 19.856 -16.325 1.00 72.03 ATOM 2 CB MET 1 6.556 21.957 -15.933 1.00 14.24 ATOM 3 HB1 MET 1 6.050 22.873 -16.207 1.00 37.83 ATOM 4 HB2 MET 1 7.560 21.983 -16.331 1.00 52.31 ATOM 5 CG MET 1 6.648 21.902 -14.414 1.00 71.21 ATOM 6 HG1 MET 1 7.135 20.980 -14.128 1.00 37.83 ATOM 7 HG2 MET 1 5.648 21.922 -14.004 1.00 64.42 ATOM 8 SD MET 1 7.583 23.288 -13.732 1.00 11.22 ATOM 9 CE MET 1 7.415 22.989 -11.971 1.00 14.21 ATOM 10 HE1 MET 1 6.371 23.020 -11.698 1.00 11.24 ATOM 11 HE2 MET 1 7.954 23.752 -11.425 1.00 54.24 ATOM 12 HE3 MET 1 7.822 22.018 -11.728 1.00 34.42 ATOM 13 C MET 1 4.384 20.675 -15.980 1.00 23.23 ATOM 14 O MET 1 3.491 21.414 -16.386 1.00 2.31 ATOM 15 N MET 1 5.771 20.912 -18.042 1.00 75.23 ATOM 16 HT1 MET 1 5.236 21.762 -18.309 1.00 37.83 ATOM 17 HT2 MET 1 5.316 20.082 -18.471 1.00 37.83 ATOM 18 HT3 MET 1 6.739 20.994 -18.418 1.00 37.83 ATOM 19 CA MET 1 5.806 20.770 -16.559 1.00 21.22 ATOM 20 N GLY 2 4.184 19.765 -15.026 1.00 51.03 ATOM 21 HN GLY 2 4.944 19.235 -14.701 1.00 37.83 ATOM 22 CA GLY 2 2.858 19.545 -14.451 1.00 14.35 ATOM 23 HA1 GLY 2 2.130 20.115 -15.009 1.00 37.83 ATOM 24 HA2 GLY 2 2.861 19.890 -13.427 1.00 51.40 ATOM 25 C GLY 2 2.459 18.074 -14.473 1.00 34.42 ATOM 26 O GLY 2 3.287 17.202 -14.195 1.00 24.14 ATOM 27 N HIS 3 1.193 17.793 -14.798 1.00 32.42 ATOM 28 HN HIS 3 0.573 18.535 -14.973 1.00 37.83 ATOM 29 CA HIS 3 0.698 16.410 -14.904 1.00 31.51 ATOM 30 HA HIS 3 -0.352 16.459 -15.154 1.00 71.23 ATOM 31 CB HIS 3 1.450 15.685 -16.038 1.00 22.25 ATOM 32 HB1 HIS 3 2.482 15.548 -15.744 1.00 37.83 ATOM 33 HB2 HIS 3 1.421 16.299 -16.927 1.00 13.53 ATOM 34 CG HIS 3 0.892 14.341 -16.399 1.00 4.10 ATOM 35 ND1 HIS 3 1.483 13.155 -16.023 1.00 32.25 ATOM 36 HD1 HIS 3 2.291 13.064 -15.473 1.00 31.32 ATOM 37 CD2 HIS 3 -0.194 13.997 -17.131 1.00 40.11 ATOM 38 HD2 HIS 3 -0.900 14.675 -17.588 1.00 64.31 ATOM 39 CE1 HIS 3 0.791 12.146 -16.509 1.00 13.32 ATOM 40 HE1 HIS 3 1.020 11.099 -16.373 1.00 33.21 ATOM 41 NE2 HIS 3 -0.231 12.629 -17.181 1.00 51.34 ATOM 42 HE2 HIS 3 -0.837 12.098 -17.740 1.00 37.83 ATOM 43 C HIS 3 0.849 15.659 -13.562 1.00 25.41 ATOM 44 O HIS 3 0.836 14.426 -13.509 1.00 32.43 ATOM 45 N HIS 4 0.938 16.419 -12.472 1.00 50.24 ATOM 46 HN HIS 4 0.793 17.386 -12.560 1.00 37.83 ATOM 47 CA HIS 4 1.223 15.867 -11.143 1.00 14.54 ATOM 48 HA HIS 4 1.234 14.789 -11.219 1.00 3.15 ATOM 49 CB HIS 4 2.608 16.352 -10.691 1.00 34.34 ATOM 50 HB1 HIS 4 2.570 17.420 -10.523 1.00 37.83 ATOM 51 HB2 HIS 4 3.323 16.147 -11.474 1.00 41.32 ATOM 52 CG HIS 4 3.112 15.706 -9.438 1.00 53.43 ATOM 53 ND1 HIS 4 3.151 16.349 -8.221 1.00 60.03 ATOM 54 HD1 HIS 4 2.861 17.272 -8.049 1.00 75.24 ATOM 55 CD2 HIS 4 3.626 14.474 -9.223 1.00 73.01 ATOM 56 HD2 HIS 4 3.750 13.693 -9.960 1.00 51.01 ATOM 57 CE1 HIS 4 3.664 15.545 -7.316 1.00 31.50 ATOM 58 HE1 HIS 4 3.814 15.783 -6.274 1.00 23.11 ATOM 59 NE2 HIS 4 3.961 14.401 -7.894 1.00 1.12 ATOM 60 HE2 HIS 4 4.538 13.712 -7.498 1.00 37.83 ATOM 61 C HIS 4 0.139 16.285 -10.129 1.00 12.22 ATOM 62 O HIS 4 -0.236 17.456 -10.059 1.00 44.31 ATOM 63 N HIS 5 -0.356 15.331 -9.337 1.00 30.41 ATOM 64 HN HIS 5 0.012 14.423 -9.393 1.00 37.83 ATOM 65 CA HIS 5 -1.446 15.606 -8.388 1.00 34.30 ATOM 66 HA HIS 5 -1.553 16.679 -8.309 1.00 44.54 ATOM 67 CB HIS 5 -2.759 15.023 -8.932 1.00 42.45 ATOM 68 HB1 HIS 5 -2.657 13.951 -9.020 1.00 37.83 ATOM 69 HB2 HIS 5 -2.950 15.439 -9.911 1.00 3.23 ATOM 70 CG HIS 5 -3.961 15.304 -8.077 1.00 73.40 ATOM 71 ND1 HIS 5 -4.521 16.558 -7.955 1.00 33.51 ATOM 72 HD1 HIS 5 -4.204 17.378 -8.398 1.00 45.25 ATOM 73 CD2 HIS 5 -4.716 14.484 -7.303 1.00 62.43 ATOM 74 HD2 HIS 5 -4.567 13.424 -7.154 1.00 10.24 ATOM 75 CE1 HIS 5 -5.561 16.497 -7.150 1.00 43.10 ATOM 76 HE1 HIS 5 -6.195 17.326 -6.874 1.00 71.24 ATOM 77 NE2 HIS 5 -5.703 15.254 -6.741 1.00 42.33 ATOM 78 HE2 HIS 5 -6.492 14.907 -6.271 1.00 37.83 ATOM 79 C HIS 5 -1.150 15.040 -6.985 1.00 41.43 ATOM 80 O HIS 5 -0.813 13.868 -6.833 1.00 43.11 ATOM 81 N HIS 6 -1.292 15.884 -5.963 1.00 42.33 ATOM 82 HN HIS 6 -1.545 16.812 -6.150 1.00 37.83 ATOM 83 CA HIS 6 -1.092 15.469 -4.566 1.00 4.24 ATOM 84 HA HIS 6 -0.332 14.701 -4.550 1.00 14.13 ATOM 85 CB HIS 6 -0.617 16.663 -3.726 1.00 33.31 ATOM 86 HB1 HIS 6 -0.518 16.352 -2.694 1.00 37.83 ATOM 87 HB2 HIS 6 -1.354 17.449 -3.785 1.00 1.33 ATOM 88 CG HIS 6 0.699 17.237 -4.161 1.00 50.45 ATOM 89 ND1 HIS 6 1.913 16.718 -3.769 1.00 15.33 ATOM 90 HD1 HIS 6 2.043 15.929 -3.196 1.00 35.42 ATOM 91 CD2 HIS 6 0.989 18.302 -4.948 1.00 52.03 ATOM 92 HD2 HIS 6 0.277 18.950 -5.438 1.00 4.33 ATOM 93 CE1 HIS 6 2.888 17.437 -4.289 1.00 22.24 ATOM 94 HE1 HIS 6 3.944 17.262 -4.148 1.00 21.22 ATOM 95 NE2 HIS 6 2.356 18.402 -5.009 1.00 33.22 ATOM 96 HE2 HIS 6 2.854 19.163 -5.385 1.00 37.83 ATOM 97 C HIS 6 -2.391 14.899 -3.962 1.00 33.33 ATOM 98 O HIS 6 -3.486 15.161 -4.459 1.00 32.23 ATOM 99 N HIS 7 -2.261 14.118 -2.889 1.00 61.44 ATOM 100 HN HIS 7 -1.359 13.903 -2.565 1.00 37.83 ATOM 101 CA HIS 7 -3.426 13.550 -2.193 1.00 0.05 ATOM 102 HA HIS 7 -4.223 14.281 -2.223 1.00 31.52 ATOM 103 CB HIS 7 -3.887 12.274 -2.920 1.00 75.24 ATOM 104 HB1 HIS 7 -3.158 11.491 -2.753 1.00 37.83 ATOM 105 HB2 HIS 7 -3.947 12.476 -3.979 1.00 72.33 ATOM 106 CG HIS 7 -5.228 11.760 -2.478 1.00 30.22 ATOM 107 ND1 HIS 7 -6.418 12.350 -2.841 1.00 63.10 ATOM 108 HD1 HIS 7 -6.519 13.148 -3.407 1.00 15.34 ATOM 109 CD2 HIS 7 -5.565 10.698 -1.705 1.00 33.33 ATOM 110 HD2 HIS 7 -4.881 10.003 -1.238 1.00 41.43 ATOM 111 CE1 HIS 7 -7.422 11.679 -2.316 1.00 55.42 ATOM 112 HE1 HIS 7 -8.469 11.915 -2.436 1.00 52.13 ATOM 113 NE2 HIS 7 -6.935 10.673 -1.622 1.00 71.12 ATOM 114 HE2 HIS 7 -7.454 10.136 -0.987 1.00 37.83 ATOM 115 C HIS 7 -3.087 13.251 -0.716 1.00 21.31 ATOM 116 O HIS 7 -3.587 12.289 -0.124 1.00 11.32 ATOM 117 N HIS 8 -2.249 14.100 -0.118 1.00 30.34 ATOM 118 HN HIS 8 -1.914 14.869 -0.622 1.00 37.83 ATOM 119 CA HIS 8 -1.828 13.913 1.278 1.00 13.03 ATOM 120 HA HIS 8 -1.669 12.853 1.422 1.00 73.14 ATOM 121 CB HIS 8 -0.498 14.641 1.559 1.00 44.33 ATOM 122 HB1 HIS 8 0.260 14.253 0.890 1.00 37.83 ATOM 123 HB2 HIS 8 -0.198 14.444 2.576 1.00 1.23 ATOM 124 CG HIS 8 -0.545 16.132 1.381 1.00 10.03 ATOM 125 ND1 HIS 8 -0.588 17.016 2.437 1.00 74.35 ATOM 126 HD1 HIS 8 -0.614 16.770 3.387 1.00 52.33 ATOM 127 CD2 HIS 8 -0.539 16.895 0.264 1.00 13.03 ATOM 128 HD2 HIS 8 -0.516 16.537 -0.757 1.00 24.14 ATOM 129 CE1 HIS 8 -0.604 18.249 1.979 1.00 35.41 ATOM 130 HE1 HIS 8 -0.638 19.146 2.580 1.00 73.03 ATOM 131 NE2 HIS 8 -0.573 18.207 0.664 1.00 74.42 ATOM 132 HE2 HIS 8 -0.377 18.974 0.086 1.00 37.83 ATOM 133 C HIS 8 -2.922 14.364 2.265 1.00 22.52 ATOM 134 O HIS 8 -2.957 15.509 2.709 1.00 33.15 ATOM 135 N SER 9 -3.832 13.450 2.576 1.00 0.55 ATOM 136 HN SER 9 -3.777 12.565 2.158 1.00 37.83 ATOM 137 CA SER 9 -4.922 13.719 3.525 1.00 64.13 ATOM 138 HA SER 9 -5.080 14.789 3.562 1.00 34.34 ATOM 139 CB SER 9 -6.217 13.039 3.052 1.00 3.54 ATOM 140 HB1 SER 9 -6.532 13.483 2.118 1.00 37.83 ATOM 141 HB2 SER 9 -6.989 13.180 3.794 1.00 52.14 ATOM 142 OG SER 9 -6.026 11.644 2.852 1.00 4.15 ATOM 143 HG SER 9 -6.434 11.383 2.015 1.00 5.23 ATOM 144 C SER 9 -4.560 13.228 4.934 1.00 53.32 ATOM 145 O SER 9 -3.686 12.371 5.102 1.00 70.43 ATOM 146 N HIS 10 -5.225 13.780 5.948 1.00 2.40 ATOM 147 HN HIS 10 -5.898 14.470 5.759 1.00 37.83 ATOM 148 CA HIS 10 -4.983 13.380 7.340 1.00 42.41 ATOM 149 HA HIS 10 -4.802 12.312 7.347 1.00 65.05 ATOM 150 CB HIS 10 -3.741 14.095 7.898 1.00 4.05 ATOM 151 HB1 HIS 10 -2.894 13.867 7.267 1.00 37.83 ATOM 152 HB2 HIS 10 -3.543 13.732 8.895 1.00 51.44 ATOM 153 CG HIS 10 -3.868 15.590 7.973 1.00 32.24 ATOM 154 ND1 HIS 10 -4.035 16.268 9.162 1.00 13.53 ATOM 155 HD1 HIS 10 -4.085 15.860 10.051 1.00 14.35 ATOM 156 CD2 HIS 10 -3.840 16.540 7.006 1.00 55.40 ATOM 157 HD2 HIS 10 -3.722 16.373 5.944 1.00 10.53 ATOM 158 CE1 HIS 10 -4.107 17.561 8.925 1.00 43.34 ATOM 159 HE1 HIS 10 -4.242 18.334 9.668 1.00 4.43 ATOM 160 NE2 HIS 10 -3.990 17.752 7.629 1.00 71.23 ATOM 161 HE2 HIS 10 -3.915 18.630 7.194 1.00 37.83 ATOM 162 C HIS 10 -6.204 13.670 8.225 1.00 20.15 ATOM 163 O HIS 10 -6.764 14.767 8.185 1.00 3.44 ATOM 164 N MET 11 -6.614 12.685 9.020 1.00 55.44 ATOM 165 HN MET 11 -6.133 11.829 9.005 1.00 37.83 ATOM 166 CA MET 11 -7.771 12.840 9.910 1.00 54.41 ATOM 167 HA MET 11 -8.551 13.335 9.346 1.00 5.32 ATOM 168 CB MET 11 -8.295 11.469 10.359 1.00 4.45 ATOM 169 HB1 MET 11 -9.073 11.616 11.096 1.00 37.83 ATOM 170 HB2 MET 11 -7.484 10.915 10.814 1.00 33.10 ATOM 171 CG MET 11 -8.866 10.631 9.222 1.00 1.22 ATOM 172 HG1 MET 11 -8.092 10.475 8.484 1.00 37.83 ATOM 173 HG2 MET 11 -9.690 11.166 8.770 1.00 32.42 ATOM 174 SD MET 11 -9.460 9.025 9.781 1.00 0.23 ATOM 175 CE MET 11 -7.950 8.318 10.437 1.00 51.44 ATOM 176 HE1 MET 11 -7.587 8.931 11.249 1.00 33.34 ATOM 177 HE2 MET 11 -7.205 8.275 9.657 1.00 22.11 ATOM 178 HE3 MET 11 -8.146 7.320 10.799 1.00 33.32 ATOM 179 C MET 11 -7.441 13.701 11.139 1.00 31.34 ATOM 180 O MET 11 -6.341 13.635 11.691 1.00 31.43 ATOM 181 N ALA 12 -8.416 14.501 11.558 1.00 14.44 ATOM 182 HN ALA 12 -9.270 14.486 11.079 1.00 37.83 ATOM 183 CA ALA 12 -8.273 15.402 12.704 1.00 4.31 ATOM 184 HA ALA 12 -7.737 14.877 13.483 1.00 1.12 ATOM 185 CB ALA 12 -7.463 16.636 12.309 1.00 22.52 ATOM 186 HB1 ALA 12 -7.360 17.289 13.163 1.00 70.21 ATOM 187 HB2 ALA 12 -7.969 17.162 11.512 1.00 21.24 ATOM 188 HB3 ALA 12 -6.484 16.330 11.971 1.00 73.01 ATOM 189 C ALA 12 -9.656 15.809 13.239 1.00 72.54 ATOM 190 O ALA 12 -10.681 15.319 12.761 1.00 75.34 ATOM 191 N LYS 13 -9.686 16.704 14.223 1.00 62.34 ATOM 192 HN LYS 13 -8.844 17.078 14.557 1.00 37.83 ATOM 193 CA LYS 13 -10.952 17.160 14.814 1.00 64.43 ATOM 194 HA LYS 13 -11.759 16.716 14.247 1.00 54.50 ATOM 195 CB LYS 13 -11.058 16.690 16.275 1.00 55.23 ATOM 196 HB1 LYS 13 -11.975 17.078 16.701 1.00 37.83 ATOM 197 HB2 LYS 13 -10.221 17.090 16.830 1.00 15.25 ATOM 198 CG LYS 13 -11.060 15.169 16.442 1.00 51.40 ATOM 199 HG1 LYS 13 -11.073 14.933 17.498 1.00 37.83 ATOM 200 HG2 LYS 13 -10.161 14.767 15.995 1.00 50.52 ATOM 201 CD LYS 13 -12.273 14.521 15.773 1.00 41.14 ATOM 202 HD1 LYS 13 -12.259 14.761 14.717 1.00 37.83 ATOM 203 HD2 LYS 13 -13.174 14.919 16.218 1.00 60.21 ATOM 204 CE LYS 13 -12.276 13.001 15.934 1.00 63.35 ATOM 205 HE1 LYS 13 -11.382 12.602 15.476 1.00 37.83 ATOM 206 HE2 LYS 13 -13.144 12.600 15.432 1.00 25.21 ATOM 207 NZ LYS 13 -12.311 12.584 17.363 1.00 53.42 ATOM 208 HZ1 LYS 13 -13.110 13.040 17.848 1.00 43.10 ATOM 209 HZ2 LYS 13 -11.428 12.855 17.840 1.00 65.31 ATOM 210 HZ3 LYS 13 -12.423 11.553 17.435 1.00 61.11 ATOM 211 C LYS 13 -11.086 18.693 14.735 1.00 61.12 ATOM 212 O LYS 13 -10.096 19.417 14.853 1.00 54.42 ATOM 213 N PRO 14 -12.318 19.207 14.521 1.00 32.34 ATOM 214 CA PRO 14 -12.573 20.658 14.424 1.00 4.12 ATOM 215 HA PRO 14 -12.098 21.074 13.546 1.00 34.20 ATOM 216 CB PRO 14 -14.100 20.745 14.265 1.00 52.12 ATOM 217 HB1 PRO 14 -14.352 21.550 13.587 1.00 37.83 ATOM 218 HB2 PRO 14 -14.558 20.923 15.228 1.00 73.13 ATOM 219 CG PRO 14 -14.495 19.419 13.710 1.00 14.21 ATOM 220 HG1 PRO 14 -14.382 19.420 12.634 1.00 37.83 ATOM 221 HG2 PRO 14 -15.518 19.196 13.980 1.00 12.13 ATOM 222 CD PRO 14 -13.555 18.423 14.335 1.00 72.30 ATOM 223 HD1 PRO 14 -13.388 17.589 13.668 1.00 37.83 ATOM 224 HD2 PRO 14 -13.942 18.079 15.284 1.00 74.23 ATOM 225 C PRO 14 -12.113 21.448 15.664 1.00 71.14 ATOM 226 O PRO 14 -12.664 21.294 16.758 1.00 75.14 ATOM 227 N THR 15 -11.091 22.284 15.482 1.00 55.55 ATOM 228 HN THR 15 -10.653 22.308 14.608 1.00 37.83 ATOM 229 CA THR 15 -10.589 23.156 16.554 1.00 33.20 ATOM 230 HA THR 15 -10.503 22.564 17.455 1.00 20.24 ATOM 231 CB THR 15 -9.189 23.721 16.211 1.00 61.34 ATOM 232 HB THR 15 -8.860 24.348 17.029 1.00 22.44 ATOM 233 OG1 THR 15 -9.259 24.517 15.015 1.00 54.14 ATOM 234 HG1 THR 15 -8.488 24.338 14.460 1.00 21.54 ATOM 235 CG2 THR 15 -8.172 22.596 16.020 1.00 70.00 ATOM 236 HG21 THR 15 -8.099 22.016 16.929 1.00 53.30 ATOM 237 HG22 THR 15 -7.205 23.020 15.787 1.00 32.10 ATOM 238 HG23 THR 15 -8.487 21.956 15.209 1.00 62.12 ATOM 239 C THR 15 -11.551 24.328 16.817 1.00 64.44 ATOM 240 O THR 15 -11.654 24.828 17.940 1.00 61.40 ATOM 241 N ALA 16 -12.241 24.768 15.766 1.00 14.43 ATOM 242 HN ALA 16 -12.039 24.398 14.883 1.00 37.83 ATOM 243 CA ALA 16 -13.289 25.789 15.884 1.00 5.33 ATOM 244 HA ALA 16 -13.077 26.393 16.758 1.00 0.44 ATOM 245 CB ALA 16 -13.278 26.700 14.659 1.00 63.22 ATOM 246 HB1 ALA 16 -13.515 26.125 13.776 1.00 12.32 ATOM 247 HB2 ALA 16 -12.297 27.141 14.547 1.00 4.21 ATOM 248 HB3 ALA 16 -14.010 27.484 14.784 1.00 74.22 ATOM 249 C ALA 16 -14.668 25.130 16.054 1.00 53.00 ATOM 250 O ALA 16 -14.888 24.009 15.594 1.00 3.32 ATOM 251 N ARG 17 -15.591 25.823 16.719 1.00 12.33 ATOM 252 HN ARG 17 -15.368 26.723 17.044 1.00 37.83 ATOM 253 CA ARG 17 -16.930 25.274 16.990 1.00 32.34 ATOM 254 HA ARG 17 -16.914 24.215 16.773 1.00 51.51 ATOM 255 CB ARG 17 -17.282 25.477 18.470 1.00 0.00 ATOM 256 HB1 ARG 17 -18.170 24.903 18.698 1.00 37.83 ATOM 257 HB2 ARG 17 -17.490 26.524 18.636 1.00 34.23 ATOM 258 CG ARG 17 -16.181 25.055 19.439 1.00 51.34 ATOM 259 HG1 ARG 17 -15.276 25.600 19.202 1.00 37.83 ATOM 260 HG2 ARG 17 -16.002 23.994 19.330 1.00 40.34 ATOM 261 CD ARG 17 -16.571 25.346 20.885 1.00 51.24 ATOM 262 HD1 ARG 17 -15.715 25.163 21.520 1.00 37.83 ATOM 263 HD2 ARG 17 -17.375 24.683 21.170 1.00 74.33 ATOM 264 NE ARG 17 -17.013 26.731 21.071 1.00 13.45 ATOM 265 HE ARG 17 -17.411 27.189 20.301 1.00 14.55 ATOM 266 CZ ARG 17 -16.929 27.389 22.195 1.00 44.21 ATOM 267 NH1 ARG 17 -16.402 26.846 23.246 1.00 11.53 ATOM 268 HH11 ARG 17 -16.053 25.911 23.206 1.00 1.15 ATOM 269 HH12 ARG 17 -16.343 27.365 24.094 1.00 24.21 ATOM 270 NH2 ARG 17 -17.383 28.595 22.267 1.00 50.33 ATOM 271 HH21 ARG 17 -17.798 29.018 21.465 1.00 42.21 ATOM 272 HH22 ARG 17 -17.318 29.099 23.126 1.00 30.13 ATOM 273 C ARG 17 -18.006 25.947 16.122 1.00 0.24 ATOM 274 O ARG 17 -18.939 25.298 15.643 1.00 12.43 ATOM 275 N GLY 18 -17.867 27.258 15.935 1.00 23.31 ATOM 276 HN GLY 18 -17.061 27.700 16.273 1.00 37.83 ATOM 277 CA GLY 18 -18.877 28.048 15.236 1.00 34.21 ATOM 278 HA1 GLY 18 -19.619 27.385 14.812 1.00 37.83 ATOM 279 HA2 GLY 18 -18.399 28.594 14.434 1.00 45.31 ATOM 280 C GLY 18 -19.577 29.037 16.166 1.00 43.11 ATOM 281 O GLY 18 -19.965 28.684 17.283 1.00 3.42 ATOM 282 N GLU 19 -19.742 30.273 15.716 1.00 12.40 ATOM 283 HN GLU 19 -19.438 30.499 14.808 1.00 37.83 ATOM 284 CA GLU 19 -20.370 31.315 16.535 1.00 73.12 ATOM 285 HA GLU 19 -20.049 31.172 17.557 1.00 53.12 ATOM 286 CB GLU 19 -19.899 32.696 16.057 1.00 1.31 ATOM 287 HB1 GLU 19 -20.283 32.865 15.061 1.00 37.83 ATOM 288 HB2 GLU 19 -18.820 32.697 16.018 1.00 42.22 ATOM 289 CG GLU 19 -20.342 33.855 16.942 1.00 4.32 ATOM 290 HG1 GLU 19 -21.423 33.897 16.940 1.00 37.83 ATOM 291 HG2 GLU 19 -19.948 34.773 16.531 1.00 4.51 ATOM 292 CD GLU 19 -19.859 33.722 18.379 1.00 21.41 ATOM 293 OE1 GLU 19 -18.634 33.808 18.613 1.00 33.42 ATOM 294 OE2 GLU 19 -20.703 33.554 19.285 1.00 73.43 ATOM 295 C GLU 19 -21.907 31.212 16.483 1.00 2.41 ATOM 296 O GLU 19 -22.609 31.748 17.345 1.00 31.24 ATOM 297 N ALA 20 -22.418 30.528 15.455 1.00 72.11 ATOM 298 HN ALA 20 -21.806 30.209 14.756 1.00 37.83 ATOM 299 CA ALA 20 -23.858 30.250 15.320 1.00 2.52 ATOM 300 HA ALA 20 -23.986 29.629 14.443 1.00 3.45 ATOM 301 CB ALA 20 -24.363 29.459 16.528 1.00 33.51 ATOM 302 HB1 ALA 20 -24.261 30.059 17.421 1.00 12.14 ATOM 303 HB2 ALA 20 -23.783 28.554 16.636 1.00 61.03 ATOM 304 HB3 ALA 20 -25.404 29.204 16.384 1.00 11.41 ATOM 305 C ALA 20 -24.688 31.532 15.130 1.00 61.53 ATOM 306 O ALA 20 -25.891 31.553 15.405 1.00 75.53 ATOM 307 N GLY 21 -24.050 32.591 14.643 1.00 53.44 ATOM 308 HN GLY 21 -23.090 32.524 14.444 1.00 37.83 ATOM 309 CA GLY 21 -24.757 33.843 14.390 1.00 32.24 ATOM 310 HA1 GLY 21 -24.068 34.664 14.526 1.00 37.83 ATOM 311 HA2 GLY 21 -25.562 33.945 15.104 1.00 70.50 ATOM 312 C GLY 21 -25.333 33.914 12.981 1.00 42.30 ATOM 313 O GLY 21 -26.524 34.170 12.794 1.00 1.23 ATOM 314 N SER 22 -24.487 33.669 11.989 1.00 24.40 ATOM 315 HN SER 22 -23.558 33.435 12.206 1.00 37.83 ATOM 316 CA SER 22 -24.900 33.727 10.584 1.00 4.51 ATOM 317 HA SER 22 -25.576 34.563 10.478 1.00 61.30 ATOM 318 CB SER 22 -23.684 33.966 9.681 1.00 14.12 ATOM 319 HB1 SER 22 -23.993 33.931 8.645 1.00 37.83 ATOM 320 HB2 SER 22 -22.946 33.197 9.861 1.00 10.45 ATOM 321 OG SER 22 -23.090 35.234 9.937 1.00 33.24 ATOM 322 HG SER 22 -22.206 35.102 10.313 1.00 11.02 ATOM 323 C SER 22 -25.634 32.448 10.147 1.00 40.14 ATOM 324 O SER 22 -25.337 31.347 10.618 1.00 44.12 ATOM 325 N ARG 23 -26.593 32.614 9.235 1.00 51.42 ATOM 326 HN ARG 23 -26.778 33.523 8.911 1.00 37.83 ATOM 327 CA ARG 23 -27.398 31.499 8.709 1.00 71.41 ATOM 328 HA ARG 23 -28.029 31.146 9.510 1.00 10.14 ATOM 329 CB ARG 23 -28.291 32.007 7.566 1.00 12.44 ATOM 330 HB1 ARG 23 -28.992 32.726 7.968 1.00 37.83 ATOM 331 HB2 ARG 23 -28.842 31.172 7.155 1.00 55.10 ATOM 332 CG ARG 23 -27.513 32.676 6.431 1.00 23.11 ATOM 333 HG1 ARG 23 -26.859 31.942 5.978 1.00 37.83 ATOM 334 HG2 ARG 23 -26.918 33.480 6.840 1.00 31.40 ATOM 335 CD ARG 23 -28.433 33.248 5.355 1.00 11.22 ATOM 336 HD1 ARG 23 -27.825 33.726 4.599 1.00 37.83 ATOM 337 HD2 ARG 23 -29.083 33.982 5.808 1.00 52.42 ATOM 338 NE ARG 23 -29.256 32.219 4.725 1.00 5.23 ATOM 339 HE ARG 23 -29.653 31.538 5.304 1.00 54.21 ATOM 340 CZ ARG 23 -29.511 32.161 3.447 1.00 55.33 ATOM 341 NH1 ARG 23 -29.001 33.025 2.625 1.00 42.12 ATOM 342 HH11 ARG 23 -28.407 33.745 2.964 1.00 64.44 ATOM 343 HH12 ARG 23 -29.211 32.965 1.653 1.00 73.55 ATOM 344 NH2 ARG 23 -30.278 31.229 2.993 1.00 14.31 ATOM 345 HH21 ARG 23 -30.673 30.561 3.622 1.00 50.31 ATOM 346 HH22 ARG 23 -30.473 31.174 2.018 1.00 3.41 ATOM 347 C ARG 23 -26.528 30.326 8.215 1.00 34.54 ATOM 348 O ARG 23 -26.874 29.155 8.408 1.00 53.45 ATOM 349 N ASP 24 -25.404 30.650 7.580 1.00 72.13 ATOM 350 HN ASP 24 -25.187 31.601 7.460 1.00 37.83 ATOM 351 CA ASP 24 -24.473 29.642 7.055 1.00 72.23 ATOM 352 HA ASP 24 -25.031 29.000 6.388 1.00 11.34 ATOM 353 CB ASP 24 -23.361 30.333 6.254 1.00 12.24 ATOM 354 HB1 ASP 24 -23.750 30.636 5.292 1.00 37.83 ATOM 355 HB2 ASP 24 -22.545 29.638 6.102 1.00 20.33 ATOM 356 CG ASP 24 -22.828 31.562 6.969 1.00 30.43 ATOM 357 OD1 ASP 24 -21.874 31.438 7.761 1.00 11.21 ATOM 358 OD2 ASP 24 -23.391 32.658 6.759 1.00 11.33 ATOM 359 C ASP 24 -23.870 28.774 8.176 1.00 54.42 ATOM 360 O ASP 24 -23.801 27.547 8.053 1.00 13.22 ATOM 361 N GLU 25 -23.451 29.414 9.268 1.00 75.20 ATOM 362 HN GLU 25 -23.537 30.390 9.308 1.00 37.83 ATOM 363 CA GLU 25 -22.843 28.706 10.403 1.00 74.42 ATOM 364 HA GLU 25 -21.895 28.310 10.065 1.00 12.40 ATOM 365 CB GLU 25 -22.584 29.665 11.571 1.00 2.43 ATOM 366 HB1 GLU 25 -22.217 29.098 12.415 1.00 37.83 ATOM 367 HB2 GLU 25 -23.518 30.134 11.847 1.00 32.04 ATOM 368 CG GLU 25 -21.573 30.761 11.259 1.00 64.23 ATOM 369 HG1 GLU 25 -21.992 31.416 10.509 1.00 37.83 ATOM 370 HG2 GLU 25 -20.674 30.304 10.869 1.00 52.41 ATOM 371 CD GLU 25 -21.215 31.584 12.483 1.00 44.44 ATOM 372 OE1 GLU 25 -21.897 32.596 12.748 1.00 75.41 ATOM 373 OE2 GLU 25 -20.258 31.217 13.190 1.00 12.23 ATOM 374 C GLU 25 -23.710 27.538 10.889 1.00 64.31 ATOM 375 O GLU 25 -23.199 26.455 11.157 1.00 11.22 ATOM 376 N ARG 26 -25.022 27.762 10.987 1.00 63.32 ATOM 377 HN ARG 26 -25.372 28.645 10.740 1.00 37.83 ATOM 378 CA ARG 26 -25.952 26.724 11.459 1.00 62.02 ATOM 379 HA ARG 26 -25.709 26.521 12.494 1.00 65.44 ATOM 380 CB ARG 26 -27.403 27.227 11.387 1.00 44.22 ATOM 381 HB1 ARG 26 -28.063 26.435 11.713 1.00 37.83 ATOM 382 HB2 ARG 26 -27.634 27.476 10.360 1.00 11.53 ATOM 383 CG ARG 26 -27.669 28.459 12.250 1.00 74.52 ATOM 384 HG1 ARG 26 -27.136 29.301 11.828 1.00 37.83 ATOM 385 HG2 ARG 26 -27.306 28.272 13.251 1.00 21.33 ATOM 386 CD ARG 26 -29.156 28.801 12.323 1.00 62.24 ATOM 387 HD1 ARG 26 -29.525 28.958 11.319 1.00 37.83 ATOM 388 HD2 ARG 26 -29.274 29.711 12.892 1.00 44.24 ATOM 389 NE ARG 26 -29.942 27.741 12.956 1.00 44.44 ATOM 390 HE ARG 26 -29.651 26.818 12.818 1.00 74.31 ATOM 391 CZ ARG 26 -31.002 27.945 13.695 1.00 60.50 ATOM 392 NH1 ARG 26 -31.445 29.145 13.905 1.00 42.34 ATOM 393 HH11 ARG 26 -30.977 29.927 13.503 1.00 41.01 ATOM 394 HH12 ARG 26 -32.256 29.284 14.469 1.00 30.53 ATOM 395 NH2 ARG 26 -31.615 26.940 14.232 1.00 60.34 ATOM 396 HH21 ARG 26 -31.277 26.011 14.084 1.00 53.40 ATOM 397 HH22 ARG 26 -32.423 27.092 14.796 1.00 65.20 ATOM 398 C ARG 26 -25.800 25.414 10.664 1.00 30.13 ATOM 399 O ARG 26 -26.054 24.331 11.185 1.00 3.15 ATOM 400 N ARG 27 -25.382 25.520 9.403 1.00 73.54 ATOM 401 HN ARG 27 -25.251 26.413 9.019 1.00 37.83 ATOM 402 CA ARG 27 -25.093 24.337 8.581 1.00 42.24 ATOM 403 HA ARG 27 -25.776 23.551 8.879 1.00 43.41 ATOM 404 CB ARG 27 -25.306 24.639 7.088 1.00 42.02 ATOM 405 HB1 ARG 27 -24.843 23.852 6.507 1.00 37.83 ATOM 406 HB2 ARG 27 -24.821 25.577 6.851 1.00 4.03 ATOM 407 CG ARG 27 -26.772 24.741 6.666 1.00 20.31 ATOM 408 HG1 ARG 27 -27.291 23.854 7.002 1.00 37.83 ATOM 409 HG2 ARG 27 -26.821 24.795 5.589 1.00 71.03 ATOM 410 CD ARG 27 -27.468 25.969 7.246 1.00 1.24 ATOM 411 HD1 ARG 27 -26.996 26.857 6.853 1.00 37.83 ATOM 412 HD2 ARG 27 -27.368 25.955 8.322 1.00 31.12 ATOM 413 NE ARG 27 -28.885 25.997 6.905 1.00 22.15 ATOM 414 HE ARG 27 -29.256 25.217 6.449 1.00 61.24 ATOM 415 CZ ARG 27 -29.689 26.983 7.181 1.00 2.11 ATOM 416 NH1 ARG 27 -29.248 28.058 7.756 1.00 42.52 ATOM 417 HH11 ARG 27 -28.284 28.139 7.989 1.00 4.14 ATOM 418 HH12 ARG 27 -29.879 28.803 7.970 1.00 31.45 ATOM 419 NH2 ARG 27 -30.938 26.891 6.860 1.00 71.05 ATOM 420 HH21 ARG 27 -31.274 26.068 6.407 1.00 2.10 ATOM 421 HH22 ARG 27 -31.565 27.643 7.059 1.00 52.21 ATOM 422 C ARG 27 -23.654 23.848 8.813 1.00 23.11 ATOM 423 O ARG 27 -23.400 22.645 8.935 1.00 55.24 ATOM 424 N ALA 28 -22.717 24.795 8.878 1.00 5.41 ATOM 425 HN ALA 28 -22.985 25.735 8.783 1.00 37.83 ATOM 426 CA ALA 28 -21.298 24.480 9.083 1.00 23.20 ATOM 427 HA ALA 28 -20.968 23.887 8.240 1.00 14.12 ATOM 428 CB ALA 28 -20.474 25.764 9.103 1.00 61.11 ATOM 429 HB1 ALA 28 -19.424 25.518 9.178 1.00 45.04 ATOM 430 HB2 ALA 28 -20.764 26.368 9.950 1.00 62.34 ATOM 431 HB3 ALA 28 -20.648 26.316 8.191 1.00 54.34 ATOM 432 C ALA 28 -21.070 23.673 10.373 1.00 51.42 ATOM 433 O ALA 28 -20.466 22.602 10.347 1.00 41.33 ATOM 434 N LEU 29 -21.564 24.186 11.499 1.00 2.42 ATOM 435 HN LEU 29 -22.034 25.044 11.462 1.00 37.83 ATOM 436 CA LEU 29 -21.418 23.503 12.791 1.00 55.23 ATOM 437 HA LEU 29 -20.373 23.236 12.891 1.00 63.20 ATOM 438 CB LEU 29 -21.783 24.458 13.946 1.00 4.14 ATOM 439 HB1 LEU 29 -21.026 25.231 13.986 1.00 37.83 ATOM 440 HB2 LEU 29 -21.740 23.899 14.871 1.00 1.32 ATOM 441 CG LEU 29 -23.166 25.144 13.860 1.00 73.44 ATOM 442 HG LEU 29 -23.387 25.342 12.821 1.00 4.14 ATOM 443 CD1 LEU 29 -24.281 24.246 14.396 1.00 4.22 ATOM 444 HD11 LEU 29 -24.086 24.001 15.431 1.00 12.34 ATOM 445 HD12 LEU 29 -24.322 23.338 13.814 1.00 52.50 ATOM 446 HD13 LEU 29 -25.229 24.761 14.320 1.00 10.41 ATOM 447 CD2 LEU 29 -23.148 26.487 14.592 1.00 61.44 ATOM 448 HD21 LEU 29 -22.387 27.120 14.158 1.00 74.23 ATOM 449 HD22 LEU 29 -22.932 26.330 15.639 1.00 32.11 ATOM 450 HD23 LEU 29 -24.112 26.967 14.491 1.00 12.31 ATOM 451 C LEU 29 -22.243 22.204 12.851 1.00 74.30 ATOM 452 O LEU 29 -21.858 21.246 13.523 1.00 72.33 ATOM 453 N ALA 30 -23.368 22.168 12.129 1.00 1.14 ATOM 454 HN ALA 30 -23.642 22.969 11.636 1.00 37.83 ATOM 455 CA ALA 30 -24.208 20.965 12.056 1.00 23.42 ATOM 456 HA ALA 30 -24.478 20.686 13.066 1.00 74.11 ATOM 457 CB ALA 30 -25.492 21.266 11.287 1.00 0.24 ATOM 458 HB1 ALA 30 -26.015 22.084 11.763 1.00 51.44 ATOM 459 HB2 ALA 30 -26.127 20.391 11.282 1.00 25.00 ATOM 460 HB3 ALA 30 -25.250 21.539 10.269 1.00 5.51 ATOM 461 C ALA 30 -23.453 19.796 11.403 1.00 33.22 ATOM 462 O ALA 30 -23.669 18.629 11.742 1.00 32.13 ATOM 463 N MET 31 -22.570 20.121 10.458 1.00 44.42 ATOM 464 HN MET 31 -22.486 21.062 10.193 1.00 37.83 ATOM 465 CA MET 31 -21.727 19.116 9.794 1.00 71.43 ATOM 466 HA MET 31 -22.192 18.148 9.933 1.00 62.11 ATOM 467 CB MET 31 -21.639 19.411 8.288 1.00 60.04 ATOM 468 HB1 MET 31 -21.017 18.661 7.819 1.00 37.83 ATOM 469 HB2 MET 31 -21.182 20.382 8.145 1.00 3.30 ATOM 470 CG MET 31 -22.992 19.413 7.589 1.00 65.23 ATOM 471 HG1 MET 31 -22.845 19.655 6.546 1.00 37.83 ATOM 472 HG2 MET 31 -23.616 20.166 8.045 1.00 71.32 ATOM 473 SD MET 31 -23.842 17.824 7.698 1.00 64.11 ATOM 474 CE MET 31 -22.721 16.762 6.787 1.00 63.23 ATOM 475 HE1 MET 31 -23.111 15.755 6.774 1.00 12.15 ATOM 476 HE2 MET 31 -21.753 16.765 7.266 1.00 52.51 ATOM 477 HE3 MET 31 -22.624 17.124 5.774 1.00 54.24 ATOM 478 C MET 31 -20.316 19.071 10.411 1.00 64.12 ATOM 479 O MET 31 -19.566 18.121 10.189 1.00 64.20 ATOM 480 N LYS 32 -19.981 20.103 11.195 1.00 64.40 ATOM 481 HN LYS 32 -20.643 20.810 11.342 1.00 37.83 ATOM 482 CA LYS 32 -18.665 20.237 11.849 1.00 62.31 ATOM 483 HA LYS 32 -18.743 21.070 12.536 1.00 53.41 ATOM 484 CB LYS 32 -18.307 18.982 12.661 1.00 74.13 ATOM 485 HB1 LYS 32 -17.338 19.130 13.116 1.00 37.83 ATOM 486 HB2 LYS 32 -18.253 18.138 11.988 1.00 25.14 ATOM 487 CG LYS 32 -19.314 18.656 13.762 1.00 5.21 ATOM 488 HG1 LYS 32 -20.260 18.399 13.306 1.00 37.83 ATOM 489 HG2 LYS 32 -19.444 19.528 14.389 1.00 42.41 ATOM 490 CD LYS 32 -18.852 17.490 14.633 1.00 72.45 ATOM 491 HD1 LYS 32 -18.692 16.625 14.005 1.00 37.83 ATOM 492 HD2 LYS 32 -19.621 17.269 15.361 1.00 44.55 ATOM 493 CE LYS 32 -17.558 17.816 15.367 1.00 12.42 ATOM 494 HE1 LYS 32 -17.693 18.731 15.929 1.00 37.83 ATOM 495 HE2 LYS 32 -16.770 17.954 14.642 1.00 24.53 ATOM 496 NZ LYS 32 -17.166 16.732 16.302 1.00 32.12 ATOM 497 HZ1 LYS 32 -17.944 16.527 16.959 1.00 30.22 ATOM 498 HZ2 LYS 32 -16.336 17.021 16.856 1.00 34.21 ATOM 499 HZ3 LYS 32 -16.936 15.868 15.773 1.00 74.11 ATOM 500 C LYS 32 -17.551 20.566 10.843 1.00 12.31 ATOM 501 O LYS 32 -16.905 19.676 10.283 1.00 61.33 ATOM 502 N ILE 33 -17.340 21.861 10.618 1.00 61.43 ATOM 503 HN ILE 33 -17.903 22.515 11.081 1.00 37.83 ATOM 504 CA ILE 33 -16.302 22.348 9.702 1.00 41.01 ATOM 505 HA ILE 33 -15.946 21.509 9.120 1.00 3.44 ATOM 506 CB ILE 33 -16.886 23.407 8.726 1.00 30.25 ATOM 507 HB ILE 33 -17.258 24.235 9.318 1.00 31.33 ATOM 508 CG1 ILE 33 -18.054 22.811 7.915 1.00 3.24 ATOM 509 HG11 ILE 33 -18.462 23.576 7.269 1.00 37.83 ATOM 510 HG12 ILE 33 -18.825 22.479 8.596 1.00 64.20 ATOM 511 CG2 ILE 33 -15.803 23.948 7.795 1.00 40.33 ATOM 512 HG21 ILE 33 -16.231 24.682 7.128 1.00 71.51 ATOM 513 HG22 ILE 33 -15.386 23.137 7.215 1.00 21.22 ATOM 514 HG23 ILE 33 -15.020 24.409 8.380 1.00 5.00 ATOM 515 CD1 ILE 33 -17.670 21.626 7.047 1.00 53.03 ATOM 516 HD11 ILE 33 -17.297 20.828 7.671 1.00 10.14 ATOM 517 HD12 ILE 33 -16.904 21.923 6.347 1.00 13.30 ATOM 518 HD13 ILE 33 -18.538 21.281 6.504 1.00 15.24 ATOM 519 C ILE 33 -15.118 22.958 10.483 1.00 62.21 ATOM 520 O ILE 33 -15.283 23.936 11.210 1.00 72.32 ATOM 521 N PRO 34 -13.901 22.387 10.343 1.00 24.32 ATOM 522 CA PRO 34 -12.716 22.822 11.116 1.00 34.43 ATOM 523 HA PRO 34 -12.960 22.957 12.161 1.00 12.20 ATOM 524 CB PRO 34 -11.771 21.623 10.970 1.00 42.45 ATOM 525 HB1 PRO 34 -11.963 20.908 11.759 1.00 37.83 ATOM 526 HB2 PRO 34 -10.743 21.956 11.024 1.00 73.44 ATOM 527 CG PRO 34 -12.098 21.058 9.630 1.00 72.40 ATOM 528 HG1 PRO 34 -11.855 20.004 9.603 1.00 37.83 ATOM 529 HG2 PRO 34 -11.545 21.588 8.866 1.00 31.15 ATOM 530 CD PRO 34 -13.581 21.261 9.437 1.00 24.03 ATOM 531 HD1 PRO 34 -14.125 20.371 9.721 1.00 37.83 ATOM 532 HD2 PRO 34 -13.795 21.521 8.411 1.00 0.20 ATOM 533 C PRO 34 -12.042 24.109 10.591 1.00 21.55 ATOM 534 O PRO 34 -10.888 24.391 10.925 1.00 13.24 ATOM 535 N PHE 35 -12.757 24.896 9.791 1.00 71.44 ATOM 536 HN PHE 35 -13.674 24.636 9.564 1.00 37.83 ATOM 537 CA PHE 35 -12.214 26.152 9.252 1.00 34.31 ATOM 538 HA PHE 35 -11.523 26.541 9.988 1.00 2.12 ATOM 539 CB PHE 35 -11.438 25.894 7.944 1.00 54.43 ATOM 540 HB1 PHE 35 -10.513 25.386 8.185 1.00 37.83 ATOM 541 HB2 PHE 35 -11.200 26.844 7.484 1.00 13.24 ATOM 542 CG PHE 35 -12.173 25.057 6.921 1.00 2.14 ATOM 543 CD1 PHE 35 -12.004 23.678 6.887 1.00 51.51 ATOM 544 HD1 PHE 35 -11.349 23.205 7.605 1.00 62.44 ATOM 545 CD2 PHE 35 -13.020 25.645 5.990 1.00 63.24 ATOM 546 HD2 PHE 35 -13.164 26.716 6.003 1.00 35.12 ATOM 547 CE1 PHE 35 -12.662 22.906 5.950 1.00 1.50 ATOM 548 HE1 PHE 35 -12.521 21.834 5.936 1.00 24.31 ATOM 549 CE2 PHE 35 -13.681 24.873 5.052 1.00 30.32 ATOM 550 HE2 PHE 35 -14.337 25.340 4.334 1.00 5.32 ATOM 551 CZ PHE 35 -13.502 23.504 5.033 1.00 74.53 ATOM 552 HZ PHE 35 -14.017 22.901 4.299 1.00 64.43 ATOM 553 C PHE 35 -13.319 27.204 9.037 1.00 73.42 ATOM 554 O PHE 35 -14.457 26.863 8.713 1.00 62.41 ATOM 555 N PRO 36 -12.990 28.503 9.226 1.00 61.53 ATOM 556 CA PRO 36 -13.970 29.605 9.114 1.00 21.52 ATOM 557 HA PRO 36 -14.763 29.489 9.840 1.00 2.54 ATOM 558 CB PRO 36 -13.147 30.858 9.462 1.00 1.33 ATOM 559 HB1 PRO 36 -13.307 31.121 10.497 1.00 37.83 ATOM 560 HB2 PRO 36 -13.446 31.682 8.829 1.00 14.51 ATOM 561 CG PRO 36 -11.730 30.465 9.216 1.00 50.02 ATOM 562 HG1 PRO 36 -11.070 31.045 9.846 1.00 37.83 ATOM 563 HG2 PRO 36 -11.481 30.614 8.174 1.00 62.20 ATOM 564 CD PRO 36 -11.646 29.007 9.573 1.00 10.11 ATOM 565 HD1 PRO 36 -11.447 28.883 10.628 1.00 37.83 ATOM 566 HD2 PRO 36 -10.884 28.516 8.984 1.00 22.22 ATOM 567 C PRO 36 -14.594 29.739 7.713 1.00 40.33 ATOM 568 O PRO 36 -13.966 29.428 6.698 1.00 5.50 ATOM 569 N THR 37 -15.831 30.238 7.678 1.00 72.33 ATOM 570 HN THR 37 -16.242 30.529 8.520 1.00 37.83 ATOM 571 CA THR 37 -16.604 30.374 6.432 1.00 63.45 ATOM 572 HA THR 37 -16.669 29.395 5.977 1.00 70.20 ATOM 573 CB THR 37 -18.042 30.864 6.724 1.00 25.35 ATOM 574 HB THR 37 -18.570 30.975 5.784 1.00 34.50 ATOM 575 OG1 THR 37 -18.000 32.136 7.390 1.00 14.41 ATOM 576 HG1 THR 37 -18.897 32.488 7.462 1.00 73.11 ATOM 577 CG2 THR 37 -18.801 29.861 7.591 1.00 22.25 ATOM 578 HG21 THR 37 -19.799 30.229 7.780 1.00 23.42 ATOM 579 HG22 THR 37 -18.283 29.731 8.531 1.00 75.33 ATOM 580 HG23 THR 37 -18.859 28.911 7.080 1.00 12.30 ATOM 581 C THR 37 -15.950 31.338 5.428 1.00 72.12 ATOM 582 O THR 37 -16.010 31.118 4.217 1.00 33.24 ATOM 583 N ASP 38 -15.328 32.407 5.928 1.00 21.22 ATOM 584 HN ASP 38 -15.328 32.547 6.899 1.00 37.83 ATOM 585 CA ASP 38 -14.650 33.383 5.062 1.00 74.23 ATOM 586 HA ASP 38 -15.389 33.772 4.376 1.00 23.04 ATOM 587 CB ASP 38 -14.098 34.547 5.899 1.00 41.22 ATOM 588 HB1 ASP 38 -14.926 35.102 6.322 1.00 37.83 ATOM 589 HB2 ASP 38 -13.528 35.203 5.257 1.00 52.32 ATOM 590 CG ASP 38 -13.197 34.083 7.034 1.00 24.41 ATOM 591 OD1 ASP 38 -11.988 33.879 6.798 1.00 32.21 ATOM 592 OD2 ASP 38 -13.696 33.916 8.166 1.00 52.13 ATOM 593 C ASP 38 -13.524 32.724 4.241 1.00 51.31 ATOM 594 O ASP 38 -13.387 32.970 3.037 1.00 14.14 ATOM 595 N LYS 39 -12.737 31.874 4.900 1.00 54.34 ATOM 596 HN LYS 39 -12.895 31.737 5.859 1.00 37.83 ATOM 597 CA LYS 39 -11.639 31.145 4.252 1.00 32.05 ATOM 598 HA LYS 39 -10.879 31.862 3.975 1.00 1.21 ATOM 599 CB LYS 39 -11.040 30.138 5.249 1.00 14.42 ATOM 600 HB1 LYS 39 -11.803 29.421 5.520 1.00 37.83 ATOM 601 HB2 LYS 39 -10.734 30.673 6.138 1.00 2.02 ATOM 602 CG LYS 39 -9.832 29.374 4.716 1.00 4.02 ATOM 603 HG1 LYS 39 -9.024 30.073 4.542 1.00 37.83 ATOM 604 HG2 LYS 39 -10.104 28.902 3.783 1.00 11.54 ATOM 605 CD LYS 39 -9.358 28.298 5.691 1.00 61.02 ATOM 606 HD1 LYS 39 -8.542 27.752 5.236 1.00 37.83 ATOM 607 HD2 LYS 39 -10.176 27.621 5.888 1.00 73.12 ATOM 608 CE LYS 39 -8.881 28.885 7.018 1.00 35.54 ATOM 609 HE1 LYS 39 -8.629 28.073 7.684 1.00 37.83 ATOM 610 HE2 LYS 39 -9.683 29.465 7.452 1.00 35.22 ATOM 611 NZ LYS 39 -7.690 29.761 6.854 1.00 73.10 ATOM 612 HZ1 LYS 39 -6.919 29.237 6.392 1.00 14.41 ATOM 613 HZ2 LYS 39 -7.358 30.090 7.783 1.00 62.11 ATOM 614 HZ3 LYS 39 -7.927 30.593 6.273 1.00 2.31 ATOM 615 C LYS 39 -12.127 30.415 2.987 1.00 5.35 ATOM 616 O LYS 39 -11.473 30.440 1.941 1.00 65.11 ATOM 617 N ILE 40 -13.306 29.803 3.094 1.00 21.13 ATOM 618 HN ILE 40 -13.794 29.879 3.941 1.00 37.83 ATOM 619 CA ILE 40 -13.916 29.028 2.002 1.00 51.52 ATOM 620 HA ILE 40 -13.319 28.137 1.852 1.00 41.14 ATOM 621 CB ILE 40 -15.351 28.588 2.390 1.00 2.22 ATOM 622 HB ILE 40 -15.920 29.478 2.619 1.00 55.02 ATOM 623 CG1 ILE 40 -15.312 27.695 3.640 1.00 50.43 ATOM 624 HG11 ILE 40 -14.853 28.244 4.452 1.00 37.83 ATOM 625 HG12 ILE 40 -14.719 26.817 3.429 1.00 10.32 ATOM 626 CG2 ILE 40 -16.049 27.876 1.230 1.00 75.00 ATOM 627 HG21 ILE 40 -17.051 27.597 1.525 1.00 31.23 ATOM 628 HG22 ILE 40 -15.495 26.987 0.965 1.00 5.41 ATOM 629 HG23 ILE 40 -16.099 28.536 0.375 1.00 44.10 ATOM 630 CD1 ILE 40 -16.675 27.230 4.108 1.00 24.31 ATOM 631 HD11 ILE 40 -17.138 26.637 3.333 1.00 12.11 ATOM 632 HD12 ILE 40 -17.294 28.088 4.325 1.00 34.15 ATOM 633 HD13 ILE 40 -16.563 26.631 4.999 1.00 53.30 ATOM 634 C ILE 40 -13.978 29.815 0.678 1.00 13.34 ATOM 635 O ILE 40 -13.687 29.276 -0.394 1.00 60.15 ATOM 636 N VAL 41 -14.358 31.089 0.754 1.00 10.15 ATOM 637 HN VAL 41 -14.523 31.486 1.637 1.00 37.83 ATOM 638 CA VAL 41 -14.538 31.914 -0.448 1.00 24.42 ATOM 639 HA VAL 41 -14.859 31.264 -1.252 1.00 62.54 ATOM 640 CB VAL 41 -15.643 32.984 -0.226 1.00 12.20 ATOM 641 HB VAL 41 -15.293 33.677 0.527 1.00 25.15 ATOM 642 CG1 VAL 41 -15.911 33.780 -1.506 1.00 33.31 ATOM 643 HG11 VAL 41 -16.233 33.110 -2.292 1.00 61.44 ATOM 644 HG12 VAL 41 -15.005 34.282 -1.812 1.00 22.03 ATOM 645 HG13 VAL 41 -16.682 34.514 -1.321 1.00 2.25 ATOM 646 CG2 VAL 41 -16.928 32.335 0.295 1.00 23.11 ATOM 647 HG21 VAL 41 -16.721 31.820 1.221 1.00 23.22 ATOM 648 HG22 VAL 41 -17.303 31.629 -0.433 1.00 32.24 ATOM 649 HG23 VAL 41 -17.674 33.099 0.470 1.00 24.40 ATOM 650 C VAL 41 -13.233 32.617 -0.877 1.00 33.02 ATOM 651 O VAL 41 -12.958 32.758 -2.069 1.00 73.43 ATOM 652 N ASN 42 -12.425 33.034 0.096 1.00 30.03 ATOM 653 HN ASN 42 -12.632 32.793 1.023 1.00 37.83 ATOM 654 CA ASN 42 -11.229 33.845 -0.188 1.00 5.43 ATOM 655 HA ASN 42 -11.499 34.539 -0.974 1.00 21.32 ATOM 656 CB ASN 42 -10.840 34.663 1.049 1.00 75.20 ATOM 657 HB1 ASN 42 -9.856 35.086 0.902 1.00 37.83 ATOM 658 HB2 ASN 42 -10.825 34.016 1.914 1.00 42.02 ATOM 659 CG ASN 42 -11.818 35.795 1.305 1.00 72.23 ATOM 660 OD1 ASN 42 -11.652 36.898 0.799 1.00 40.04 ATOM 661 ND2 ASN 42 -12.845 35.538 2.086 1.00 1.21 ATOM 662 HD21 ASN 42 -12.929 34.642 2.459 1.00 73.15 ATOM 663 HD22 ASN 42 -13.490 36.258 2.252 1.00 13.32 ATOM 664 C ASN 42 -10.026 33.019 -0.685 1.00 11.20 ATOM 665 O ASN 42 -9.133 33.564 -1.342 1.00 62.22 ATOM 666 N LEU 43 -9.983 31.722 -0.373 1.00 34.04 ATOM 667 HN LEU 43 -10.688 31.340 0.193 1.00 37.83 ATOM 668 CA LEU 43 -8.891 30.856 -0.858 1.00 23.12 ATOM 669 HA LEU 43 -7.958 31.332 -0.590 1.00 1.52 ATOM 670 CB LEU 43 -8.943 29.467 -0.196 1.00 12.24 ATOM 671 HB1 LEU 43 -8.292 28.803 -0.752 1.00 37.83 ATOM 672 HB2 LEU 43 -9.954 29.094 -0.274 1.00 5.32 ATOM 673 CG LEU 43 -8.526 29.411 1.281 1.00 4.45 ATOM 674 HG LEU 43 -9.248 29.959 1.870 1.00 44.24 ATOM 675 CD1 LEU 43 -8.522 27.967 1.776 1.00 64.24 ATOM 676 HD11 LEU 43 -8.219 27.941 2.813 1.00 3.21 ATOM 677 HD12 LEU 43 -7.831 27.384 1.184 1.00 54.12 ATOM 678 HD13 LEU 43 -9.515 27.551 1.683 1.00 44.05 ATOM 679 CD2 LEU 43 -7.157 30.058 1.489 1.00 4.11 ATOM 680 HD21 LEU 43 -6.872 29.974 2.529 1.00 0.25 ATOM 681 HD22 LEU 43 -7.205 31.101 1.215 1.00 72.20 ATOM 682 HD23 LEU 43 -6.421 29.559 0.873 1.00 2.13 ATOM 683 C LEU 43 -8.932 30.686 -2.387 1.00 41.23 ATOM 684 O LEU 43 -10.007 30.587 -2.978 1.00 61.24 ATOM 685 N PRO 44 -7.758 30.641 -3.050 1.00 25.52 ATOM 686 CA PRO 44 -7.680 30.363 -4.496 1.00 1.32 ATOM 687 HA PRO 44 -8.215 31.110 -5.068 1.00 20.23 ATOM 688 CB PRO 44 -6.177 30.452 -4.804 1.00 13.12 ATOM 689 HB1 PRO 44 -5.952 31.416 -5.240 1.00 37.83 ATOM 690 HB2 PRO 44 -5.896 29.670 -5.497 1.00 42.44 ATOM 691 CG PRO 44 -5.499 30.281 -3.485 1.00 3.34 ATOM 692 HG1 PRO 44 -4.555 30.808 -3.483 1.00 37.83 ATOM 693 HG2 PRO 44 -5.340 29.229 -3.289 1.00 43.31 ATOM 694 CD PRO 44 -6.428 30.866 -2.459 1.00 21.11 ATOM 695 HD1 PRO 44 -6.238 31.922 -2.329 1.00 37.83 ATOM 696 HD2 PRO 44 -6.328 30.343 -1.516 1.00 24.32 ATOM 697 C PRO 44 -8.232 28.968 -4.848 1.00 2.43 ATOM 698 O PRO 44 -8.298 28.085 -3.991 1.00 32.35 ATOM 699 N VAL 45 -8.612 28.766 -6.111 1.00 31.42 ATOM 700 HN VAL 45 -8.424 29.458 -6.783 1.00 37.83 ATOM 701 CA VAL 45 -9.300 27.531 -6.520 1.00 62.43 ATOM 702 HA VAL 45 -10.227 27.497 -5.963 1.00 12.03 ATOM 703 CB VAL 45 -9.670 27.551 -8.027 1.00 34.01 ATOM 704 HB VAL 45 -10.332 28.391 -8.195 1.00 74.32 ATOM 705 CG1 VAL 45 -8.436 27.754 -8.902 1.00 52.14 ATOM 706 HG11 VAL 45 -7.732 26.953 -8.725 1.00 43.04 ATOM 707 HG12 VAL 45 -7.972 28.699 -8.660 1.00 51.34 ATOM 708 HG13 VAL 45 -8.727 27.753 -9.942 1.00 72.41 ATOM 709 CG2 VAL 45 -10.419 26.277 -8.420 1.00 22.43 ATOM 710 HG21 VAL 45 -11.319 26.188 -7.826 1.00 14.11 ATOM 711 HG22 VAL 45 -9.789 25.417 -8.245 1.00 72.44 ATOM 712 HG23 VAL 45 -10.684 26.321 -9.467 1.00 2.02 ATOM 713 C VAL 45 -8.502 26.250 -6.183 1.00 32.33 ATOM 714 O VAL 45 -9.071 25.286 -5.665 1.00 11.31 ATOM 715 N ASP 46 -7.196 26.239 -6.462 1.00 15.15 ATOM 716 HN ASP 46 -6.795 27.019 -6.901 1.00 37.83 ATOM 717 CA ASP 46 -6.347 25.084 -6.129 1.00 61.23 ATOM 718 HA ASP 46 -6.744 24.226 -6.654 1.00 72.24 ATOM 719 CB ASP 46 -4.904 25.319 -6.594 1.00 33.32 ATOM 720 HB1 ASP 46 -4.256 24.588 -6.127 1.00 37.83 ATOM 721 HB2 ASP 46 -4.592 26.309 -6.294 1.00 4.02 ATOM 722 CG ASP 46 -4.751 25.203 -8.100 1.00 12.34 ATOM 723 OD1 ASP 46 -5.067 26.178 -8.817 1.00 52.04 ATOM 724 OD2 ASP 46 -4.315 24.132 -8.579 1.00 14.45 ATOM 725 C ASP 46 -6.370 24.788 -4.620 1.00 32.31 ATOM 726 O ASP 46 -6.706 23.679 -4.197 1.00 43.05 ATOM 727 N ASP 47 -6.034 25.793 -3.811 1.00 24.23 ATOM 728 HN ASP 47 -5.776 26.653 -4.203 1.00 37.83 ATOM 729 CA ASP 47 -6.034 25.646 -2.352 1.00 43.44 ATOM 730 HA ASP 47 -5.392 24.808 -2.114 1.00 33.14 ATOM 731 CB ASP 47 -5.459 26.903 -1.690 1.00 53.14 ATOM 732 HB1 ASP 47 -5.613 26.846 -0.622 1.00 37.83 ATOM 733 HB2 ASP 47 -5.972 27.774 -2.076 1.00 42.03 ATOM 734 CG ASP 47 -3.973 27.059 -1.956 1.00 41.10 ATOM 735 OD1 ASP 47 -3.164 26.562 -1.146 1.00 12.14 ATOM 736 OD2 ASP 47 -3.603 27.665 -2.984 1.00 75.45 ATOM 737 C ASP 47 -7.441 25.344 -1.806 1.00 41.33 ATOM 738 O ASP 47 -7.577 24.750 -0.741 1.00 24.22 ATOM 739 N PHE 48 -8.479 25.749 -2.540 1.00 33.11 ATOM 740 HN PHE 48 -8.313 26.290 -3.340 1.00 37.83 ATOM 741 CA PHE 48 -9.864 25.419 -2.174 1.00 42.14 ATOM 742 HA PHE 48 -10.003 25.692 -1.136 1.00 11.15 ATOM 743 CB PHE 48 -10.855 26.217 -3.032 1.00 11.55 ATOM 744 HB1 PHE 48 -10.644 26.035 -4.076 1.00 37.83 ATOM 745 HB2 PHE 48 -10.734 27.272 -2.826 1.00 74.22 ATOM 746 CG PHE 48 -12.297 25.857 -2.776 1.00 51.13 ATOM 747 CD1 PHE 48 -13.033 25.157 -3.722 1.00 23.34 ATOM 748 HD1 PHE 48 -12.566 24.875 -4.654 1.00 3.22 ATOM 749 CD2 PHE 48 -12.914 26.210 -1.583 1.00 13.14 ATOM 750 HD2 PHE 48 -12.352 26.753 -0.836 1.00 43.12 ATOM 751 CE1 PHE 48 -14.351 24.821 -3.485 1.00 34.00 ATOM 752 HE1 PHE 48 -14.912 24.277 -4.230 1.00 2.24 ATOM 753 CE2 PHE 48 -14.232 25.876 -1.343 1.00 22.41 ATOM 754 HE2 PHE 48 -14.700 26.156 -0.412 1.00 74.32 ATOM 755 CZ PHE 48 -14.951 25.180 -2.295 1.00 70.41 ATOM 756 HZ PHE 48 -15.983 24.919 -2.110 1.00 52.15 ATOM 757 C PHE 48 -10.126 23.912 -2.327 1.00 71.11 ATOM 758 O PHE 48 -10.624 23.259 -1.410 1.00 33.41 ATOM 759 N ASN 49 -9.783 23.363 -3.492 1.00 41.44 ATOM 760 HN ASN 49 -9.440 23.939 -4.208 1.00 37.83 ATOM 761 CA ASN 49 -9.897 21.919 -3.722 1.00 74.31 ATOM 762 HA ASN 49 -10.929 21.640 -3.549 1.00 73.13 ATOM 763 CB ASN 49 -9.522 21.566 -5.169 1.00 32.44 ATOM 764 HB1 ASN 49 -9.405 20.495 -5.253 1.00 37.83 ATOM 765 HB2 ASN 49 -8.586 22.045 -5.421 1.00 1.24 ATOM 766 CG ASN 49 -10.576 22.013 -6.170 1.00 72.31 ATOM 767 OD1 ASN 49 -11.530 21.292 -6.445 1.00 43.35 ATOM 768 ND2 ASN 49 -10.407 23.189 -6.741 1.00 25.41 ATOM 769 HD21 ASN 49 -9.619 23.715 -6.498 1.00 2.43 ATOM 770 HD22 ASN 49 -11.078 23.485 -7.391 1.00 61.34 ATOM 771 C ASN 49 -9.009 21.139 -2.741 1.00 0.42 ATOM 772 O ASN 49 -9.394 20.081 -2.236 1.00 11.51 ATOM 773 N GLU 50 -7.822 21.675 -2.472 1.00 34.00 ATOM 774 HN GLU 50 -7.552 22.495 -2.943 1.00 37.83 ATOM 775 CA GLU 50 -6.900 21.073 -1.505 1.00 40.53 ATOM 776 HA GLU 50 -6.876 20.009 -1.698 1.00 32.22 ATOM 777 CB GLU 50 -5.485 21.636 -1.688 1.00 0.31 ATOM 778 HB1 GLU 50 -4.866 21.306 -0.865 1.00 37.83 ATOM 779 HB2 GLU 50 -5.536 22.716 -1.676 1.00 63.51 ATOM 780 CG GLU 50 -4.817 21.203 -2.991 1.00 4.44 ATOM 781 HG1 GLU 50 -5.410 21.569 -3.819 1.00 37.83 ATOM 782 HG2 GLU 50 -4.788 20.123 -3.025 1.00 4.22 ATOM 783 CD GLU 50 -3.397 21.727 -3.136 1.00 30.41 ATOM 784 OE1 GLU 50 -3.027 22.170 -4.245 1.00 32.32 ATOM 785 OE2 GLU 50 -2.640 21.697 -2.140 1.00 32.13 ATOM 786 C GLU 50 -7.374 21.290 -0.060 1.00 1.45 ATOM 787 O GLU 50 -7.058 20.499 0.820 1.00 63.52 ATOM 788 N LEU 51 -8.133 22.360 0.178 1.00 23.55 ATOM 789 HN LEU 51 -8.311 22.986 -0.555 1.00 37.83 ATOM 790 CA LEU 51 -8.710 22.638 1.503 1.00 31.42 ATOM 791 HA LEU 51 -7.898 22.859 2.182 1.00 33.32 ATOM 792 CB LEU 51 -9.643 23.858 1.417 1.00 75.13 ATOM 793 HB1 LEU 51 -10.436 23.622 0.721 1.00 37.83 ATOM 794 HB2 LEU 51 -9.076 24.686 1.014 1.00 22.20 ATOM 795 CG LEU 51 -10.287 24.314 2.737 1.00 61.24 ATOM 796 HG LEU 51 -10.798 23.475 3.188 1.00 62.22 ATOM 797 CD1 LEU 51 -9.226 24.797 3.723 1.00 71.12 ATOM 798 HD11 LEU 51 -8.529 23.996 3.926 1.00 55.54 ATOM 799 HD12 LEU 51 -9.703 25.099 4.645 1.00 20.54 ATOM 800 HD13 LEU 51 -8.697 25.639 3.300 1.00 51.55 ATOM 801 CD2 LEU 51 -11.320 25.408 2.474 1.00 62.12 ATOM 802 HD21 LEU 51 -12.105 25.020 1.841 1.00 70.22 ATOM 803 HD22 LEU 51 -10.845 26.245 1.983 1.00 4.23 ATOM 804 HD23 LEU 51 -11.744 25.736 3.412 1.00 13.52 ATOM 805 C LEU 51 -9.484 21.419 2.025 1.00 64.10 ATOM 806 O LEU 51 -9.367 21.038 3.190 1.00 71.42 ATOM 807 N LEU 52 -10.248 20.798 1.129 1.00 72.23 ATOM 808 HN LEU 52 -10.280 21.149 0.215 1.00 37.83 ATOM 809 CA LEU 52 -11.053 19.617 1.460 1.00 64.30 ATOM 810 HA LEU 52 -11.588 19.826 2.376 1.00 34.43 ATOM 811 CB LEU 52 -12.072 19.368 0.340 1.00 4.41 ATOM 812 HB1 LEU 52 -12.715 18.552 0.640 1.00 37.83 ATOM 813 HB2 LEU 52 -11.533 19.070 -0.550 1.00 15.30 ATOM 814 CG LEU 52 -12.959 20.578 -0.013 1.00 41.33 ATOM 815 HG LEU 52 -12.324 21.401 -0.312 1.00 71.54 ATOM 816 CD1 LEU 52 -13.883 20.256 -1.185 1.00 1.45 ATOM 817 HD11 LEU 52 -13.293 19.951 -2.036 1.00 22.53 ATOM 818 HD12 LEU 52 -14.457 21.134 -1.442 1.00 64.21 ATOM 819 HD13 LEU 52 -14.556 19.457 -0.907 1.00 64.22 ATOM 820 CD2 LEU 52 -13.771 21.030 1.200 1.00 34.22 ATOM 821 HD21 LEU 52 -14.414 20.225 1.526 1.00 62.53 ATOM 822 HD22 LEU 52 -14.375 21.885 0.931 1.00 34.14 ATOM 823 HD23 LEU 52 -13.102 21.304 2.003 1.00 55.52 ATOM 824 C LEU 52 -10.179 18.362 1.671 1.00 53.41 ATOM 825 O LEU 52 -10.631 17.369 2.240 1.00 52.40 ATOM 826 N ALA 53 -8.943 18.399 1.167 1.00 72.03 ATOM 827 HN ALA 53 -8.674 19.178 0.643 1.00 37.83 ATOM 828 CA ALA 53 -7.974 17.309 1.375 1.00 53.24 ATOM 829 HA ALA 53 -8.530 16.388 1.492 1.00 14.13 ATOM 830 CB ALA 53 -7.078 17.164 0.149 1.00 62.12 ATOM 831 HB1 ALA 53 -6.483 18.058 0.030 1.00 53.20 ATOM 832 HB2 ALA 53 -7.689 17.021 -0.731 1.00 30.02 ATOM 833 HB3 ALA 53 -6.426 16.312 0.277 1.00 71.34 ATOM 834 C ALA 53 -7.124 17.538 2.640 1.00 60.44 ATOM 835 O ALA 53 -6.738 16.591 3.328 1.00 62.05 ATOM 836 N ARG 54 -6.825 18.807 2.923 1.00 44.23 ATOM 837 HN ARG 54 -7.168 19.509 2.337 1.00 37.83 ATOM 838 CA ARG 54 -6.013 19.190 4.086 1.00 71.34 ATOM 839 HA ARG 54 -5.166 18.521 4.135 1.00 14.13 ATOM 840 CB ARG 54 -5.504 20.634 3.918 1.00 63.40 ATOM 841 HB1 ARG 54 -4.900 20.891 4.776 1.00 37.83 ATOM 842 HB2 ARG 54 -6.356 21.300 3.879 1.00 11.25 ATOM 843 CG ARG 54 -4.665 20.856 2.656 1.00 10.51 ATOM 844 HG1 ARG 54 -5.206 20.470 1.804 1.00 37.83 ATOM 845 HG2 ARG 54 -3.730 20.323 2.758 1.00 10.40 ATOM 846 CD ARG 54 -4.364 22.338 2.423 1.00 55.32 ATOM 847 HD1 ARG 54 -3.729 22.695 3.221 1.00 37.83 ATOM 848 HD2 ARG 54 -5.295 22.888 2.436 1.00 33.03 ATOM 849 NE ARG 54 -3.692 22.579 1.141 1.00 44.12 ATOM 850 HE ARG 54 -3.352 21.804 0.654 1.00 31.43 ATOM 851 CZ ARG 54 -3.519 23.764 0.608 1.00 72.31 ATOM 852 NH1 ARG 54 -3.947 24.832 1.200 1.00 4.42 ATOM 853 HH11 ARG 54 -4.415 24.764 2.072 1.00 54.35 ATOM 854 HH12 ARG 54 -3.801 25.725 0.772 1.00 63.11 ATOM 855 NH2 ARG 54 -2.924 23.880 -0.529 1.00 35.34 ATOM 856 HH21 ARG 54 -2.594 23.066 -1.007 1.00 73.10 ATOM 857 HH22 ARG 54 -2.792 24.786 -0.930 1.00 23.54 ATOM 858 C ARG 54 -6.824 19.064 5.387 1.00 25.03 ATOM 859 O ARG 54 -6.284 18.736 6.446 1.00 73.33 ATOM 860 N TYR 55 -8.124 19.341 5.298 1.00 63.51 ATOM 861 HN TYR 55 -8.486 19.643 4.436 1.00 37.83 ATOM 862 CA TYR 55 -9.037 19.207 6.437 1.00 73.33 ATOM 863 HA TYR 55 -8.443 19.021 7.322 1.00 44.41 ATOM 864 CB TYR 55 -9.834 20.504 6.633 1.00 32.51 ATOM 865 HB1 TYR 55 -10.543 20.364 7.438 1.00 37.83 ATOM 866 HB2 TYR 55 -10.377 20.724 5.724 1.00 12.44 ATOM 867 CG TYR 55 -8.977 21.719 6.967 1.00 23.02 ATOM 868 CD1 TYR 55 -8.977 22.271 8.245 1.00 51.12 ATOM 869 HD1 TYR 55 -9.596 21.824 9.010 1.00 23.42 ATOM 870 CD2 TYR 55 -8.171 22.312 6.002 1.00 51.44 ATOM 871 HD2 TYR 55 -8.155 21.897 5.005 1.00 24.21 ATOM 872 CE1 TYR 55 -8.205 23.378 8.546 1.00 24.24 ATOM 873 HE1 TYR 55 -8.221 23.790 9.543 1.00 64.21 ATOM 874 CE2 TYR 55 -7.394 23.417 6.297 1.00 53.34 ATOM 875 HE2 TYR 55 -6.775 23.861 5.531 1.00 23.31 ATOM 876 CZ TYR 55 -7.414 23.947 7.569 1.00 23.35 ATOM 877 OH TYR 55 -6.645 25.054 7.861 1.00 4.44 ATOM 878 HH TYR 55 -6.339 25.003 8.777 1.00 23.12 ATOM 879 C TYR 55 -10.001 18.025 6.222 1.00 23.33 ATOM 880 O TYR 55 -10.661 17.941 5.187 1.00 23.41 ATOM 881 N PRO 56 -10.103 17.102 7.200 1.00 64.02 ATOM 882 CA PRO 56 -10.932 15.885 7.069 1.00 65.14 ATOM 883 HA PRO 56 -10.659 15.320 6.186 1.00 24.33 ATOM 884 CB PRO 56 -10.562 15.077 8.323 1.00 24.30 ATOM 885 HB1 PRO 56 -9.757 14.393 8.090 1.00 37.83 ATOM 886 HB2 PRO 56 -11.422 14.520 8.673 1.00 4.11 ATOM 887 CG PRO 56 -10.130 16.106 9.311 1.00 12.22 ATOM 888 HG1 PRO 56 -9.451 15.669 10.029 1.00 37.83 ATOM 889 HG2 PRO 56 -10.994 16.519 9.815 1.00 22.45 ATOM 890 CD PRO 56 -9.429 17.169 8.511 1.00 10.32 ATOM 891 HD1 PRO 56 -8.376 16.941 8.417 1.00 37.83 ATOM 892 HD2 PRO 56 -9.566 18.138 8.969 1.00 25.22 ATOM 893 C PRO 56 -12.445 16.178 7.031 1.00 22.41 ATOM 894 O PRO 56 -13.047 16.549 8.042 1.00 31.34 ATOM 895 N LEU 57 -13.052 16.010 5.855 1.00 43.21 ATOM 896 HN LEU 57 -12.515 15.746 5.079 1.00 37.83 ATOM 897 CA LEU 57 -14.495 16.230 5.681 1.00 15.13 ATOM 898 HA LEU 57 -14.939 16.339 6.660 1.00 71.14 ATOM 899 CB LEU 57 -14.744 17.517 4.876 1.00 73.04 ATOM 900 HB1 LEU 57 -15.810 17.623 4.731 1.00 37.83 ATOM 901 HB2 LEU 57 -14.280 17.403 3.903 1.00 52.33 ATOM 902 CG LEU 57 -14.217 18.814 5.511 1.00 65.50 ATOM 903 HG LEU 57 -13.148 18.731 5.646 1.00 52.04 ATOM 904 CD1 LEU 57 -14.481 20.002 4.593 1.00 21.24 ATOM 905 HD11 LEU 57 -13.969 19.852 3.654 1.00 35.41 ATOM 906 HD12 LEU 57 -14.116 20.906 5.059 1.00 1.33 ATOM 907 HD13 LEU 57 -15.543 20.093 4.414 1.00 71.41 ATOM 908 CD2 LEU 57 -14.849 19.045 6.883 1.00 55.25 ATOM 909 HD21 LEU 57 -14.459 19.958 7.310 1.00 75.15 ATOM 910 HD22 LEU 57 -14.611 18.216 7.534 1.00 3.14 ATOM 911 HD23 LEU 57 -15.921 19.126 6.781 1.00 61.43 ATOM 912 C LEU 57 -15.167 15.044 4.969 1.00 51.41 ATOM 913 O LEU 57 -14.550 14.364 4.149 1.00 25.30 ATOM 914 N THR 58 -16.436 14.797 5.297 1.00 12.34 ATOM 915 HN THR 58 -16.844 15.306 6.026 1.00 37.83 ATOM 916 CA THR 58 -17.238 13.777 4.606 1.00 73.11 ATOM 917 HA THR 58 -16.579 12.967 4.322 1.00 2.23 ATOM 918 CB THR 58 -18.355 13.204 5.515 1.00 25.20 ATOM 919 HB THR 58 -18.841 12.390 4.990 1.00 3.02 ATOM 920 OG1 THR 58 -19.336 14.217 5.805 1.00 45.25 ATOM 921 HG1 THR 58 -19.350 14.393 6.759 1.00 14.02 ATOM 922 CG2 THR 58 -17.777 12.662 6.818 1.00 21.44 ATOM 923 HG21 THR 58 -17.288 13.461 7.355 1.00 14.21 ATOM 924 HG22 THR 58 -17.059 11.884 6.600 1.00 12.53 ATOM 925 HG23 THR 58 -18.573 12.256 7.425 1.00 23.01 ATOM 926 C THR 58 -17.879 14.366 3.339 1.00 33.23 ATOM 927 O THR 58 -18.016 15.583 3.222 1.00 51.11 ATOM 928 N GLU 59 -18.283 13.504 2.403 1.00 22.54 ATOM 929 HN GLU 59 -18.233 12.541 2.595 1.00 37.83 ATOM 930 CA GLU 59 -18.798 13.944 1.088 1.00 64.44 ATOM 931 HA GLU 59 -17.945 14.256 0.501 1.00 60.14 ATOM 932 CB GLU 59 -19.477 12.776 0.366 1.00 74.02 ATOM 933 HB1 GLU 59 -19.894 13.136 -0.566 1.00 37.83 ATOM 934 HB2 GLU 59 -20.279 12.401 0.987 1.00 21.32 ATOM 935 CG GLU 59 -18.535 11.617 0.052 1.00 22.53 ATOM 936 HG1 GLU 59 -18.190 11.188 0.983 1.00 37.83 ATOM 937 HG2 GLU 59 -17.686 11.997 -0.500 1.00 72.44 ATOM 938 CD GLU 59 -19.200 10.526 -0.770 1.00 74.43 ATOM 939 OE1 GLU 59 -19.820 9.618 -0.179 1.00 21.30 ATOM 940 OE2 GLU 59 -19.113 10.576 -2.013 1.00 42.43 ATOM 941 C GLU 59 -19.777 15.132 1.182 1.00 72.22 ATOM 942 O GLU 59 -19.619 16.132 0.477 1.00 53.14 ATOM 943 N SER 60 -20.779 15.027 2.054 1.00 3.24 ATOM 944 HN SER 60 -20.859 14.211 2.593 1.00 37.83 ATOM 945 CA SER 60 -21.770 16.104 2.226 1.00 64.42 ATOM 946 HA SER 60 -22.199 16.309 1.254 1.00 51.03 ATOM 947 CB SER 60 -22.894 15.668 3.174 1.00 1.31 ATOM 948 HB1 SER 60 -23.580 16.490 3.323 1.00 37.83 ATOM 949 HB2 SER 60 -22.470 15.379 4.124 1.00 10.32 ATOM 950 OG SER 60 -23.614 14.565 2.646 1.00 34.43 ATOM 951 HG SER 60 -23.305 13.750 3.062 1.00 20.30 ATOM 952 C SER 60 -21.125 17.394 2.753 1.00 43.13 ATOM 953 O SER 60 -21.580 18.494 2.445 1.00 11.22 ATOM 954 N GLN 61 -20.067 17.257 3.553 1.00 35.51 ATOM 955 HN GLN 61 -19.769 16.358 3.805 1.00 37.83 ATOM 956 CA GLN 61 -19.329 18.422 4.056 1.00 14.04 ATOM 957 HA GLN 61 -20.052 19.111 4.477 1.00 1.31 ATOM 958 CB GLN 61 -18.343 18.008 5.158 1.00 12.02 ATOM 959 HB1 GLN 61 -17.735 18.862 5.424 1.00 37.83 ATOM 960 HB2 GLN 61 -17.699 17.228 4.772 1.00 2.15 ATOM 961 CG GLN 61 -19.018 17.487 6.422 1.00 60.40 ATOM 962 HG1 GLN 61 -19.599 16.610 6.169 1.00 37.83 ATOM 963 HG2 GLN 61 -19.676 18.253 6.805 1.00 44.21 ATOM 964 CD GLN 61 -18.024 17.115 7.508 1.00 63.52 ATOM 965 OE1 GLN 61 -17.584 15.975 7.606 1.00 64.22 ATOM 966 NE2 GLN 61 -17.655 18.073 8.329 1.00 64.23 ATOM 967 HE21 GLN 61 -18.029 18.964 8.200 1.00 23.34 ATOM 968 HE22 GLN 61 -17.020 17.852 9.040 1.00 21.24 ATOM 969 C GLN 61 -18.589 19.135 2.914 1.00 42.33 ATOM 970 O GLN 61 -18.566 20.363 2.854 1.00 10.31 ATOM 971 N LEU 62 -17.997 18.362 2.001 1.00 22.43 ATOM 972 HN LEU 62 -17.980 17.390 2.135 1.00 37.83 ATOM 973 CA LEU 62 -17.369 18.939 0.802 1.00 23.33 ATOM 974 HA LEU 62 -16.624 19.648 1.134 1.00 22.04 ATOM 975 CB LEU 62 -16.684 17.858 -0.056 1.00 20.24 ATOM 976 HB1 LEU 62 -16.468 18.287 -1.025 1.00 37.83 ATOM 977 HB2 LEU 62 -17.387 17.047 -0.196 1.00 11.54 ATOM 978 CG LEU 62 -15.373 17.269 0.510 1.00 55.22 ATOM 979 HG LEU 62 -14.744 18.078 0.856 1.00 54.13 ATOM 980 CD1 LEU 62 -15.640 16.363 1.699 1.00 20.53 ATOM 981 HD11 LEU 62 -16.250 15.526 1.388 1.00 2.25 ATOM 982 HD12 LEU 62 -16.159 16.919 2.466 1.00 65.02 ATOM 983 HD13 LEU 62 -14.703 15.998 2.093 1.00 33.14 ATOM 984 CD2 LEU 62 -14.608 16.515 -0.575 1.00 34.21 ATOM 985 HD21 LEU 62 -15.214 15.701 -0.947 1.00 10.15 ATOM 986 HD22 LEU 62 -13.689 16.122 -0.164 1.00 52.52 ATOM 987 HD23 LEU 62 -14.378 17.191 -1.386 1.00 62.41 ATOM 988 C LEU 62 -18.412 19.687 -0.042 1.00 75.24 ATOM 989 O LEU 62 -18.169 20.797 -0.523 1.00 51.22 ATOM 990 N ALA 63 -19.579 19.067 -0.210 1.00 1.25 ATOM 991 HN ALA 63 -19.690 18.161 0.151 1.00 37.83 ATOM 992 CA ALA 63 -20.699 19.692 -0.921 1.00 34.21 ATOM 993 HA ALA 63 -20.364 19.939 -1.920 1.00 71.52 ATOM 994 CB ALA 63 -21.858 18.710 -1.039 1.00 3.23 ATOM 995 HB1 ALA 63 -22.650 19.153 -1.626 1.00 21.01 ATOM 996 HB2 ALA 63 -22.232 18.472 -0.054 1.00 64.23 ATOM 997 HB3 ALA 63 -21.518 17.804 -1.520 1.00 3.34 ATOM 998 C ALA 63 -21.157 20.980 -0.216 1.00 52.05 ATOM 999 O ALA 63 -21.462 21.982 -0.867 1.00 23.32 ATOM 1000 N LEU 64 -21.195 20.941 1.120 1.00 34.44 ATOM 1001 HN LEU 64 -20.980 20.099 1.576 1.00 37.83 ATOM 1002 CA LEU 64 -21.559 22.112 1.928 1.00 30.30 ATOM 1003 HA LEU 64 -22.539 22.444 1.609 1.00 64.31 ATOM 1004 CB LEU 64 -21.626 21.731 3.415 1.00 61.23 ATOM 1005 HB1 LEU 64 -20.663 21.336 3.706 1.00 37.83 ATOM 1006 HB2 LEU 64 -22.365 20.948 3.533 1.00 74.42 ATOM 1007 CG LEU 64 -21.983 22.881 4.373 1.00 73.14 ATOM 1008 HG LEU 64 -21.287 23.694 4.217 1.00 71.13 ATOM 1009 CD1 LEU 64 -23.383 23.415 4.085 1.00 62.01 ATOM 1010 HD11 LEU 64 -24.107 22.625 4.217 1.00 72.54 ATOM 1011 HD12 LEU 64 -23.428 23.777 3.067 1.00 64.33 ATOM 1012 HD13 LEU 64 -23.607 24.227 4.762 1.00 14.31 ATOM 1013 CD2 LEU 64 -21.855 22.432 5.826 1.00 63.44 ATOM 1014 HD21 LEU 64 -22.547 21.623 6.019 1.00 54.41 ATOM 1015 HD22 LEU 64 -22.078 23.261 6.482 1.00 12.34 ATOM 1016 HD23 LEU 64 -20.846 22.092 6.008 1.00 11.35 ATOM 1017 C LEU 64 -20.557 23.263 1.732 1.00 51.10 ATOM 1018 O LEU 64 -20.947 24.397 1.468 1.00 30.23 ATOM 1019 N VAL 65 -19.265 22.960 1.859 1.00 13.11 ATOM 1020 HN VAL 65 -19.015 22.043 2.103 1.00 37.83 ATOM 1021 CA VAL 65 -18.206 23.958 1.649 1.00 31.55 ATOM 1022 HA VAL 65 -18.344 24.742 2.382 1.00 40.34 ATOM 1023 CB VAL 65 -16.798 23.339 1.858 1.00 61.25 ATOM 1024 HB VAL 65 -16.683 22.517 1.164 1.00 42.23 ATOM 1025 CG1 VAL 65 -15.694 24.355 1.578 1.00 22.11 ATOM 1026 HG11 VAL 65 -15.766 24.698 0.556 1.00 33.45 ATOM 1027 HG12 VAL 65 -14.729 23.892 1.733 1.00 10.14 ATOM 1028 HG13 VAL 65 -15.798 25.197 2.247 1.00 22.51 ATOM 1029 CG2 VAL 65 -16.666 22.785 3.275 1.00 4.43 ATOM 1030 HG21 VAL 65 -17.404 22.012 3.432 1.00 71.42 ATOM 1031 HG22 VAL 65 -16.821 23.579 3.992 1.00 52.44 ATOM 1032 HG23 VAL 65 -15.677 22.370 3.408 1.00 63.22 ATOM 1033 C VAL 65 -18.296 24.579 0.244 1.00 51.03 ATOM 1034 O VAL 65 -18.197 25.799 0.081 1.00 2.22 ATOM 1035 N ARG 66 -18.501 23.734 -0.768 1.00 72.51 ATOM 1036 HN ARG 66 -18.521 22.768 -0.585 1.00 37.83 ATOM 1037 CA ARG 66 -18.690 24.206 -2.144 1.00 75.31 ATOM 1038 HA ARG 66 -17.854 24.847 -2.389 1.00 62.14 ATOM 1039 CB ARG 66 -18.704 23.018 -3.119 1.00 44.40 ATOM 1040 HB1 ARG 66 -18.967 23.378 -4.103 1.00 37.83 ATOM 1041 HB2 ARG 66 -19.457 22.312 -2.794 1.00 22.11 ATOM 1042 CG ARG 66 -17.367 22.281 -3.220 1.00 54.35 ATOM 1043 HG1 ARG 66 -17.097 21.910 -2.240 1.00 37.83 ATOM 1044 HG2 ARG 66 -16.611 22.972 -3.564 1.00 33.31 ATOM 1045 CD ARG 66 -17.441 21.105 -4.193 1.00 64.35 ATOM 1046 HD1 ARG 66 -17.748 21.475 -5.161 1.00 37.83 ATOM 1047 HD2 ARG 66 -18.176 20.401 -3.831 1.00 33.11 ATOM 1048 NE ARG 66 -16.160 20.413 -4.337 1.00 32.23 ATOM 1049 HE ARG 66 -15.396 20.755 -3.828 1.00 41.22 ATOM 1050 CZ ARG 66 -15.978 19.358 -5.091 1.00 51.04 ATOM 1051 NH1 ARG 66 -16.935 18.899 -5.832 1.00 31.35 ATOM 1052 HH11 ARG 66 -17.824 19.349 -5.837 1.00 63.05 ATOM 1053 HH12 ARG 66 -16.775 18.095 -6.403 1.00 72.33 ATOM 1054 NH2 ARG 66 -14.826 18.778 -5.125 1.00 23.32 ATOM 1055 HH21 ARG 66 -14.071 19.134 -4.578 1.00 21.05 ATOM 1056 HH22 ARG 66 -14.694 17.970 -5.697 1.00 62.03 ATOM 1057 C ARG 66 -19.988 25.021 -2.288 1.00 54.31 ATOM 1058 O ARG 66 -20.094 25.893 -3.154 1.00 34.22 ATOM 1059 N ASP 67 -20.975 24.731 -1.440 1.00 63.13 ATOM 1060 HN ASP 67 -20.859 23.992 -0.805 1.00 37.83 ATOM 1061 CA ASP 67 -22.240 25.471 -1.444 1.00 63.53 ATOM 1062 HA ASP 67 -22.541 25.604 -2.474 1.00 61.54 ATOM 1063 CB ASP 67 -23.320 24.669 -0.705 1.00 71.22 ATOM 1064 HB1 ASP 67 -23.184 24.787 0.363 1.00 37.83 ATOM 1065 HB2 ASP 67 -23.219 23.624 -0.958 1.00 12.43 ATOM 1066 CG ASP 67 -24.723 25.118 -1.065 1.00 41.25 ATOM 1067 OD1 ASP 67 -25.359 24.464 -1.920 1.00 54.42 ATOM 1068 OD2 ASP 67 -25.200 26.123 -0.499 1.00 51.52 ATOM 1069 C ASP 67 -22.063 26.856 -0.799 1.00 14.03 ATOM 1070 O ASP 67 -22.537 27.863 -1.326 1.00 42.44 ATOM 1071 N ILE 68 -21.366 26.899 0.336 1.00 64.21 ATOM 1072 HN ILE 68 -21.051 26.060 0.732 1.00 37.83 ATOM 1073 CA ILE 68 -21.062 28.162 1.012 1.00 3.40 ATOM 1074 HA ILE 68 -22.003 28.628 1.279 1.00 13.01 ATOM 1075 CB ILE 68 -20.249 27.925 2.313 1.00 24.50 ATOM 1076 HB ILE 68 -19.332 27.414 2.048 1.00 22.13 ATOM 1077 CG1 ILE 68 -21.049 27.042 3.288 1.00 0.30 ATOM 1078 HG11 ILE 68 -21.286 26.104 2.804 1.00 37.83 ATOM 1079 HG12 ILE 68 -21.969 27.545 3.549 1.00 13.21 ATOM 1080 CG2 ILE 68 -19.877 29.256 2.971 1.00 25.42 ATOM 1081 HG21 ILE 68 -19.281 29.844 2.288 1.00 65.24 ATOM 1082 HG22 ILE 68 -19.308 29.069 3.870 1.00 12.32 ATOM 1083 HG23 ILE 68 -20.777 29.800 3.222 1.00 23.20 ATOM 1084 CD1 ILE 68 -20.316 26.725 4.577 1.00 53.41 ATOM 1085 HD11 ILE 68 -19.417 26.171 4.354 1.00 5.34 ATOM 1086 HD12 ILE 68 -20.954 26.133 5.218 1.00 74.13 ATOM 1087 HD13 ILE 68 -20.055 27.645 5.081 1.00 14.42 ATOM 1088 C ILE 68 -20.291 29.106 0.079 1.00 34.02 ATOM 1089 O ILE 68 -20.592 30.300 0.001 1.00 40.41 ATOM 1090 N ARG 69 -19.303 28.565 -0.639 1.00 41.22 ATOM 1091 HN ARG 69 -19.046 27.631 -0.472 1.00 37.83 ATOM 1092 CA ARG 69 -18.593 29.339 -1.662 1.00 34.23 ATOM 1093 HA ARG 69 -18.180 30.212 -1.177 1.00 20.23 ATOM 1094 CB ARG 69 -17.439 28.525 -2.276 1.00 22.22 ATOM 1095 HB1 ARG 69 -17.798 27.533 -2.512 1.00 37.83 ATOM 1096 HB2 ARG 69 -16.643 28.446 -1.547 1.00 32.02 ATOM 1097 CG ARG 69 -16.867 29.149 -3.553 1.00 31.30 ATOM 1098 HG1 ARG 69 -16.668 30.197 -3.367 1.00 37.83 ATOM 1099 HG2 ARG 69 -17.601 29.061 -4.339 1.00 65.45 ATOM 1100 CD ARG 69 -15.577 28.478 -4.013 1.00 22.12 ATOM 1101 HD1 ARG 69 -15.357 28.804 -5.021 1.00 37.83 ATOM 1102 HD2 ARG 69 -15.717 27.405 -4.007 1.00 52.53 ATOM 1103 NE ARG 69 -14.451 28.813 -3.145 1.00 45.15 ATOM 1104 HE ARG 69 -14.602 28.799 -2.178 1.00 20.34 ATOM 1105 CZ ARG 69 -13.266 29.150 -3.575 1.00 4.15 ATOM 1106 NH1 ARG 69 -12.991 29.150 -4.843 1.00 42.23 ATOM 1107 HH11 ARG 69 -13.688 28.885 -5.507 1.00 63.34 ATOM 1108 HH12 ARG 69 -12.084 29.415 -5.153 1.00 61.42 ATOM 1109 NH2 ARG 69 -12.348 29.470 -2.728 1.00 2.12 ATOM 1110 HH21 ARG 69 -12.548 29.453 -1.751 1.00 73.35 ATOM 1111 HH22 ARG 69 -11.445 29.744 -3.049 1.00 12.04 ATOM 1112 C ARG 69 -19.555 29.810 -2.764 1.00 12.35 ATOM 1113 O ARG 69 -19.423 30.917 -3.279 1.00 65.21 ATOM 1114 N ARG 70 -20.523 28.967 -3.118 1.00 3.41 ATOM 1115 HN ARG 70 -20.555 28.079 -2.703 1.00 37.83 ATOM 1116 CA ARG 70 -21.540 29.329 -4.113 1.00 73.14 ATOM 1117 HA ARG 70 -21.030 29.570 -5.037 1.00 1.24 ATOM 1118 CB ARG 70 -22.485 28.142 -4.358 1.00 10.14 ATOM 1119 HB1 ARG 70 -22.994 27.908 -3.433 1.00 37.83 ATOM 1120 HB2 ARG 70 -21.895 27.287 -4.656 1.00 53.21 ATOM 1121 CG ARG 70 -23.541 28.390 -5.435 1.00 12.11 ATOM 1122 HG1 ARG 70 -23.046 28.525 -6.387 1.00 37.83 ATOM 1123 HG2 ARG 70 -24.094 29.286 -5.185 1.00 31.44 ATOM 1124 CD ARG 70 -24.517 27.223 -5.544 1.00 74.02 ATOM 1125 HD1 ARG 70 -25.192 27.411 -6.368 1.00 37.83 ATOM 1126 HD2 ARG 70 -25.084 27.155 -4.625 1.00 71.43 ATOM 1127 NE ARG 70 -23.831 25.952 -5.770 1.00 5.00 ATOM 1128 HE ARG 70 -22.856 25.945 -5.700 1.00 41.30 ATOM 1129 CZ ARG 70 -24.430 24.827 -6.048 1.00 14.14 ATOM 1130 NH1 ARG 70 -25.720 24.771 -6.158 1.00 41.45 ATOM 1131 HH11 ARG 70 -26.267 25.591 -6.027 1.00 61.03 ATOM 1132 HH12 ARG 70 -26.162 23.903 -6.380 1.00 3.42 ATOM 1133 NH2 ARG 70 -23.730 23.754 -6.210 1.00 41.11 ATOM 1134 HH21 ARG 70 -22.738 23.791 -6.118 1.00 24.33 ATOM 1135 HH22 ARG 70 -24.183 22.890 -6.428 1.00 74.24 ATOM 1136 C ARG 70 -22.349 30.553 -3.654 1.00 25.45 ATOM 1137 O ARG 70 -22.498 31.528 -4.392 1.00 70.22 ATOM 1138 N ARG 71 -22.858 30.497 -2.425 1.00 33.42 ATOM 1139 HN ARG 71 -22.679 29.706 -1.872 1.00 37.83 ATOM 1140 CA ARG 71 -23.679 31.583 -1.877 1.00 11.01 ATOM 1141 HA ARG 71 -24.458 31.800 -2.594 1.00 32.25 ATOM 1142 CB ARG 71 -24.332 31.147 -0.554 1.00 23.30 ATOM 1143 HB1 ARG 71 -25.112 31.852 -0.303 1.00 37.83 ATOM 1144 HB2 ARG 71 -23.583 31.163 0.226 1.00 62.24 ATOM 1145 CG ARG 71 -24.947 29.748 -0.597 1.00 63.42 ATOM 1146 HG1 ARG 71 -25.466 29.567 0.335 1.00 37.83 ATOM 1147 HG2 ARG 71 -24.155 29.024 -0.710 1.00 32.22 ATOM 1148 CD ARG 71 -25.934 29.579 -1.750 1.00 20.42 ATOM 1149 HD1 ARG 71 -26.229 28.540 -1.803 1.00 37.83 ATOM 1150 HD2 ARG 71 -25.442 29.854 -2.672 1.00 72.20 ATOM 1151 NE ARG 71 -27.130 30.403 -1.589 1.00 2.20 ATOM 1152 HE ARG 71 -27.234 30.891 -0.749 1.00 55.14 ATOM 1153 CZ ARG 71 -28.075 30.508 -2.485 1.00 43.14 ATOM 1154 NH1 ARG 71 -27.991 29.879 -3.613 1.00 71.40 ATOM 1155 HH11 ARG 71 -27.202 29.310 -3.803 1.00 20.21 ATOM 1156 HH12 ARG 71 -28.721 29.968 -4.290 1.00 73.00 ATOM 1157 NH2 ARG 71 -29.110 31.239 -2.236 1.00 62.34 ATOM 1158 HH21 ARG 71 -29.181 31.719 -1.367 1.00 60.45 ATOM 1159 HH22 ARG 71 -29.846 31.314 -2.910 1.00 24.32 ATOM 1160 C ARG 71 -22.848 32.859 -1.659 1.00 20.32 ATOM 1161 O ARG 71 -23.324 33.969 -1.899 1.00 21.24 ATOM 1162 N GLY 72 -21.610 32.691 -1.198 1.00 65.15 ATOM 1163 HN GLY 72 -21.307 31.787 -0.962 1.00 37.83 ATOM 1164 CA GLY 72 -20.713 33.829 -1.017 1.00 0.00 ATOM 1165 HA1 GLY 72 -19.841 33.498 -0.473 1.00 37.83 ATOM 1166 HA2 GLY 72 -21.221 34.582 -0.434 1.00 4.14 ATOM 1167 C GLY 72 -20.263 34.449 -2.338 1.00 33.32 ATOM 1168 O GLY 72 -20.140 35.672 -2.456 1.00 14.31 ATOM 1169 N LYS 73 -20.017 33.604 -3.334 1.00 32.11 ATOM 1170 HN LYS 73 -20.095 32.643 -3.166 1.00 37.83 ATOM 1171 CA LYS 73 -19.632 34.064 -4.672 1.00 31.31 ATOM 1172 HA LYS 73 -18.752 34.684 -4.567 1.00 54.21 ATOM 1173 CB LYS 73 -19.292 32.863 -5.571 1.00 63.54 ATOM 1174 HB1 LYS 73 -20.145 32.199 -5.597 1.00 37.83 ATOM 1175 HB2 LYS 73 -18.453 32.333 -5.138 1.00 75.13 ATOM 1176 CG LYS 73 -18.930 33.237 -7.008 1.00 25.23 ATOM 1177 HG1 LYS 73 -18.054 33.872 -6.991 1.00 37.83 ATOM 1178 HG2 LYS 73 -19.756 33.777 -7.444 1.00 13.33 ATOM 1179 CD LYS 73 -18.635 32.006 -7.866 1.00 52.12 ATOM 1180 HD1 LYS 73 -18.552 32.313 -8.900 1.00 37.83 ATOM 1181 HD2 LYS 73 -19.453 31.306 -7.767 1.00 22.45 ATOM 1182 CE LYS 73 -17.339 31.318 -7.449 1.00 12.11 ATOM 1183 HE1 LYS 73 -17.271 30.366 -7.955 1.00 37.83 ATOM 1184 HE2 LYS 73 -17.356 31.154 -6.382 1.00 20.52 ATOM 1185 NZ LYS 73 -16.141 32.133 -7.792 1.00 63.30 ATOM 1186 HZ1 LYS 73 -16.218 33.083 -7.378 1.00 52.30 ATOM 1187 HZ2 LYS 73 -16.055 32.226 -8.825 1.00 73.42 ATOM 1188 HZ3 LYS 73 -15.280 31.680 -7.425 1.00 54.11 ATOM 1189 C LYS 73 -20.751 34.900 -5.308 1.00 73.42 ATOM 1190 O LYS 73 -20.485 35.812 -6.086 1.00 71.13 ATOM 1191 N ASN 74 -22.001 34.587 -4.963 1.00 11.43 ATOM 1192 HN ASN 74 -22.150 33.828 -4.357 1.00 37.83 ATOM 1193 CA ASN 74 -23.160 35.338 -5.463 1.00 21.44 ATOM 1194 HA ASN 74 -23.168 35.254 -6.540 1.00 22.55 ATOM 1195 CB ASN 74 -24.454 34.725 -4.899 1.00 3.43 ATOM 1196 HB1 ASN 74 -24.619 35.108 -3.900 1.00 37.83 ATOM 1197 HB2 ASN 74 -24.336 33.653 -4.844 1.00 23.13 ATOM 1198 CG ASN 74 -25.698 35.021 -5.731 1.00 54.23 ATOM 1199 OD1 ASN 74 -26.587 34.182 -5.838 1.00 54.04 ATOM 1200 ND2 ASN 74 -25.790 36.202 -6.316 1.00 11.52 ATOM 1201 HD21 ASN 74 -25.067 36.846 -6.192 1.00 33.31 ATOM 1202 HD22 ASN 74 -26.589 36.387 -6.850 1.00 24.41 ATOM 1203 C ASN 74 -23.044 36.828 -5.080 1.00 61.15 ATOM 1204 O ASN 74 -23.466 37.710 -5.828 1.00 13.42 ATOM 1205 N LYS 75 -22.458 37.088 -3.911 1.00 22.21 ATOM 1206 HN LYS 75 -22.205 36.335 -3.334 1.00 37.83 ATOM 1207 CA LYS 75 -22.186 38.458 -3.452 1.00 33.53 ATOM 1208 HA LYS 75 -23.122 38.999 -3.452 1.00 11.43 ATOM 1209 CB LYS 75 -21.626 38.425 -2.020 1.00 2.24 ATOM 1210 HB1 LYS 75 -20.844 37.678 -1.970 1.00 37.83 ATOM 1211 HB2 LYS 75 -22.421 38.140 -1.344 1.00 11.33 ATOM 1212 CG LYS 75 -21.047 39.755 -1.535 1.00 75.41 ATOM 1213 HG1 LYS 75 -21.845 40.483 -1.468 1.00 37.83 ATOM 1214 HG2 LYS 75 -20.308 40.096 -2.247 1.00 12.34 ATOM 1215 CD LYS 75 -20.387 39.612 -0.164 1.00 53.24 ATOM 1216 HD1 LYS 75 -19.679 38.798 -0.199 1.00 37.83 ATOM 1217 HD2 LYS 75 -21.150 39.392 0.570 1.00 30.51 ATOM 1218 CE LYS 75 -19.656 40.883 0.255 1.00 23.31 ATOM 1219 HE1 LYS 75 -20.372 41.689 0.327 1.00 37.83 ATOM 1220 HE2 LYS 75 -18.916 41.125 -0.495 1.00 41.03 ATOM 1221 NZ LYS 75 -18.972 40.725 1.567 1.00 10.43 ATOM 1222 HZ1 LYS 75 -18.403 41.571 1.776 1.00 21.45 ATOM 1223 HZ2 LYS 75 -18.344 39.893 1.553 1.00 70.11 ATOM 1224 HZ3 LYS 75 -19.676 40.602 2.324 1.00 13.32 ATOM 1225 C LYS 75 -21.194 39.178 -4.385 1.00 1.44 ATOM 1226 O LYS 75 -21.401 40.331 -4.765 1.00 70.20 ATOM 1227 N VAL 76 -20.117 38.484 -4.745 1.00 31.31 ATOM 1228 HN VAL 76 -20.021 37.562 -4.429 1.00 37.83 ATOM 1229 CA VAL 76 -19.069 39.054 -5.603 1.00 51.14 ATOM 1230 HA VAL 76 -18.837 40.044 -5.232 1.00 54.20 ATOM 1231 CB VAL 76 -17.778 38.198 -5.537 1.00 15.34 ATOM 1232 HB VAL 76 -17.999 37.226 -5.956 1.00 14.43 ATOM 1233 CG1 VAL 76 -16.657 38.826 -6.367 1.00 3.11 ATOM 1234 HG11 VAL 76 -16.422 39.806 -5.979 1.00 25.35 ATOM 1235 HG12 VAL 76 -16.976 38.915 -7.395 1.00 2.44 ATOM 1236 HG13 VAL 76 -15.777 38.200 -6.319 1.00 45.53 ATOM 1237 CG2 VAL 76 -17.341 37.997 -4.086 1.00 34.54 ATOM 1238 HG21 VAL 76 -18.141 37.530 -3.529 1.00 52.32 ATOM 1239 HG22 VAL 76 -17.106 38.954 -3.642 1.00 40.44 ATOM 1240 HG23 VAL 76 -16.467 37.362 -4.055 1.00 63.45 ATOM 1241 C VAL 76 -19.529 39.165 -7.068 1.00 15.10 ATOM 1242 O VAL 76 -19.280 40.169 -7.739 1.00 54.30 ATOM 1243 N ALA 77 -20.212 38.131 -7.550 1.00 73.11 ATOM 1244 HN ALA 77 -20.411 37.383 -6.955 1.00 37.83 ATOM 1245 CA ALA 77 -20.677 38.076 -8.940 1.00 41.14 ATOM 1246 HA ALA 77 -19.810 38.186 -9.579 1.00 73.24 ATOM 1247 CB ALA 77 -21.301 36.715 -9.229 1.00 54.03 ATOM 1248 HB1 ALA 77 -20.585 35.936 -9.013 1.00 33.44 ATOM 1249 HB2 ALA 77 -21.587 36.662 -10.269 1.00 72.04 ATOM 1250 HB3 ALA 77 -22.177 36.579 -8.608 1.00 33.34 ATOM 1251 C ALA 77 -21.672 39.202 -9.262 1.00 70.41 ATOM 1252 O ALA 77 -21.806 39.613 -10.413 1.00 44.32 ATOM 1253 N ALA 78 -22.347 39.713 -8.231 1.00 42.14 ATOM 1254 HN ALA 78 -22.166 39.367 -7.332 1.00 37.83 ATOM 1255 CA ALA 78 -23.359 40.769 -8.396 1.00 74.01 ATOM 1256 HA ALA 78 -24.184 40.347 -8.954 1.00 11.22 ATOM 1257 CB ALA 78 -23.893 41.193 -7.031 1.00 71.03 ATOM 1258 HB1 ALA 78 -24.697 41.903 -7.161 1.00 0.04 ATOM 1259 HB2 ALA 78 -23.099 41.648 -6.457 1.00 74.15 ATOM 1260 HB3 ALA 78 -24.264 40.325 -6.504 1.00 65.02 ATOM 1261 C ALA 78 -22.827 41.995 -9.165 1.00 74.21 ATOM 1262 O ALA 78 -23.607 42.780 -9.715 1.00 42.24 ATOM 1263 N GLN 79 -21.504 42.159 -9.204 1.00 65.02 ATOM 1264 HN GLN 79 -20.931 41.511 -8.743 1.00 37.83 ATOM 1265 CA GLN 79 -20.887 43.285 -9.918 1.00 42.12 ATOM 1266 HA GLN 79 -21.675 43.986 -10.158 1.00 43.25 ATOM 1267 CB GLN 79 -19.861 43.997 -9.018 1.00 54.33 ATOM 1268 HB1 GLN 79 -20.374 44.381 -8.148 1.00 37.83 ATOM 1269 HB2 GLN 79 -19.436 44.827 -9.565 1.00 62.14 ATOM 1270 CG GLN 79 -18.716 43.104 -8.542 1.00 24.32 ATOM 1271 HG1 GLN 79 -18.223 42.682 -9.407 1.00 37.83 ATOM 1272 HG2 GLN 79 -19.128 42.304 -7.945 1.00 71.31 ATOM 1273 CD GLN 79 -17.678 43.840 -7.708 1.00 20.35 ATOM 1274 OE1 GLN 79 -16.498 43.501 -7.725 1.00 32.52 ATOM 1275 NE2 GLN 79 -18.103 44.839 -6.963 1.00 60.54 ATOM 1276 HE21 GLN 79 -19.057 45.058 -6.981 1.00 50.35 ATOM 1277 HE22 GLN 79 -17.445 45.322 -6.422 1.00 63.34 ATOM 1278 C GLN 79 -20.213 42.847 -11.235 1.00 52.02 ATOM 1279 O GLN 79 -20.405 43.477 -12.276 1.00 65.43 ATOM 1280 N ASN 80 -19.433 41.766 -11.194 1.00 22.30 ATOM 1281 HN ASN 80 -19.409 41.226 -10.375 1.00 37.83 ATOM 1282 CA ASN 80 -18.614 41.356 -12.346 1.00 55.01 ATOM 1283 HA ASN 80 -18.491 42.224 -12.980 1.00 4.23 ATOM 1284 CB ASN 80 -17.224 40.913 -11.864 1.00 73.31 ATOM 1285 HB1 ASN 80 -16.683 41.784 -11.514 1.00 37.83 ATOM 1286 HB2 ASN 80 -16.687 40.471 -12.687 1.00 44.12 ATOM 1287 CG ASN 80 -17.282 39.894 -10.738 1.00 30.44 ATOM 1288 OD1 ASN 80 -18.210 39.101 -10.645 1.00 14.01 ATOM 1289 ND2 ASN 80 -16.296 39.916 -9.866 1.00 64.23 ATOM 1290 HD21 ASN 80 -15.587 40.581 -9.984 1.00 42.43 ATOM 1291 HD22 ASN 80 -16.320 39.270 -9.134 1.00 5.43 ATOM 1292 C ASN 80 -19.274 40.248 -13.185 1.00 64.05 ATOM 1293 O ASN 80 -18.631 39.653 -14.052 1.00 5.32 ATOM 1294 N TYR 81 -20.558 39.988 -12.938 1.00 22.34 ATOM 1295 HN TYR 81 -21.004 40.451 -12.197 1.00 37.83 ATOM 1296 CA TYR 81 -21.315 38.996 -13.720 1.00 10.21 ATOM 1297 HA TYR 81 -20.791 38.053 -13.649 1.00 34.22 ATOM 1298 CB TYR 81 -22.724 38.825 -13.130 1.00 22.43 ATOM 1299 HB1 TYR 81 -23.281 39.741 -13.279 1.00 37.83 ATOM 1300 HB2 TYR 81 -22.640 38.636 -12.070 1.00 74.01 ATOM 1301 CG TYR 81 -23.524 37.685 -13.740 1.00 70.20 ATOM 1302 CD1 TYR 81 -23.201 36.360 -13.458 1.00 64.43 ATOM 1303 HD1 TYR 81 -22.365 36.148 -12.805 1.00 60.33 ATOM 1304 CD2 TYR 81 -24.606 37.931 -14.585 1.00 51.11 ATOM 1305 HD2 TYR 81 -24.875 38.952 -14.816 1.00 23.44 ATOM 1306 CE1 TYR 81 -23.927 35.318 -14.002 1.00 32.24 ATOM 1307 HE1 TYR 81 -23.660 34.297 -13.772 1.00 64.32 ATOM 1308 CE2 TYR 81 -25.334 36.890 -15.131 1.00 34.32 ATOM 1309 HE2 TYR 81 -26.169 37.100 -15.785 1.00 3.54 ATOM 1310 CZ TYR 81 -24.991 35.590 -14.837 1.00 64.44 ATOM 1311 OH TYR 81 -25.716 34.554 -15.379 1.00 33.40 ATOM 1312 HH TYR 81 -25.818 33.858 -14.720 1.00 70.24 ATOM 1313 C TYR 81 -21.413 39.394 -15.205 1.00 73.41 ATOM 1314 O TYR 81 -21.684 38.557 -16.067 1.00 75.53 ATOM 1315 N ARG 82 -21.189 40.676 -15.498 1.00 2.34 ATOM 1316 HN ARG 82 -20.984 41.298 -14.770 1.00 37.83 ATOM 1317 CA ARG 82 -21.235 41.177 -16.877 1.00 54.24 ATOM 1318 HA ARG 82 -22.099 40.742 -17.360 1.00 53.42 ATOM 1319 CB ARG 82 -21.381 42.708 -16.880 1.00 72.13 ATOM 1320 HB1 ARG 82 -21.481 43.042 -17.903 1.00 37.83 ATOM 1321 HB2 ARG 82 -20.484 43.142 -16.460 1.00 3.24 ATOM 1322 CG ARG 82 -22.582 43.229 -16.088 1.00 1.50 ATOM 1323 HG1 ARG 82 -22.558 44.310 -16.089 1.00 37.83 ATOM 1324 HG2 ARG 82 -22.510 42.871 -15.070 1.00 32.25 ATOM 1325 CD ARG 82 -23.913 42.764 -16.677 1.00 3.10 ATOM 1326 HD1 ARG 82 -24.712 43.114 -16.039 1.00 37.83 ATOM 1327 HD2 ARG 82 -23.925 41.683 -16.698 1.00 53.52 ATOM 1328 NE ARG 82 -24.136 43.263 -18.035 1.00 62.34 ATOM 1329 HE ARG 82 -23.348 43.453 -18.585 1.00 0.44 ATOM 1330 CZ ARG 82 -25.321 43.446 -18.562 1.00 23.01 ATOM 1331 NH1 ARG 82 -26.391 43.266 -17.855 1.00 62.13 ATOM 1332 HH11 ARG 82 -26.318 42.993 -16.900 1.00 51.33 ATOM 1333 HH12 ARG 82 -27.289 43.393 -18.274 1.00 31.15 ATOM 1334 NH2 ARG 82 -25.436 43.851 -19.785 1.00 2.23 ATOM 1335 HH21 ARG 82 -24.621 44.030 -20.333 1.00 33.11 ATOM 1336 HH22 ARG 82 -26.343 43.978 -20.184 1.00 25.03 ATOM 1337 C ARG 82 -19.976 40.761 -17.662 1.00 21.41 ATOM 1338 O ARG 82 -19.151 41.599 -18.036 1.00 43.14 ATOM 1339 N LYS 83 -19.837 39.462 -17.904 1.00 73.51 ATOM 1340 HN LYS 83 -20.542 38.849 -17.607 1.00 37.83 ATOM 1341 CA LYS 83 -18.666 38.916 -18.600 1.00 30.31 ATOM 1342 HA LYS 83 -17.843 39.603 -18.454 1.00 44.30 ATOM 1343 CB LYS 83 -18.291 37.553 -17.995 1.00 32.21 ATOM 1344 HB1 LYS 83 -19.113 36.869 -18.148 1.00 37.83 ATOM 1345 HB2 LYS 83 -18.143 37.680 -16.930 1.00 64.24 ATOM 1346 CG LYS 83 -17.021 36.925 -18.584 1.00 43.41 ATOM 1347 HG1 LYS 83 -16.279 36.836 -17.802 1.00 37.83 ATOM 1348 HG2 LYS 83 -16.637 37.568 -19.365 1.00 41.41 ATOM 1349 CD LYS 83 -17.282 35.538 -19.174 1.00 34.21 ATOM 1350 HD1 LYS 83 -18.011 35.627 -19.968 1.00 37.83 ATOM 1351 HD2 LYS 83 -17.671 34.894 -18.398 1.00 35.51 ATOM 1352 CE LYS 83 -16.010 34.915 -19.737 1.00 33.12 ATOM 1353 HE1 LYS 83 -16.243 33.935 -20.124 1.00 37.83 ATOM 1354 HE2 LYS 83 -15.286 34.824 -18.941 1.00 3.04 ATOM 1355 NZ LYS 83 -15.419 35.735 -20.826 1.00 24.14 ATOM 1356 HZ1 LYS 83 -14.556 35.285 -21.188 1.00 44.20 ATOM 1357 HZ2 LYS 83 -15.175 36.679 -20.469 1.00 43.22 ATOM 1358 HZ3 LYS 83 -16.097 35.837 -21.605 1.00 41.03 ATOM 1359 C LYS 83 -18.929 38.769 -20.109 1.00 0.30 ATOM 1360 O LYS 83 -20.005 38.335 -20.520 1.00 50.11 ATOM 1361 N ARG 84 -17.937 39.131 -20.924 1.00 71.34 ATOM 1362 HN ARG 84 -17.106 39.476 -20.533 1.00 37.83 ATOM 1363 CA ARG 84 -18.051 39.032 -22.388 1.00 71.11 ATOM 1364 HA ARG 84 -19.053 39.332 -22.662 1.00 21.41 ATOM 1365 CB ARG 84 -17.049 39.983 -23.060 1.00 5.53 ATOM 1366 HB1 ARG 84 -17.012 39.760 -24.119 1.00 37.83 ATOM 1367 HB2 ARG 84 -16.070 39.814 -22.635 1.00 1.12 ATOM 1368 CG ARG 84 -17.391 41.463 -22.899 1.00 13.12 ATOM 1369 HG1 ARG 84 -17.601 41.660 -21.856 1.00 37.83 ATOM 1370 HG2 ARG 84 -18.268 41.687 -23.489 1.00 33.34 ATOM 1371 CD ARG 84 -16.244 42.366 -23.353 1.00 51.51 ATOM 1372 HD1 ARG 84 -15.435 42.282 -22.639 1.00 37.83 ATOM 1373 HD2 ARG 84 -16.595 43.388 -23.375 1.00 72.41 ATOM 1374 NE ARG 84 -15.739 42.014 -24.682 1.00 22.44 ATOM 1375 HE ARG 84 -15.979 41.139 -25.041 1.00 5.41 ATOM 1376 CZ ARG 84 -14.960 42.779 -25.395 1.00 64.21 ATOM 1377 NH1 ARG 84 -14.654 43.967 -24.992 1.00 44.24 ATOM 1378 HH11 ARG 84 -15.014 44.310 -24.128 1.00 11.31 ATOM 1379 HH12 ARG 84 -14.059 44.542 -25.549 1.00 63.21 ATOM 1380 NH2 ARG 84 -14.500 42.357 -26.525 1.00 15.05 ATOM 1381 HH21 ARG 84 -14.743 41.446 -26.850 1.00 24.43 ATOM 1382 HH22 ARG 84 -13.898 42.938 -27.064 1.00 41.21 ATOM 1383 C ARG 84 -17.818 37.596 -22.892 1.00 72.03 ATOM 1384 O ARG 84 -17.467 36.702 -22.120 1.00 60.02 ATOM 1385 N LYS 85 -18.012 37.398 -24.198 1.00 24.21 ATOM 1386 HN LYS 85 -18.300 38.156 -24.747 1.00 37.83 ATOM 1387 CA LYS 85 -17.813 36.096 -24.848 1.00 63.12 ATOM 1388 HA LYS 85 -17.979 36.242 -25.907 1.00 73.25 ATOM 1389 CB LYS 85 -16.367 35.609 -24.644 1.00 62.42 ATOM 1390 HB1 LYS 85 -16.203 35.445 -23.588 1.00 37.83 ATOM 1391 HB2 LYS 85 -15.694 36.384 -24.983 1.00 64.45 ATOM 1392 CG LYS 85 -16.022 34.321 -25.388 1.00 43.54 ATOM 1393 HG1 LYS 85 -16.158 34.482 -26.448 1.00 37.83 ATOM 1394 HG2 LYS 85 -16.684 33.533 -25.054 1.00 12.12 ATOM 1395 CD LYS 85 -14.577 33.896 -25.132 1.00 63.20 ATOM 1396 HD1 LYS 85 -14.424 33.799 -24.065 1.00 37.83 ATOM 1397 HD2 LYS 85 -13.915 34.656 -25.522 1.00 34.10 ATOM 1398 CE LYS 85 -14.252 32.569 -25.803 1.00 4.02 ATOM 1399 HE1 LYS 85 -13.222 32.317 -25.595 1.00 37.83 ATOM 1400 HE2 LYS 85 -14.388 32.672 -26.872 1.00 63.31 ATOM 1401 NZ LYS 85 -15.127 31.475 -25.308 1.00 0.41 ATOM 1402 HZ1 LYS 85 -14.904 30.587 -25.797 1.00 43.25 ATOM 1403 HZ2 LYS 85 -16.126 31.709 -25.477 1.00 51.14 ATOM 1404 HZ3 LYS 85 -14.987 31.338 -24.287 1.00 3.13 ATOM 1405 C LYS 85 -18.824 35.048 -24.344 1.00 72.32 ATOM 1406 O LYS 85 -18.488 34.149 -23.568 1.00 52.13 ATOM 1407 N LEU 86 -20.075 35.190 -24.777 1.00 0.02 ATOM 1408 HN LEU 86 -20.292 35.950 -25.356 1.00 37.83 ATOM 1409 CA LEU 86 -21.139 34.243 -24.418 1.00 21.15 ATOM 1410 HA LEU 86 -20.761 33.582 -23.649 1.00 14.04 ATOM 1411 CB LEU 86 -22.383 34.982 -23.883 1.00 25.21 ATOM 1412 HB1 LEU 86 -23.126 34.239 -23.627 1.00 37.83 ATOM 1413 HB2 LEU 86 -22.779 35.591 -24.684 1.00 0.21 ATOM 1414 CG LEU 86 -22.173 35.889 -22.654 1.00 43.24 ATOM 1415 HG LEU 86 -21.554 35.369 -21.937 1.00 50.43 ATOM 1416 CD1 LEU 86 -21.456 37.183 -23.035 1.00 52.32 ATOM 1417 HD11 LEU 86 -22.019 37.699 -23.799 1.00 40.21 ATOM 1418 HD12 LEU 86 -20.470 36.953 -23.409 1.00 23.10 ATOM 1419 HD13 LEU 86 -21.369 37.817 -22.164 1.00 31.53 ATOM 1420 CD2 LEU 86 -23.510 36.196 -21.978 1.00 61.40 ATOM 1421 HD21 LEU 86 -23.338 36.801 -21.101 1.00 52.40 ATOM 1422 HD22 LEU 86 -23.989 35.272 -21.689 1.00 22.13 ATOM 1423 HD23 LEU 86 -24.150 36.733 -22.666 1.00 30.24 ATOM 1424 C LEU 86 -21.545 33.404 -25.638 1.00 0.14 ATOM 1425 O LEU 86 -21.002 33.577 -26.733 1.00 12.12 ATOM 1426 N GLU 87 -22.501 32.498 -25.450 1.00 33.03 ATOM 1427 HN GLU 87 -22.838 32.338 -24.545 1.00 37.83 ATOM 1428 CA GLU 87 -23.061 31.736 -26.567 1.00 51.41 ATOM 1429 HA GLU 87 -22.241 31.441 -27.207 1.00 64.52 ATOM 1430 CB GLU 87 -23.771 30.472 -26.059 1.00 5.52 ATOM 1431 HB1 GLU 87 -23.031 29.809 -25.632 1.00 37.83 ATOM 1432 HB2 GLU 87 -24.238 29.975 -26.898 1.00 32.13 ATOM 1433 CG GLU 87 -24.841 30.735 -25.003 1.00 2.12 ATOM 1434 HG1 GLU 87 -25.524 31.487 -25.377 1.00 37.83 ATOM 1435 HG2 GLU 87 -24.364 31.105 -24.106 1.00 15.32 ATOM 1436 CD GLU 87 -25.633 29.486 -24.656 1.00 71.44 ATOM 1437 OE1 GLU 87 -26.721 29.286 -25.237 1.00 73.41 ATOM 1438 OE2 GLU 87 -25.176 28.699 -23.804 1.00 4.24 ATOM 1439 C GLU 87 -24.030 32.613 -27.382 1.00 33.05 ATOM 1440 O GLU 87 -25.093 33.010 -26.898 1.00 2.42 ATOM 1441 N THR 88 -23.646 32.926 -28.614 1.00 62.12 ATOM 1442 HN THR 88 -22.817 32.535 -28.969 1.00 37.83 ATOM 1443 CA THR 88 -24.429 33.836 -29.462 1.00 12.52 ATOM 1444 HA THR 88 -24.494 34.785 -28.946 1.00 75.14 ATOM 1445 CB THR 88 -23.733 34.082 -30.822 1.00 4.41 ATOM 1446 HB THR 88 -24.345 34.757 -31.405 1.00 4.24 ATOM 1447 OG1 THR 88 -23.590 32.846 -31.541 1.00 35.43 ATOM 1448 HG1 THR 88 -22.820 32.368 -31.208 1.00 21.10 ATOM 1449 CG2 THR 88 -22.360 34.718 -30.627 1.00 33.35 ATOM 1450 HG21 THR 88 -21.745 34.070 -30.020 1.00 54.12 ATOM 1451 HG22 THR 88 -22.470 35.675 -30.135 1.00 72.14 ATOM 1452 HG23 THR 88 -21.889 34.861 -31.588 1.00 61.25 ATOM 1453 C THR 88 -25.853 33.320 -29.719 1.00 4.35 ATOM 1454 O THR 88 -26.054 32.322 -30.412 1.00 1.11 ATOM 1455 N ILE 89 -26.844 34.000 -29.142 1.00 44.45 ATOM 1456 HN ILE 89 -26.623 34.731 -28.532 1.00 37.83 ATOM 1457 CA ILE 89 -28.253 33.670 -29.385 1.00 15.10 ATOM 1458 HA ILE 89 -28.407 32.644 -29.075 1.00 32.12 ATOM 1459 CB ILE 89 -29.195 34.576 -28.547 1.00 2.22 ATOM 1460 HB ILE 89 -30.216 34.334 -28.810 1.00 31.42 ATOM 1461 CG1 ILE 89 -28.938 36.064 -28.853 1.00 60.04 ATOM 1462 HG11 ILE 89 -29.108 36.244 -29.906 1.00 37.83 ATOM 1463 HG12 ILE 89 -27.912 36.302 -28.617 1.00 62.12 ATOM 1464 CG2 ILE 89 -29.019 34.291 -27.055 1.00 62.44 ATOM 1465 HG21 ILE 89 -29.257 33.256 -26.853 1.00 74.13 ATOM 1466 HG22 ILE 89 -29.679 34.928 -26.485 1.00 62.14 ATOM 1467 HG23 ILE 89 -27.996 34.487 -26.768 1.00 61.14 ATOM 1468 CD1 ILE 89 -29.824 37.015 -28.072 1.00 73.12 ATOM 1469 HD11 ILE 89 -29.624 36.911 -27.016 1.00 53.44 ATOM 1470 HD12 ILE 89 -30.862 36.783 -28.266 1.00 22.33 ATOM 1471 HD13 ILE 89 -29.620 38.030 -28.379 1.00 1.12 ATOM 1472 C ILE 89 -28.605 33.788 -30.880 1.00 62.24 ATOM 1473 O ILE 89 -28.253 34.770 -31.538 1.00 13.44 ATOM 1474 N VAL 90 -29.283 32.775 -31.414 1.00 21.31 ATOM 1475 HN VAL 90 -29.595 32.054 -30.829 1.00 37.83 ATOM 1476 CA VAL 90 -29.588 32.714 -32.850 1.00 74.35 ATOM 1477 HA VAL 90 -28.944 33.423 -33.355 1.00 20.24 ATOM 1478 CB VAL 90 -29.276 31.297 -33.404 1.00 52.11 ATOM 1479 HB VAL 90 -28.280 31.028 -33.071 1.00 12.53 ATOM 1480 CG1 VAL 90 -30.244 30.262 -32.840 1.00 25.22 ATOM 1481 HG11 VAL 90 -29.998 29.283 -33.228 1.00 53.21 ATOM 1482 HG12 VAL 90 -31.255 30.517 -33.127 1.00 0.22 ATOM 1483 HG13 VAL 90 -30.171 30.251 -31.763 1.00 40.22 ATOM 1484 CG2 VAL 90 -29.274 31.284 -34.930 1.00 72.31 ATOM 1485 HG21 VAL 90 -30.245 31.589 -35.294 1.00 33.03 ATOM 1486 HG22 VAL 90 -29.055 30.287 -35.284 1.00 33.32 ATOM 1487 HG23 VAL 90 -28.523 31.968 -35.295 1.00 35.31 ATOM 1488 C VAL 90 -31.057 33.102 -33.132 1.00 41.30 ATOM 1489 O VAL 90 -31.926 32.900 -32.284 1.00 15.30 ATOM 1490 N GLN 91 -31.315 33.654 -34.328 1.00 72.43 ATOM 1491 HN GLN 91 -30.591 33.699 -34.989 1.00 37.83 ATOM 1492 HA GLN 91 -32.574 34.529 -35.723 1.00 40.03 ATOM 1493 CB GLN 91 -33.764 33.150 -34.582 1.00 23.14 ATOM 1494 HB1 GLN 91 -34.711 33.663 -34.478 1.00 37.83 ATOM 1495 HB2 GLN 91 -33.596 32.561 -33.692 1.00 22.45 ATOM 1496 CG GLN 91 -33.875 32.195 -35.771 1.00 5.00 ATOM 1497 HG1 GLN 91 -34.102 32.772 -36.658 1.00 37.83 ATOM 1498 HG2 GLN 91 -34.683 31.504 -35.583 1.00 4.34 ATOM 1499 CD GLN 91 -32.613 31.397 -36.024 1.00 3.23 ATOM 1500 OE1 GLN 91 -31.754 31.798 -36.806 1.00 32.22 ATOM 1501 NE2 GLN 91 -32.482 30.266 -35.362 1.00 42.43 ATOM 1502 HE21 GLN 91 -33.202 30.002 -34.746 1.00 33.15 ATOM 1503 HE22 GLN 91 -31.675 29.739 -35.509 1.00 2.11 ATOM 1504 CA GLN 91 -32.642 34.208 -34.692 1.00 3.00 ATOM 1505 C GLN 91 -32.990 35.443 -33.834 1.00 14.44 ATOM 1506 OT1 GLN 91 -33.710 35.298 -32.818 1.00 37.83 ATOM 1507 OT2 GLN 91 -32.536 36.558 -34.181 1.00 37.83 ATOM 1508 OH2 TIP3 1 -27.853 13.087 6.780 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.304 13.313 7.544 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -28.539 13.794 6.766 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -32.186 17.262 8.070 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.045 16.940 7.785 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.313 18.230 8.175 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -28.126 9.645 3.426 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.342 9.102 3.273 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.522 9.750 2.539 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -28.307 13.990 -0.521 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -27.524 14.573 -0.583 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -28.892 14.303 -1.242 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -27.147 16.742 1.475 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -26.794 16.114 2.141 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.038 16.974 1.817 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -29.192 13.476 4.156 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -28.898 13.056 3.316 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -28.638 13.064 4.837 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.863 9.958 0.720 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.022 9.969 0.195 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -29.470 9.442 0.179 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.375 12.470 1.741 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.680 11.610 1.381 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.421 13.082 0.970 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -29.383 15.301 6.814 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -29.423 15.902 7.585 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.175 15.527 6.292 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -26.516 14.681 9.564 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -25.848 14.065 9.901 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -26.069 15.550 9.587 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -33.939 28.687 -37.889 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -34.811 29.128 -37.833 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -33.605 28.936 -38.769 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -33.963 27.859 -35.334 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -33.875 28.158 -36.269 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -33.224 27.232 -35.215 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -36.452 29.820 -32.723 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -36.444 28.865 -32.941 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -35.499 30.084 -32.771 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -36.280 30.083 -38.055 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -36.370 31.045 -37.881 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -36.328 30.013 -39.033 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -40.162 30.597 -32.152 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -39.609 30.412 -32.938 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -40.819 31.244 -32.471 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -40.496 33.238 -30.583 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -39.613 33.664 -30.646 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -40.311 32.368 -30.198 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -33.618 30.077 -40.229 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -34.455 29.809 -40.658 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -33.769 31.019 -39.985 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -25.546 26.439 -36.616 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -26.024 25.706 -36.215 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -26.220 27.138 -36.714 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -39.005 29.928 -40.068 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -39.871 29.681 -39.736 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -38.983 30.905 -39.981 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -33.082 26.160 -29.946 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.782 26.609 -29.121 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.253 26.003 -30.441 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -37.631 28.602 -36.221 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -38.086 28.037 -36.853 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -37.027 29.145 -36.779 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -39.831 28.087 -28.659 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -40.788 28.150 -28.694 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -39.519 28.921 -29.067 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -34.307 32.588 -39.533 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -35.062 32.632 -38.906 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -33.942 33.498 -39.528 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -39.016 30.513 -29.699 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -38.141 30.910 -29.893 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -39.437 30.417 -30.587 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.185 31.793 -28.322 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -35.048 30.850 -28.074 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -35.768 31.749 -29.106 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -36.089 35.278 -40.195 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -35.132 35.378 -40.031 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -36.500 35.497 -39.337 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -31.233 33.677 -38.602 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -30.429 33.234 -38.929 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -31.554 33.086 -37.886 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.146 25.947 -32.740 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.157 25.835 -31.771 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.062 26.208 -32.963 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -27.800 28.198 -36.598 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -28.261 28.310 -37.465 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -28.518 27.898 -35.987 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -33.829 30.403 -32.697 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -33.369 31.182 -32.339 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -33.264 29.642 -32.426 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -27.631 30.833 -27.279 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -27.279 30.292 -26.535 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -27.044 31.602 -27.309 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -29.220 28.558 -38.857 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -29.221 28.110 -39.707 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -29.938 29.223 -38.934 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -29.659 27.352 -34.767 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -30.534 26.918 -34.704 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -29.343 27.389 -33.842 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -36.636 32.792 -38.088 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -36.606 33.704 -37.716 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -37.483 32.763 -38.573 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -38.651 32.668 -40.044 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -37.888 32.708 -40.666 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -39.057 33.541 -40.112 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -36.306 32.871 -41.454 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -36.338 33.847 -41.342 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -35.462 32.617 -41.037 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -36.366 30.120 -40.815 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -36.455 30.961 -41.303 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -37.287 29.790 -40.738 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -28.781 32.140 -38.428 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -29.411 31.438 -38.681 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -27.979 31.647 -38.138 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -32.114 25.925 -34.592 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -31.845 25.011 -34.724 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -32.830 25.870 -33.915 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -38.209 30.622 -26.845 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -38.613 30.411 -27.702 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -37.933 29.753 -26.488 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -37.813 26.524 -27.637 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -38.574 26.941 -28.096 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -37.088 26.548 -28.301 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -35.612 27.005 -29.186 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -35.348 27.819 -28.717 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -34.767 26.632 -29.506 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -36.271 27.398 -34.045 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.919 27.699 -34.709 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -35.398 27.548 -34.480 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.477 28.109 -32.210 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -31.793 27.597 -31.742 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.119 27.436 -32.500 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -29.900 29.311 -27.045 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -29.130 29.908 -27.160 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -29.812 28.985 -26.125 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -24.412 29.406 -35.202 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -23.809 28.750 -35.602 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -24.121 30.251 -35.568 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -30.580 26.262 -31.075 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -29.850 26.551 -31.659 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -30.130 26.042 -30.230 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -28.773 26.141 -29.006 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -28.233 25.807 -28.273 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -28.339 26.971 -29.264 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -32.640 37.649 -38.354 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.910 37.751 -38.980 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -32.228 37.832 -37.477 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -36.647 31.640 -30.692 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -36.671 30.910 -31.354 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -35.867 32.189 -30.974 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -41.770 32.759 -32.908 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -41.386 33.057 -32.049 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -42.647 33.151 -32.923 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -39.556 33.040 -34.565 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -39.192 32.130 -34.577 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -40.398 32.954 -34.074 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -38.556 30.456 -34.373 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -38.368 29.812 -35.086 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -37.777 30.385 -33.779 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -31.097 30.513 -39.046 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -31.484 30.844 -38.209 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -31.878 30.308 -39.606 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -30.648 34.413 -18.649 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -30.836 35.076 -19.345 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -30.937 34.838 -17.833 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -28.395 35.200 -23.661 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -28.745 35.387 -24.537 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -28.529 34.237 -23.547 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -27.946 34.104 -18.169 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -28.000 34.507 -17.276 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -28.880 34.030 -18.452 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -29.304 32.583 -23.395 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -29.910 32.603 -24.164 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -29.881 32.816 -22.629 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.500 30.357 -23.834 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -30.703 29.802 -24.003 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -31.309 30.794 -22.992 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -31.156 25.467 -19.969 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -31.869 24.972 -19.552 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -30.880 24.913 -20.708 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -28.606 27.465 -9.498 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -28.328 27.017 -10.328 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -29.097 28.241 -9.802 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -31.414 32.679 -25.320 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -31.715 31.863 -24.867 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -32.208 33.231 -25.370 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -35.076 36.427 -24.872 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -35.792 35.892 -25.265 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -34.636 36.842 -25.648 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -26.938 23.339 -8.143 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -26.434 23.981 -8.685 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -27.789 23.795 -7.972 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -31.987 27.515 -27.783 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -31.135 27.983 -27.758 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -32.461 27.840 -26.995 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -27.223 33.158 -9.206 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -27.700 33.855 -8.704 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -26.411 33.605 -9.532 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -34.547 29.217 -23.238 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -35.027 30.069 -23.340 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -33.741 29.457 -22.774 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -27.149 29.088 -12.879 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -27.756 29.811 -13.154 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -27.345 28.361 -13.509 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -33.141 28.839 -25.552 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -33.835 28.720 -24.869 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -32.470 29.390 -25.108 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -29.290 34.255 -13.105 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -30.006 34.774 -12.677 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -29.060 33.583 -12.436 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -29.558 27.661 -19.667 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -30.254 26.970 -19.760 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -29.152 27.472 -18.811 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.044 28.307 -25.807 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -37.394 27.554 -26.349 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -36.851 27.911 -24.948 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.458 31.781 -23.549 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.825 32.052 -24.419 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -35.786 32.447 -22.938 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -28.529 30.228 -19.871 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -28.964 29.353 -19.887 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -28.201 30.352 -20.786 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -36.516 32.550 -26.011 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -37.254 31.920 -26.192 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -35.913 32.432 -26.778 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -32.960 33.326 -29.077 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -32.255 32.717 -28.768 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.786 32.932 -28.723 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -35.054 29.181 -27.490 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -34.280 29.041 -26.904 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -35.821 28.909 -26.941 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -31.151 31.612 -27.938 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -31.088 32.031 -27.060 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -30.928 30.675 -27.773 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -37.906 34.136 -30.765 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -37.383 34.655 -31.426 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -37.454 33.268 -30.736 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -27.080 31.619 -6.281 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -26.812 32.534 -6.052 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -26.556 31.408 -7.073 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -28.393 27.443 -22.146 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -28.933 27.448 -21.328 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -27.485 27.650 -21.829 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -25.912 28.171 -21.292 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -25.591 28.372 -22.208 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -25.761 29.005 -20.800 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -26.612 28.946 -16.785 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -26.914 29.617 -17.426 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -25.885 29.395 -16.301 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -28.990 32.294 -11.098 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -29.791 32.201 -10.529 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.297 32.604 -10.476 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -26.717 21.000 -23.271 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -26.207 20.986 -22.460 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -26.889 20.076 -23.462 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -26.088 27.942 -8.504 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -25.958 28.911 -8.477 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -27.019 27.836 -8.786 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -27.611 26.130 -11.815 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -27.466 26.353 -12.752 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.284 25.408 -11.840 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -27.386 30.848 -22.286 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -28.005 31.506 -22.671 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -27.172 30.263 -23.028 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -31.032 35.390 -11.302 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -31.474 35.113 -10.486 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -30.721 36.296 -11.113 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -30.977 33.270 -21.337 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -30.862 33.073 -20.392 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -31.177 34.226 -21.356 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -28.312 35.164 -15.645 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -27.343 35.062 -15.537 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -28.683 34.861 -14.789 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -37.324 35.244 -26.012 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.602 35.386 -26.940 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -37.123 34.286 -25.965 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -26.072 30.718 -8.873 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -25.641 30.630 -9.743 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -26.620 31.530 -8.963 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -36.748 29.905 3.010 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -37.672 30.027 3.240 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -36.770 29.291 2.239 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -27.444 26.681 -1.965 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -26.637 26.398 -1.464 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -27.463 26.093 -2.727 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -33.263 31.358 2.054 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -34.087 30.886 2.235 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -33.046 31.795 2.911 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -30.723 20.372 5.846 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -30.011 19.696 5.899 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -30.722 20.648 4.898 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -31.068 26.421 0.148 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -30.291 27.007 0.263 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -30.676 25.536 -0.016 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.613 18.649 6.289 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -27.809 19.155 6.454 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -28.306 17.877 5.762 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -33.015 26.425 -1.729 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.390 26.459 -0.964 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.818 27.228 -2.228 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -29.071 30.582 0.514 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -28.922 29.611 0.455 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -29.992 30.702 0.199 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -28.655 27.832 0.251 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -27.940 27.627 0.896 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -28.327 27.452 -0.596 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -30.898 25.112 -3.329 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -30.484 24.241 -3.143 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -31.627 25.171 -2.686 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -31.194 23.861 2.269 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.015 24.321 2.056 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -30.701 23.847 1.413 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -30.870 29.763 5.302 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -31.455 28.991 5.225 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -31.349 30.365 5.920 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -31.437 31.753 0.070 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -32.206 31.595 0.671 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -31.504 32.711 -0.156 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -31.277 34.284 7.397 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -30.474 34.851 7.380 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -31.853 34.674 6.720 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -31.411 34.418 -0.470 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -31.321 34.840 0.416 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -31.380 35.166 -1.095 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.116 34.867 -8.495 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -31.742 35.777 -8.556 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -31.885 34.577 -7.586 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -30.987 34.208 -6.075 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -30.678 33.277 -6.135 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -31.512 34.233 -5.248 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.401 22.858 6.964 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -30.388 22.651 7.919 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -30.489 21.979 6.533 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -30.528 21.408 3.359 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -30.795 22.247 2.932 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -30.265 20.842 2.624 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.749 27.394 -4.575 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -31.366 26.582 -4.175 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -32.626 27.122 -4.867 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -33.735 22.262 7.682 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -33.890 22.767 6.880 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -33.331 22.906 8.298 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -35.444 26.332 -0.353 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -35.764 25.441 -0.510 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -34.604 26.378 -0.857 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -34.789 29.959 4.907 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -35.113 30.576 5.591 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -35.495 29.963 4.223 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -31.672 31.687 -2.971 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -32.015 31.618 -2.068 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -32.118 32.480 -3.337 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -27.161 23.559 -3.741 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -26.902 22.621 -3.892 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -26.479 23.895 -3.102 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -31.923 27.052 3.956 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -31.397 26.257 4.166 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -31.822 27.161 3.002 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.173 28.188 6.056 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -32.906 27.667 5.267 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -33.775 28.885 5.687 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -29.839 31.813 -6.501 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -30.124 30.950 -6.135 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -28.858 31.765 -6.485 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -30.025 29.294 -5.480 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -30.720 28.773 -5.010 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -29.805 28.751 -6.246 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -32.197 20.028 8.097 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.713 20.087 7.243 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -32.906 20.706 8.016 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -30.042 23.914 -0.187 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -30.038 23.407 -1.025 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -29.080 24.022 0.029 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -30.803 29.813 9.095 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -30.643 30.641 9.603 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -31.628 29.456 9.482 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.848 32.351 -9.126 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -30.535 32.149 -8.226 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -31.393 33.151 -9.016 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -35.214 28.274 7.951 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -34.511 28.003 7.331 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -35.399 29.202 7.708 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -36.233 23.493 10.217 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -36.275 22.884 9.473 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -35.490 23.151 10.764 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -28.815 25.256 -7.667 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -28.820 26.068 -8.210 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -28.834 25.579 -6.746 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -36.987 28.263 0.842 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -36.323 27.593 0.566 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -37.612 28.286 0.114 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -32.408 23.732 9.596 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -33.014 23.347 10.265 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -31.623 23.144 9.622 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -27.441 24.324 0.201 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -27.040 25.056 0.688 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -26.828 24.174 -0.546 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -24.483 21.120 -6.416 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -25.236 20.503 -6.496 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -23.936 20.737 -5.703 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -28.384 25.720 -4.893 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -27.981 24.873 -4.594 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -29.196 25.796 -4.358 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -26.675 20.846 -3.941 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -25.890 20.433 -3.528 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -26.773 20.366 -4.793 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -29.566 22.760 -2.650 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -29.488 21.796 -2.494 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -28.700 23.008 -3.042 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -26.629 18.496 -0.932 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -26.832 18.225 -0.016 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -27.399 19.039 -1.197 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -30.797 24.676 4.973 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -30.780 24.256 4.088 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -30.745 23.917 5.601 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -24.775 16.789 10.046 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -24.597 17.477 10.716 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -24.499 17.200 9.201 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -29.531 17.384 8.648 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -29.277 17.973 7.910 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -30.512 17.321 8.579 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -26.920 18.763 -8.865 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -26.639 19.651 -9.205 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -27.728 18.571 -9.353 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -35.322 31.050 7.478 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -34.569 31.336 8.032 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -36.110 31.248 8.027 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -34.070 36.984 5.856 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -35.019 37.072 5.990 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -33.693 37.019 6.767 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -31.058 15.399 4.462 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.362 14.708 4.330 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.883 14.944 4.268 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -32.689 32.607 4.400 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -32.600 32.216 5.290 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -32.563 33.564 4.542 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -29.141 15.714 -5.591 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -29.763 15.622 -6.319 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -28.256 15.637 -6.021 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.049 26.643 15.597 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -34.661 26.477 14.850 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -33.839 25.744 15.942 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -32.972 24.184 16.252 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -32.141 24.192 15.737 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -32.674 24.088 17.184 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.832 38.748 17.322 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -30.981 38.473 17.709 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.761 39.721 17.266 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -36.905 17.270 15.246 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -36.846 16.506 14.672 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -36.049 17.710 15.151 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -33.773 29.411 15.486 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.692 29.817 16.381 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.087 28.500 15.665 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -33.258 30.419 17.980 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -33.574 30.199 18.885 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -32.913 31.321 18.060 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -30.645 29.322 17.966 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -31.610 29.334 18.082 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -30.443 30.208 17.586 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.272 26.552 13.115 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -36.062 26.121 12.727 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -35.184 27.377 12.607 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -34.012 22.756 11.613 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -34.071 22.139 12.382 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -33.645 23.579 12.001 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.852 29.550 20.499 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -33.480 29.742 21.366 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -34.284 28.695 20.609 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -33.037 25.227 12.269 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -33.792 25.628 12.752 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -32.944 25.783 11.474 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -33.569 31.778 13.745 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -33.910 31.081 14.328 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -32.609 31.729 13.853 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -28.144 16.561 10.913 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -27.782 15.730 10.553 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -28.674 16.926 10.174 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -31.967 34.106 12.697 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -32.060 34.362 11.750 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -32.849 33.780 12.944 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -30.559 31.897 10.736 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -29.888 32.620 10.747 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -30.753 31.744 11.682 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -30.712 31.806 13.479 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -31.044 32.725 13.346 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -29.857 31.929 13.959 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -31.973 26.451 9.957 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -32.261 25.605 9.551 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -31.157 26.214 10.440 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -34.124 21.587 14.058 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -34.509 20.785 14.476 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -33.961 22.184 14.798 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -34.335 19.787 18.074 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -34.253 19.293 18.896 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -33.807 20.581 18.220 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -37.229 25.761 11.307 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -36.852 24.949 10.886 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -38.182 25.631 11.258 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -28.629 26.340 19.289 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -28.653 26.434 18.323 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -28.434 27.243 19.608 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -30.570 24.397 14.838 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -29.806 24.520 15.439 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -30.253 23.738 14.183 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.603 27.927 10.616 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.257 27.211 10.755 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -35.515 27.984 9.633 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -31.752 24.073 18.732 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -30.990 24.664 18.752 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -31.788 23.702 19.640 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.152 31.329 9.486 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.596 32.006 10.003 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.973 30.623 10.118 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -28.706 24.251 21.047 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -27.788 24.210 21.328 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -28.726 24.995 20.399 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -30.472 31.924 17.136 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -31.033 32.714 16.953 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -29.585 32.287 17.249 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -33.251 31.487 9.375 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -33.329 30.610 9.807 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -32.613 31.967 9.928 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -31.892 31.664 6.928 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -31.607 32.572 7.170 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -32.341 31.336 7.733 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.047 28.913 10.360 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -33.977 28.688 10.576 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -32.627 28.039 10.191 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -28.112 33.995 19.268 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -27.451 34.166 18.565 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -27.791 33.199 19.707 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -28.361 29.125 19.510 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -27.883 29.819 19.027 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -29.261 29.148 19.128 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -30.296 25.148 11.790 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -29.764 24.375 12.085 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -31.214 24.909 12.031 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -29.175 27.296 16.646 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -29.859 27.768 17.161 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -28.748 28.008 16.118 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -30.540 21.688 9.538 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -29.994 21.288 10.245 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -31.081 20.938 9.200 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -35.290 19.573 15.523 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -34.935 19.564 16.442 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -36.249 19.563 15.640 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -31.261 23.381 21.341 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.308 23.608 21.221 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -31.393 23.422 22.288 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -29.025 20.388 11.688 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -28.350 20.235 12.382 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -29.271 19.498 11.402 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -29.232 22.904 12.947 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -28.460 22.755 13.534 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -29.299 22.075 12.429 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -28.263 29.667 15.661 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -28.491 30.484 15.181 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -27.927 29.986 16.520 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -27.212 19.915 13.830 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -26.351 19.697 14.249 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -27.448 20.784 14.217 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -31.964 34.855 10.061 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -31.336 35.609 10.012 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -31.824 34.379 9.220 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -28.299 32.241 14.611 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -27.345 32.088 14.769 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -28.421 33.199 14.800 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.355 38.251 -31.354 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -29.297 37.346 -31.015 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.258 38.304 -31.734 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -35.625 39.406 -33.159 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -35.050 39.168 -33.926 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -36.277 38.691 -33.124 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -31.469 38.268 -35.974 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -30.634 38.643 -35.617 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -31.709 37.556 -35.330 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -39.482 38.997 -31.511 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -38.671 39.525 -31.301 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -39.799 38.698 -30.636 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -29.227 34.240 -36.488 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -29.490 35.043 -36.976 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -29.178 33.548 -37.175 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -37.958 35.231 -34.988 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -38.489 34.409 -34.866 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -38.480 35.922 -34.522 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -26.977 41.809 -33.346 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -27.804 42.088 -33.787 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -27.075 40.833 -33.254 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -31.524 40.539 -33.165 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -31.763 39.614 -32.977 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -31.706 41.007 -32.322 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -39.305 36.842 -33.228 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -39.402 36.166 -32.550 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -39.414 37.685 -32.742 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -36.280 42.012 -28.924 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -36.846 41.383 -28.423 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -35.622 42.321 -28.263 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -35.251 37.704 -37.464 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -34.405 37.747 -37.951 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -35.044 38.096 -36.594 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -34.135 39.529 -30.847 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -34.772 39.638 -31.589 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -33.473 38.896 -31.196 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -36.454 35.427 -32.656 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -36.789 35.332 -33.569 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -35.472 35.423 -32.756 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.605 41.990 -33.109 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -37.518 41.841 -33.439 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -36.132 41.161 -33.334 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -37.347 40.497 -30.934 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -37.056 41.002 -30.150 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -37.114 41.075 -31.686 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -32.050 37.983 -31.954 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -32.095 37.299 -31.243 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -32.259 37.473 -32.782 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -33.412 35.172 -39.334 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -33.258 36.072 -38.976 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -32.577 34.694 -39.147 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -39.141 40.923 -33.584 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -39.357 40.240 -32.920 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.891 40.914 -34.185 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -36.250 37.990 -29.231 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -36.747 38.738 -28.835 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -35.775 38.390 -29.976 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -34.089 42.669 -27.473 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.471 42.605 -26.724 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -33.602 43.203 -28.142 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -35.078 43.291 -31.136 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -35.586 42.907 -30.395 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -35.571 43.012 -31.934 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -37.812 39.947 -28.013 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -38.009 40.057 -27.051 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -38.582 39.451 -28.357 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -32.237 35.671 -30.507 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -32.749 35.424 -31.312 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -32.430 34.951 -29.873 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -34.534 33.144 -31.301 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -34.318 33.851 -31.949 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -33.803 33.188 -30.652 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -28.170 45.053 -31.426 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -27.365 45.080 -31.949 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -28.067 44.260 -30.866 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -29.626 40.533 -29.695 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -30.521 40.796 -30.013 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -29.390 39.769 -30.260 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -29.120 39.312 -35.132 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -28.454 39.106 -34.443 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -29.275 40.273 -35.032 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -29.598 41.940 -34.503 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -30.065 42.640 -34.972 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -30.304 41.486 -33.982 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -28.455 38.195 -37.537 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -28.768 38.587 -36.696 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -29.189 37.618 -37.822 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -34.058 38.564 -35.126 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -33.704 37.739 -34.712 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -33.279 38.963 -35.551 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -26.448 34.250 -33.367 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -26.166 33.330 -33.169 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -27.144 34.439 -32.700 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -36.739 35.452 -37.431 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -36.244 36.304 -37.424 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -37.191 35.433 -36.555 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -27.817 34.836 -39.143 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -27.723 33.874 -39.097 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -26.907 35.175 -39.009 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -38.011 35.945 -28.664 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -37.267 36.545 -28.898 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -37.994 35.258 -29.368 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -31.276 45.957 -21.116 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -30.816 46.009 -20.274 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -31.611 45.028 -21.148 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.029 41.508 -15.969 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -32.989 41.600 -15.946 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -31.872 40.768 -16.597 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -27.448 46.147 -19.370 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -28.068 45.436 -19.113 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -27.362 46.044 -20.345 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -31.125 46.555 -23.728 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -31.638 47.363 -23.823 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -31.193 46.337 -22.763 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -32.809 45.339 -16.018 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -33.476 46.005 -15.832 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -32.332 45.230 -15.167 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -30.979 43.724 -17.249 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -31.716 44.343 -17.047 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -31.257 42.882 -16.831 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -31.501 44.314 -25.305 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -31.483 45.119 -24.750 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -31.666 43.591 -24.671 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -33.028 39.226 -8.644 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -32.337 38.531 -8.633 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -33.836 38.755 -8.397 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -29.687 40.286 -9.592 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -28.746 40.550 -9.504 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -30.068 40.465 -8.705 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -31.978 40.501 -11.145 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -32.568 40.126 -10.470 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -31.114 40.565 -10.697 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -32.841 43.816 -29.602 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -33.583 43.982 -30.231 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -32.211 44.540 -29.773 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -34.342 37.622 -27.195 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -33.889 38.455 -27.430 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -35.016 37.517 -27.889 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -39.727 38.108 -28.851 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -39.145 37.317 -28.780 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -40.433 37.937 -28.219 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -31.683 39.492 -17.811 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -32.321 38.880 -18.193 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -30.997 38.904 -17.413 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -29.049 45.112 -15.972 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -29.638 44.531 -16.510 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -29.080 45.963 -16.427 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -32.208 41.076 -26.044 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -31.273 41.056 -26.337 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -32.659 40.457 -26.651 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -38.399 40.177 -25.387 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -38.308 40.747 -24.621 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -38.130 39.285 -25.058 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.561 40.490 -23.957 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.081 41.350 -23.886 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.614 40.327 -24.917 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -27.931 46.932 -12.222 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -27.876 47.843 -12.525 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.893 46.789 -12.063 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -28.577 45.558 -24.201 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -29.406 46.021 -23.952 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -28.646 45.458 -25.173 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -31.912 43.337 -21.147 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -31.475 42.650 -20.602 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -32.041 42.904 -22.017 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -29.333 44.957 -26.808 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -30.173 44.697 -26.360 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -29.616 45.217 -27.709 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -33.548 40.028 -28.195 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -33.821 39.832 -29.115 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -33.912 40.920 -28.022 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -29.782 37.867 -10.891 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -29.135 37.860 -11.603 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -29.787 38.801 -10.579 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -30.641 41.250 -19.848 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -30.048 40.658 -20.346 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -30.943 40.708 -19.096 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -30.165 45.038 -29.520 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -29.696 45.488 -30.248 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -29.759 44.155 -29.491 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -26.955 45.338 -21.892 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -26.038 45.161 -22.179 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -27.454 45.444 -22.730 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -26.539 44.336 -15.241 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -26.050 45.146 -15.507 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -27.477 44.544 -15.452 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -29.621 40.790 -26.905 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -29.659 40.574 -27.861 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -28.938 41.494 -26.848 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.049 41.408 -30.650 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -32.299 42.277 -30.263 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -32.877 40.887 -30.617 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -28.908 43.820 -19.086 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -28.884 43.149 -19.799 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -29.759 43.647 -18.624 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -31.063 44.894 -13.953 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -30.275 44.834 -14.527 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -31.196 43.966 -13.626 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -27.119 41.047 -8.867 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -27.376 41.526 -8.051 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -26.735 41.742 -9.441 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -28.958 39.629 -21.405 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.881 38.649 -21.479 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -29.209 39.915 -22.315 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -29.897 37.583 -16.948 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -29.207 37.927 -17.564 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -29.422 36.943 -16.394 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -31.448 42.292 -13.297 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -31.682 41.630 -12.610 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -31.557 41.813 -14.139 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -31.869 42.078 -23.572 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -31.069 41.539 -23.439 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -32.269 41.706 -24.391 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -31.095 37.331 -8.607 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -30.576 37.540 -9.416 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -30.450 37.441 -7.874 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -28.621 36.924 -21.574 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -27.914 36.647 -20.943 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -28.475 36.349 -22.362 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -28.175 38.507 -18.825 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.216 39.077 -19.607 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -27.601 37.761 -19.101 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -31.107 36.037 -20.857 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -31.689 36.690 -21.262 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -30.199 36.376 -21.042 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -37.522 37.740 -24.596 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -36.578 37.585 -24.411 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -37.810 36.921 -25.035 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -27.256 38.865 3.205 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -28.136 39.043 3.584 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -26.995 39.722 2.807 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -33.754 36.009 -5.445 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.970 36.588 -5.338 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -34.139 36.286 -6.298 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -27.195 37.234 5.481 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -27.070 37.686 4.624 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -26.468 37.570 6.034 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.778 41.117 -1.608 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -33.435 40.550 -1.132 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -33.129 41.183 -2.503 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -30.299 42.694 3.897 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -31.196 42.993 3.707 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -29.820 42.827 3.049 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -27.242 38.958 8.549 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -26.416 38.709 8.078 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.383 38.237 9.178 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -32.256 35.341 4.659 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -33.112 35.768 4.890 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -31.597 36.047 4.808 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -29.464 36.243 6.734 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -30.015 36.871 6.223 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -28.544 36.458 6.459 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -34.619 39.399 -0.639 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -35.438 39.389 -0.137 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -34.432 38.446 -0.811 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -27.045 38.724 -7.134 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -27.041 39.231 -6.294 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -26.905 39.402 -7.822 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -31.055 35.481 2.028 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -31.557 35.170 2.804 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -30.811 36.386 2.251 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -32.626 34.154 -3.802 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -32.381 34.786 -3.104 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -33.235 34.667 -4.386 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.683 40.789 -7.033 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.515 40.393 -6.149 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -31.618 40.592 -7.207 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -31.048 37.818 5.127 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -30.482 38.584 4.871 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -31.925 38.208 5.268 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -32.918 36.959 8.327 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -31.991 37.194 8.530 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -33.154 36.325 9.021 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -26.012 41.469 -2.905 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -25.444 42.251 -2.919 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -25.598 40.883 -2.224 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -31.780 43.109 0.095 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -32.071 42.349 -0.452 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -32.178 43.872 -0.332 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -25.321 43.813 -0.294 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -24.972 43.120 0.299 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -24.780 44.604 -0.084 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -27.511 40.287 -4.895 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -26.928 40.609 -4.169 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -27.679 41.089 -5.439 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -29.266 37.248 -6.645 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -28.952 36.371 -6.951 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -28.480 37.831 -6.742 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -27.646 42.500 -0.809 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -26.902 43.114 -0.600 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -27.380 42.090 -1.653 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -27.508 40.554 6.373 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -27.687 39.894 7.080 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -26.678 40.997 6.671 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -34.353 36.526 -8.117 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -35.106 36.292 -8.671 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.677 35.853 -8.337 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -31.418 37.369 -4.988 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -30.685 37.086 -5.577 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -31.205 38.303 -4.786 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -29.136 40.174 0.001 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -29.009 40.185 0.957 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -28.610 40.933 -0.319 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -29.521 40.064 4.553 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -29.844 40.961 4.321 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -28.835 40.227 5.239 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -28.598 34.754 -7.406 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -29.455 34.473 -7.021 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -27.931 34.456 -6.749 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -34.145 36.754 -1.052 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -34.480 35.859 -0.938 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -33.320 36.640 -1.563 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -31.742 36.541 -2.396 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -31.631 36.657 -3.366 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -31.407 37.387 -2.020 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -30.844 39.128 -1.819 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.515 39.828 -1.687 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -30.142 39.346 -1.159 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -30.281 36.867 9.331 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -29.723 36.710 8.543 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -29.657 37.229 10.000 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -28.668 33.802 11.230 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -29.121 34.596 11.566 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -27.834 33.776 11.739 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -26.030 38.164 12.362 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -25.611 37.735 11.587 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -25.486 38.970 12.513 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -28.595 43.901 6.541 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -29.220 43.293 6.112 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -28.944 44.778 6.345 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -28.101 41.028 10.296 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -27.777 41.794 9.791 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -27.909 40.264 9.721 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -28.500 37.540 11.339 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -28.894 36.888 11.964 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -27.619 37.740 11.725 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -28.891 39.977 15.548 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -29.216 40.057 14.624 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -27.981 39.631 15.445 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -29.664 35.695 12.988 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -29.231 35.507 13.847 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -30.541 35.263 13.063 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.840 34.283 16.775 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -31.146 34.802 17.239 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -32.430 34.970 16.394 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -28.616 34.834 15.492 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -27.765 34.809 15.976 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -29.258 35.160 16.160 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.910 36.667 15.912 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -32.930 37.092 15.053 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -32.613 37.379 16.524 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -28.997 39.956 12.746 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -29.056 39.092 12.304 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -28.697 40.561 12.040 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -7.835 10.640 -11.660 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -7.455 9.738 -11.589 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -7.144 11.218 -11.295 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -11.994 17.192 -11.484 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -11.928 18.060 -11.037 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -11.244 17.194 -12.110 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -6.532 8.277 -11.166 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -5.607 8.165 -11.470 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -6.908 7.368 -11.195 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -23.423 12.160 -4.875 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -23.517 11.366 -5.436 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -22.636 11.971 -4.322 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -10.255 11.261 -10.654 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -10.816 11.427 -11.417 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -9.373 11.049 -11.045 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -10.103 12.841 -8.441 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -10.166 12.235 -9.208 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -11.012 13.188 -8.335 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -19.126 17.681 -8.982 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -20.099 17.504 -8.918 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -18.723 16.825 -8.792 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -16.245 15.239 -9.488 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -15.328 15.273 -9.838 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -16.741 15.817 -10.075 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -15.398 16.560 -6.741 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -15.129 15.619 -6.769 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -15.603 16.779 -7.671 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -15.653 11.114 -1.991 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -16.285 11.506 -1.369 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -16.191 10.470 -2.503 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -17.052 10.749 3.079 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -16.891 10.217 2.268 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -16.157 11.003 3.377 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -24.886 9.749 1.593 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -24.925 9.382 2.507 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -23.927 9.788 1.392 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -13.114 11.184 -1.100 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -12.805 10.284 -0.872 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -14.040 11.047 -1.412 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -21.400 11.467 -3.169 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -22.058 11.023 -2.596 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -20.528 11.172 -2.798 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -27.607 12.393 -2.687 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -27.798 12.608 -1.754 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -26.815 11.811 -2.641 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -14.383 8.273 2.891 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -14.930 8.635 2.167 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -13.490 8.180 2.496 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -16.980 5.843 0.666 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -17.748 6.443 0.767 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -17.052 5.242 1.430 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -14.745 11.892 -4.555 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -15.574 11.714 -5.048 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.976 11.695 -3.627 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -26.292 13.604 -4.753 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -25.577 13.977 -4.185 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -26.892 13.164 -4.114 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -14.411 12.626 0.851 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -13.828 12.153 0.224 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -14.420 13.532 0.529 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -12.234 16.113 -2.935 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -11.793 16.146 -2.065 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -12.487 15.178 -3.039 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -12.719 13.252 -2.902 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -13.194 12.985 -3.708 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -12.824 12.484 -2.298 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -11.886 10.229 4.010 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -11.987 9.502 3.360 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -12.714 10.740 3.926 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -17.227 9.550 -3.612 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -17.298 10.072 -4.440 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -18.033 9.814 -3.091 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -11.792 8.308 1.982 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -10.922 7.917 2.196 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -11.809 8.333 1.006 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -12.388 9.706 -5.305 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -11.740 10.154 -4.710 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -13.043 10.393 -5.501 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -22.212 10.131 0.979 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -21.352 9.907 0.547 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -21.966 10.286 1.923 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -21.240 13.124 4.269 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -20.670 13.463 4.995 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -22.109 12.954 4.700 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -25.186 9.184 4.249 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -25.776 9.820 4.706 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -24.545 8.927 4.934 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -24.139 9.820 -6.265 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -25.003 10.307 -6.296 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -24.293 9.107 -5.633 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -8.177 14.728 -2.685 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -8.961 14.325 -2.269 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -8.406 15.671 -2.761 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -25.857 12.083 2.754 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -26.765 12.153 2.390 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -25.478 11.303 2.296 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -26.171 15.734 -0.853 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -26.296 16.623 -1.236 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -26.340 15.868 0.104 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -9.315 10.993 3.165 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -8.911 11.438 3.922 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -10.238 10.832 3.446 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -29.052 17.411 -3.165 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -29.095 17.131 -4.095 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -29.130 16.578 -2.668 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -14.604 13.842 -6.780 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -14.496 13.307 -5.974 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -15.391 13.450 -7.224 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -12.147 18.576 -4.124 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -11.312 18.480 -4.612 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -12.281 17.692 -3.706 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.128 8.098 8.252 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -13.340 7.919 7.305 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -12.369 7.507 8.444 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -21.362 10.535 3.472 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -21.115 10.124 4.322 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -21.297 11.493 3.646 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -18.895 7.696 1.388 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -19.531 7.593 2.108 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -19.308 8.381 0.797 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -23.087 9.996 -1.588 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -22.519 9.232 -1.851 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -22.902 10.109 -0.628 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -15.660 7.384 -3.117 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -16.213 8.184 -3.299 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -16.214 6.648 -3.401 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -12.903 7.828 -3.396 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -13.868 7.649 -3.380 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -12.780 8.424 -4.173 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -17.495 4.793 3.213 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -17.078 4.017 3.598 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -17.025 5.553 3.633 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -23.964 8.721 6.803 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -24.529 8.006 7.114 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -23.055 8.446 7.076 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -16.446 8.932 1.128 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -17.311 8.472 1.212 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -15.981 8.438 0.423 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -20.903 5.367 6.818 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -20.870 4.408 6.851 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -20.473 5.595 5.960 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -21.121 8.222 -2.152 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -20.514 8.773 -1.599 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -20.674 7.377 -2.221 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -12.469 8.521 -0.759 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -13.310 8.113 -0.444 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -12.455 8.314 -1.720 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -25.148 11.163 -2.821 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -24.383 10.712 -2.389 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -24.739 11.696 -3.530 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -17.311 11.440 -5.656 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -17.149 11.819 -6.544 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -18.241 11.686 -5.462 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -21.515 7.876 7.576 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -21.320 6.929 7.364 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -20.973 8.060 8.355 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -5.842 10.025 7.973 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -5.067 10.043 7.360 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -5.891 9.093 8.260 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -10.413 13.458 -1.457 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -10.461 12.579 -1.059 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -11.156 13.468 -2.103 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -14.944 7.280 -0.474 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -15.189 7.249 -1.424 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -15.534 6.609 -0.052 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -23.336 22.458 -2.974 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -22.762 22.409 -2.188 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -24.050 23.072 -2.711 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -16.344 6.992 4.265 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -15.676 7.447 3.704 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -17.063 7.653 4.365 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -10.109 8.376 -6.416 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -10.978 8.732 -6.146 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -10.002 8.679 -7.351 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -17.795 10.931 -9.603 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -18.622 10.961 -9.064 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -17.911 10.166 -10.171 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -19.988 12.168 -5.426 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -20.458 11.835 -4.630 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -20.359 13.048 -5.566 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -26.311 11.370 -6.326 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -26.155 12.185 -5.800 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -27.146 11.534 -6.772 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -22.107 19.034 -6.744 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -22.181 19.499 -5.880 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -22.122 19.752 -7.401 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -22.821 20.257 -4.402 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -22.877 21.143 -3.969 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -23.399 19.688 -3.846 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -22.763 13.498 -8.333 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -22.800 12.519 -8.322 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -22.348 13.708 -9.175 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -24.666 14.394 -2.709 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -25.201 14.861 -2.031 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -23.949 13.993 -2.210 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -26.138 14.835 3.196 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -25.183 14.862 2.952 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -26.351 13.885 3.188 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -20.603 14.576 8.431 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -20.505 14.886 9.343 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -21.348 13.943 8.470 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -16.801 12.910 -8.049 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -17.110 12.220 -8.684 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.760 13.730 -8.587 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -12.494 14.321 -8.546 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -13.193 14.172 -7.873 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -12.982 14.628 -9.333 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -26.959 10.803 5.623 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -27.447 11.556 6.024 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -27.568 10.464 4.927 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -20.013 11.125 -8.063 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -20.969 10.994 -8.211 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -19.955 11.432 -7.137 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -20.408 10.955 8.505 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -19.779 11.234 9.192 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -21.184 11.536 8.637 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -14.015 7.729 5.665 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.826 8.099 4.785 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -14.864 7.269 5.549 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -22.741 10.734 -8.423 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -22.987 10.125 -9.128 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -23.206 10.380 -7.627 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -19.624 6.099 4.520 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -19.045 5.568 3.942 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -19.226 6.990 4.503 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -17.408 8.762 10.466 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -17.919 8.277 11.150 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -16.576 8.234 10.375 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -9.690 9.162 -8.959 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -9.781 8.518 -9.700 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -9.997 10.007 -9.345 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -18.491 8.726 4.394 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -19.141 9.144 5.001 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -18.113 9.481 3.895 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -9.908 9.075 5.660 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -10.711 9.486 5.279 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -9.344 9.832 5.908 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -29.239 14.586 -3.064 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -28.740 13.747 -3.117 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -29.294 14.892 -3.994 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -24.802 18.943 -3.007 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -25.301 18.772 -2.176 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -24.880 18.116 -3.506 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -10.462 10.562 -3.594 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -9.676 10.515 -4.178 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -10.178 10.109 -2.777 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -9.638 9.218 -1.308 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -10.507 9.110 -0.887 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -9.304 8.299 -1.402 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -7.820 10.365 1.017 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -7.789 9.386 1.035 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -8.465 10.598 1.727 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -14.409 11.794 3.448 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -14.392 12.679 3.868 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -14.429 11.991 2.484 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -9.103 5.811 -7.074 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -8.566 5.707 -6.260 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -9.516 6.689 -6.970 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -10.790 6.072 -3.455 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -11.491 6.762 -3.456 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -11.240 5.280 -3.773 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -26.541 10.109 -0.606 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -26.020 10.358 -1.391 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.866 9.919 0.082 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -7.783 10.838 6.047 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -7.337 10.328 5.336 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -7.230 10.675 6.834 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -6.624 7.115 5.759 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -7.496 6.940 6.183 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -6.745 7.971 5.307 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -9.235 17.449 -2.554 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -9.822 17.033 -1.890 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -9.285 18.407 -2.352 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -23.883 12.591 4.651 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -24.632 12.414 4.038 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -24.163 12.180 5.494 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -10.724 16.091 -0.622 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -10.515 15.137 -0.700 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -10.763 16.249 0.338 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -26.755 15.270 -6.846 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -26.483 14.673 -6.111 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -25.967 15.337 -7.398 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -14.273 10.439 17.317 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -14.481 10.595 16.363 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -14.171 9.483 17.380 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -11.868 10.489 19.231 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -12.711 10.136 19.587 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -11.646 11.220 19.836 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -14.537 10.638 14.663 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.104 11.242 14.138 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -13.982 10.196 13.995 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -12.917 10.149 12.386 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -13.051 11.110 12.443 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -12.805 9.986 11.428 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -10.993 13.472 19.532 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -11.398 14.210 20.036 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -10.091 13.398 19.900 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -15.025 7.596 10.202 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -14.466 7.373 10.978 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -14.385 7.690 9.468 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -18.901 11.709 18.615 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -19.685 12.115 18.183 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -19.086 11.789 19.558 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -14.616 13.939 18.339 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -15.444 13.497 18.055 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -14.902 14.839 18.587 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -18.418 7.436 12.624 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -18.076 6.583 12.915 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -18.573 7.921 13.440 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -13.536 12.700 11.387 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -13.170 13.539 11.076 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -13.325 12.065 10.670 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -10.173 19.357 22.955 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -9.755 18.482 22.793 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -10.175 19.786 22.075 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -22.691 13.916 15.467 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -22.082 13.423 14.869 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -23.350 14.309 14.858 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -13.072 10.524 9.628 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -12.755 9.738 9.133 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -14.022 10.581 9.390 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -16.131 14.412 15.043 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -15.981 13.833 14.266 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -16.303 13.785 15.778 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -10.902 6.779 9.331 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -10.887 6.297 10.173 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -10.441 7.620 9.530 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -17.067 18.684 26.414 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -16.962 19.555 26.858 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -16.263 18.588 25.886 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -12.659 12.015 21.605 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -13.177 12.814 21.444 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -13.294 11.283 21.456 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -15.747 12.499 13.039 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -14.992 12.627 12.421 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -16.515 12.402 12.458 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -12.212 15.255 25.269 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -11.627 15.165 24.484 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -11.967 14.516 25.831 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -7.221 5.915 12.524 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -7.044 5.566 13.429 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -6.530 6.600 12.394 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -9.666 9.597 17.889 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -9.551 8.643 17.953 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -10.465 9.784 18.431 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -16.995 13.110 17.277 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -17.524 12.371 17.639 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -17.597 13.885 17.350 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -18.597 16.558 19.838 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -19.536 16.528 20.142 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -18.507 17.449 19.434 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -18.863 15.035 17.593 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -19.678 14.484 17.552 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -18.892 15.438 18.489 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.326 10.571 19.273 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -15.771 10.715 18.483 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -17.223 10.820 18.985 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -15.706 10.341 8.772 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -15.450 9.800 8.012 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -16.192 9.722 9.353 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -16.020 16.139 26.664 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -16.313 15.458 27.275 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -16.651 16.871 26.796 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -13.183 7.386 12.232 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -13.015 8.315 12.474 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -12.313 6.968 12.267 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -21.160 12.582 13.617 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -21.535 11.865 13.098 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -20.349 12.835 13.126 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -23.875 14.282 10.597 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -24.169 15.193 10.372 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -22.976 14.412 10.981 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -19.158 13.365 11.887 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -18.820 14.190 11.467 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -18.793 12.645 11.327 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -22.433 17.044 13.416 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -22.916 17.594 12.763 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -23.083 16.357 13.674 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -22.694 12.672 8.600 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -23.239 13.128 9.275 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -23.353 12.245 8.009 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -20.448 9.827 5.991 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -20.916 9.040 6.339 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -20.318 10.390 6.786 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -18.086 11.397 10.248 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -17.417 11.569 9.566 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.978 10.437 10.448 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -10.672 14.897 23.061 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -10.298 14.008 22.863 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -11.183 15.125 22.255 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -18.590 15.687 10.525 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -18.986 16.585 10.541 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -18.166 15.633 9.655 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -24.616 11.372 6.993 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -25.537 11.294 6.665 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -24.290 10.445 6.999 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -24.935 19.618 15.314 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -23.961 19.486 15.319 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -25.071 20.411 15.881 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -8.449 21.054 24.314 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -8.195 20.552 25.098 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -9.121 20.487 23.873 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -7.123 6.958 17.123 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -6.762 7.853 16.914 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -6.887 6.820 18.045 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -14.153 9.870 20.731 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -14.998 10.126 20.283 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -14.379 9.068 21.216 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -9.333 12.088 16.933 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -8.504 12.160 16.404 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -9.411 11.125 17.128 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -9.037 6.903 7.078 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -9.468 7.659 6.623 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -9.662 6.667 7.788 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -10.052 6.284 12.317 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -9.096 6.117 12.193 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -10.141 6.436 13.261 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -4.246 4.940 11.886 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -4.419 5.897 11.976 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -4.784 4.674 11.124 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -13.709 17.656 21.992 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -13.382 18.468 22.427 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -14.179 17.186 22.698 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -22.811 14.378 19.590 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -23.349 14.793 18.869 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -23.464 13.954 20.155 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -15.250 19.474 17.259 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -14.818 19.051 18.029 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -14.708 20.256 17.083 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -12.067 15.673 20.836 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -11.503 16.267 20.282 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -12.749 16.271 21.202 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -23.045 18.423 18.866 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -23.608 17.802 18.380 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -23.647 19.163 19.097 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -21.024 13.368 17.760 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -21.573 13.445 16.953 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -21.623 13.655 18.485 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -15.910 16.401 18.673 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -16.663 16.460 19.299 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -15.265 17.063 19.006 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -24.405 15.121 13.536 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -24.423 14.643 12.692 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -25.227 15.653 13.528 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.744 17.847 10.296 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -13.445 17.364 9.500 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -14.677 17.999 10.144 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -21.491 14.996 11.636 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -20.711 14.458 11.866 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -21.542 15.662 12.348 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -14.021 17.280 25.157 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -14.755 16.879 25.673 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -13.307 16.602 25.201 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -26.596 30.693 -37.496 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -26.873 29.837 -37.115 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -26.028 31.093 -36.805 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -21.944 29.892 -37.224 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -22.258 28.988 -37.009 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -22.615 30.232 -37.862 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -21.109 28.874 -29.684 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -20.954 27.983 -30.015 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -22.087 28.903 -29.519 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -10.881 29.469 -32.597 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -10.692 29.504 -33.540 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -11.261 30.360 -32.395 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -25.254 31.778 -33.179 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -24.611 32.185 -32.544 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -25.386 30.872 -32.832 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -21.339 31.574 -30.149 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -20.647 31.854 -30.785 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -21.227 30.603 -30.083 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -23.793 28.932 -29.374 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -24.437 28.591 -28.721 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -24.349 29.225 -30.128 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -25.692 29.873 -31.163 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -26.478 29.384 -30.860 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -25.853 30.796 -30.864 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -26.603 28.288 -34.098 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -25.710 28.661 -34.270 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -27.028 28.284 -34.974 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -7.776 31.546 -30.156 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -8.027 30.671 -30.544 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -6.814 31.539 -30.166 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -15.832 30.194 -31.376 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -15.943 29.754 -30.510 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -15.297 29.566 -31.898 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -15.474 33.377 -29.375 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -16.111 33.179 -30.088 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -15.198 34.298 -29.551 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -16.273 29.222 -28.845 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -16.206 28.238 -28.793 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -17.232 29.405 -28.726 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -28.358 27.421 -32.243 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -27.656 27.700 -32.883 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -28.035 27.744 -31.384 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -14.207 31.101 -28.658 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -14.857 30.390 -28.808 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -14.679 31.920 -28.933 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -8.435 29.196 -31.327 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -9.351 29.284 -31.668 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -8.208 28.279 -31.495 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -19.612 32.775 -31.959 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -19.597 33.078 -32.890 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -19.478 33.597 -31.438 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -12.896 27.977 -31.525 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -12.122 28.490 -31.838 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -13.595 28.181 -32.177 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -27.648 28.622 -29.658 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.939 28.492 -28.985 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -28.277 29.219 -29.224 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -18.896 30.055 -28.463 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.050 30.977 -28.749 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -19.680 29.567 -28.797 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -14.663 28.712 -33.431 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -14.657 29.457 -34.045 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -14.993 27.973 -33.955 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -26.665 25.588 -26.906 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -26.851 25.882 -25.979 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -26.422 24.660 -26.812 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -15.440 26.740 -28.232 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -14.539 26.724 -28.625 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -15.318 26.352 -27.344 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -12.877 26.922 -29.110 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -12.285 26.184 -29.285 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -12.939 27.391 -29.983 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -30.069 36.159 -38.478 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -29.212 35.868 -38.868 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -30.660 35.397 -38.610 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -24.964 32.226 -35.841 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -25.022 31.994 -34.883 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -25.537 33.022 -35.927 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -8.590 35.251 -27.949 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -8.715 34.283 -27.965 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -8.725 35.520 -28.882 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -12.286 28.496 -26.851 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -12.358 28.022 -27.704 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -13.192 28.803 -26.673 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -11.854 31.966 -32.233 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -11.038 32.524 -32.256 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -12.581 32.591 -32.456 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -23.003 27.440 -36.520 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -22.478 26.696 -36.210 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -23.897 27.050 -36.688 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.934 32.934 -28.253 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.327 32.594 -27.568 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -19.748 33.168 -27.756 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -20.116 37.057 -29.226 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -20.654 37.056 -30.048 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -19.392 37.685 -29.423 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -16.814 34.607 -33.612 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -16.812 33.844 -33.000 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -17.620 34.475 -34.153 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -16.850 32.643 -31.686 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -16.511 31.715 -31.627 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -17.824 32.539 -31.696 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -14.166 33.493 -32.653 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -14.645 34.100 -33.239 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -14.865 33.062 -32.137 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -23.432 33.568 -37.693 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -23.925 33.104 -36.984 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -22.520 33.593 -37.369 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -23.979 30.961 -38.689 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -23.893 31.930 -38.667 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -24.931 30.803 -38.571 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -19.286 30.511 -37.545 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -18.943 30.014 -38.290 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -20.202 30.176 -37.431 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -11.843 32.215 -29.475 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -11.847 31.973 -30.424 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -12.589 31.696 -29.094 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -16.168 24.945 -20.735 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -16.956 25.380 -21.142 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -16.469 24.692 -19.857 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -23.646 23.649 -17.216 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -23.798 23.002 -17.913 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -23.238 24.408 -17.681 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -11.447 27.860 -17.165 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -11.191 27.308 -17.935 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -10.868 27.559 -16.454 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -24.524 30.267 -15.684 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -24.150 30.743 -16.460 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -23.844 29.589 -15.473 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -24.991 26.814 -17.539 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -25.570 27.592 -17.422 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -25.244 26.216 -16.808 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -15.487 32.132 -18.065 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -14.735 32.269 -18.677 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -15.199 31.388 -17.498 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -8.030 22.452 -12.166 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -8.580 21.773 -12.597 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -8.220 22.340 -11.220 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -14.819 27.201 -21.739 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -15.038 26.342 -21.318 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -15.683 27.604 -21.914 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -21.834 25.886 -15.792 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -21.937 25.826 -16.761 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -22.233 26.756 -15.563 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -22.725 28.320 -14.930 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -21.853 28.655 -14.624 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.255 28.240 -14.109 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -13.435 32.119 -19.885 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -13.084 31.266 -19.544 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -12.636 32.619 -20.135 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -12.429 29.813 -18.820 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -12.388 29.294 -19.655 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -11.956 29.247 -18.166 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -10.114 28.810 -12.793 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -9.367 29.420 -12.968 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -9.764 27.937 -13.028 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -18.418 26.278 -21.507 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -18.962 26.802 -20.886 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -19.042 26.055 -22.230 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -8.742 26.005 -13.796 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -8.423 26.718 -14.394 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -7.969 25.420 -13.692 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -14.046 23.165 -21.003 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -14.826 23.757 -21.018 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -14.414 22.290 -20.851 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.725 24.363 -11.289 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -15.082 24.017 -10.637 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -16.439 23.700 -11.290 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -23.616 26.757 -20.982 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -24.546 27.070 -20.951 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -23.464 26.559 -21.929 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -14.395 31.309 -14.301 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -14.888 30.625 -13.801 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -14.292 30.925 -15.196 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -20.190 29.082 -14.087 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -20.149 29.474 -13.192 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -19.528 28.374 -14.064 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.029 26.146 -25.565 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -15.657 25.495 -25.232 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -14.228 26.018 -25.002 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -24.334 25.479 -13.014 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -24.450 26.446 -12.899 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -23.513 25.281 -12.546 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -15.963 31.831 -21.034 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -14.995 31.837 -20.896 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -16.325 31.663 -20.151 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -20.240 30.104 -11.498 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -20.151 30.994 -11.920 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -21.070 30.154 -11.014 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -23.489 26.592 -23.733 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -24.026 27.421 -23.818 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -23.936 25.963 -24.312 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -9.637 30.921 -24.422 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -10.017 31.659 -24.939 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -8.714 30.896 -24.692 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -27.159 27.072 -14.727 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -27.103 27.671 -15.503 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -26.718 26.248 -15.029 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -26.831 31.480 -18.208 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -27.560 31.120 -18.766 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -27.053 32.429 -18.112 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -15.963 29.483 -12.928 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -15.367 28.780 -12.598 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -16.822 29.033 -13.024 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -10.131 19.505 -8.062 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -10.749 19.946 -7.446 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -9.751 18.781 -7.539 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -24.486 28.252 -12.811 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -24.290 28.953 -12.172 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -25.430 28.391 -13.030 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -11.447 19.704 -10.426 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -10.889 19.546 -9.628 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -12.135 20.306 -10.116 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -13.085 26.163 -23.671 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -13.631 26.626 -23.006 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -12.373 26.810 -23.892 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -18.043 21.018 -7.391 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -18.536 20.765 -8.200 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -17.112 21.075 -7.689 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -24.966 23.319 -11.344 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -25.050 23.864 -12.148 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -25.226 23.926 -10.621 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -12.769 34.117 -9.515 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -13.285 34.348 -10.314 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -12.611 33.154 -9.602 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -20.638 27.427 -20.148 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -21.056 26.917 -19.435 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -21.115 28.279 -20.141 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -10.801 26.462 -19.494 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -11.271 25.815 -20.079 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -9.872 26.209 -19.565 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -19.848 25.692 -13.830 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -20.177 24.851 -13.482 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -20.416 25.865 -14.609 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -22.685 25.916 -18.538 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -22.842 25.990 -19.506 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -23.470 26.370 -18.140 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -13.888 30.235 -23.244 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -12.994 30.402 -22.887 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -14.042 29.300 -23.064 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -25.401 25.025 -15.494 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -24.949 25.095 -14.624 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -24.848 24.395 -16.002 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -19.344 23.312 -6.717 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -19.640 23.451 -7.623 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -18.819 22.483 -6.763 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -14.959 26.879 -12.142 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -15.185 25.943 -11.931 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -13.982 26.893 -12.153 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -11.311 30.533 -22.259 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -11.478 29.635 -21.889 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -10.680 30.375 -22.999 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -25.246 30.690 -20.433 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -25.560 31.042 -19.573 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -25.902 31.020 -21.080 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -26.919 26.495 -24.383 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -26.484 27.375 -24.371 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -27.527 26.522 -23.623 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -22.835 29.328 -20.018 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -23.578 29.913 -20.276 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -23.157 28.432 -20.224 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -19.519 33.380 -15.469 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -19.852 34.198 -15.856 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -18.557 33.388 -15.682 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -14.487 34.804 -11.628 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -13.693 35.029 -12.162 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -15.140 34.528 -12.286 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -10.619 33.224 -25.730 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -10.511 34.202 -25.723 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -10.286 32.955 -26.617 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -23.507 19.067 -10.393 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -23.832 18.409 -9.748 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -24.101 18.977 -11.142 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -12.350 28.270 -21.053 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -13.218 27.849 -21.230 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -11.822 27.561 -20.631 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -28.554 31.309 -13.565 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -29.205 31.813 -14.073 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -28.729 31.569 -12.627 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -17.770 31.312 -26.283 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -18.081 31.045 -25.401 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -18.179 30.660 -26.893 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -17.234 31.782 -23.482 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -17.794 32.583 -23.412 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -16.849 31.680 -22.583 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -29.256 28.846 -24.350 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -29.119 28.254 -23.577 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -28.351 28.956 -24.727 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -9.703 17.906 -12.927 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -9.053 17.710 -13.610 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -9.765 18.887 -12.927 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -14.184 30.069 -16.763 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -14.181 29.142 -16.490 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -13.534 30.102 -17.501 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -24.831 33.408 -10.573 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -23.930 33.586 -10.857 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -25.010 32.505 -10.893 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -14.212 28.007 -7.176 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -13.829 27.363 -7.810 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -15.180 27.964 -7.355 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -25.856 28.084 -27.657 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -26.109 28.484 -26.798 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -26.024 27.124 -27.530 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -17.873 27.339 -12.860 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -17.040 26.837 -12.809 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -18.542 26.670 -13.145 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -14.985 28.839 -26.256 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -15.022 27.916 -25.920 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -15.376 28.782 -27.149 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -12.081 27.080 -11.474 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -11.624 27.872 -11.816 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -11.372 26.403 -11.413 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -20.843 26.272 -22.797 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -21.695 26.337 -23.267 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -20.998 26.736 -21.956 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.933 25.393 -9.747 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.453 25.690 -10.529 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -25.782 26.215 -9.237 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -16.872 27.842 -7.838 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -17.217 28.153 -8.706 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -17.377 27.040 -7.660 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -11.266 28.081 -24.374 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -10.312 28.155 -24.465 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -11.610 28.313 -25.269 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -22.237 22.852 -11.511 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -23.212 22.887 -11.435 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -22.064 23.044 -12.453 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -22.008 23.619 -14.214 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -22.488 22.983 -14.760 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -21.977 24.430 -14.767 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -13.924 23.576 -9.351 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -13.006 23.344 -9.619 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -13.871 24.525 -9.124 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -13.785 26.418 -9.423 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -14.613 26.514 -9.917 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -13.089 26.674 -10.070 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -19.229 20.356 -9.732 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -19.250 19.380 -9.628 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -20.181 20.624 -9.661 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -17.450 21.952 -11.088 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -18.136 21.445 -10.594 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -17.674 21.806 -12.014 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -16.393 18.359 -8.677 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -16.056 19.265 -8.818 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -17.338 18.416 -8.898 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -26.297 21.217 -9.800 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -26.538 21.876 -9.114 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -25.761 21.723 -10.436 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -21.722 17.048 -8.591 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -22.635 16.812 -8.822 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -21.821 17.703 -7.869 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -9.243 34.282 -14.262 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -9.584 34.000 -13.387 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -9.686 35.135 -14.427 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -10.277 33.630 -11.800 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -10.039 34.347 -11.182 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -10.131 32.814 -11.280 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -12.037 24.969 -21.359 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -12.214 25.180 -22.295 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -12.628 24.205 -21.172 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -12.377 30.449 -12.398 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -11.621 29.949 -12.764 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -12.813 30.833 -13.178 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -11.287 23.314 -10.050 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -10.885 24.023 -10.596 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -10.549 22.685 -9.896 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -10.100 20.638 -12.672 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -10.464 20.365 -11.799 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -10.793 21.188 -13.054 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -29.557 24.255 -11.513 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -29.606 24.015 -10.578 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -30.207 23.685 -11.939 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -5.716 16.939 -11.020 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -5.659 15.959 -11.022 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -6.663 17.122 -10.806 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -8.406 17.151 -10.492 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -9.026 17.407 -11.199 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -8.952 16.622 -9.872 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -12.921 35.228 -22.014 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -12.433 34.499 -22.462 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -12.222 35.720 -21.520 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -25.412 30.819 -11.605 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.397 31.372 -12.421 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -26.112 30.156 -11.787 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -19.941 32.425 -12.862 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -18.965 32.440 -12.786 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -20.114 32.827 -13.734 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -16.291 31.552 -10.586 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -16.074 30.683 -10.953 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -16.621 32.056 -11.355 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -15.486 34.381 -8.996 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -14.531 34.429 -8.805 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -15.559 34.712 -9.909 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -9.855 15.526 -8.725 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -9.640 14.568 -8.766 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -10.827 15.544 -8.671 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -25.877 31.968 -14.015 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -25.455 31.402 -14.702 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -26.821 31.704 -14.032 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -16.853 33.433 -15.986 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -16.462 33.006 -16.777 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -16.088 33.873 -15.549 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -17.208 32.172 -13.187 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -17.080 32.634 -14.035 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -16.750 31.321 -13.308 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -14.574 34.081 -14.633 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -13.754 34.499 -14.302 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -14.443 33.126 -14.453 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -23.978 34.002 -17.487 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -23.745 33.059 -17.598 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -24.638 34.005 -16.769 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -23.078 31.316 -17.783 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -22.883 30.717 -18.527 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -22.255 31.299 -17.239 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -20.929 31.090 -16.100 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -20.612 30.397 -15.495 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -20.383 31.871 -15.878 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.786 32.923 -20.561 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -10.531 31.988 -20.634 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -10.929 33.201 -21.488 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -23.586 14.774 -6.040 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -23.273 14.431 -6.907 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -23.624 13.978 -5.472 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -13.840 15.311 -10.824 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -13.211 16.049 -11.025 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -13.880 14.806 -11.644 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -13.715 30.693 -7.572 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -13.760 29.717 -7.610 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -13.175 30.941 -8.361 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -13.304 21.062 -4.289 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -12.705 20.356 -3.973 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -12.921 21.332 -5.140 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -8.542 15.466 -6.269 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -8.870 16.263 -5.809 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -9.031 15.466 -7.118 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -28.698 20.001 -2.260 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -28.016 20.286 -2.901 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -28.969 19.108 -2.578 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -24.275 17.427 -5.828 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -23.406 17.848 -5.981 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -24.063 16.466 -5.726 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -18.107 28.518 -10.311 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -18.814 29.147 -10.547 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -17.956 28.015 -11.135 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -21.142 24.943 -5.531 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -20.445 24.352 -5.896 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -20.767 25.260 -4.688 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -15.748 21.216 -8.991 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -16.239 21.506 -9.788 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -15.056 21.895 -8.879 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -27.654 16.418 4.929 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -27.063 15.841 4.395 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -28.085 15.802 5.557 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -26.368 27.170 1.622 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -25.696 27.144 2.307 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -25.895 26.849 0.809 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -9.262 17.990 -5.251 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -8.408 18.452 -5.436 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -9.205 17.756 -4.298 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -26.422 19.201 -6.161 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -26.752 18.999 -7.061 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -25.797 18.471 -5.967 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -29.436 17.186 3.010 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -28.772 17.046 3.711 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -30.232 16.737 3.347 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -24.632 17.266 -8.580 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -24.540 17.219 -7.610 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -25.492 17.722 -8.716 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -21.810 20.994 -9.505 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -22.453 20.303 -9.789 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -21.963 21.733 -10.133 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -23.983 25.531 21.938 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -24.274 25.634 21.011 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -23.048 25.249 21.864 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -21.179 26.627 18.435 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -21.415 27.057 19.281 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -20.764 27.342 17.913 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -25.756 24.957 17.673 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -25.329 25.572 18.302 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -25.124 24.231 17.590 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -5.974 17.900 19.124 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -5.959 18.860 18.896 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -6.666 17.527 18.538 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -20.842 24.219 17.205 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -20.960 25.026 17.748 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -20.177 24.477 16.539 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -6.865 21.417 22.031 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -7.328 21.310 22.886 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -6.736 20.490 21.717 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -22.881 22.840 20.585 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -22.257 23.371 21.125 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -23.403 22.345 21.242 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -23.204 23.003 17.881 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -22.343 23.280 17.489 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -23.048 23.052 18.851 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -20.104 27.483 22.584 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -20.005 28.427 22.811 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -19.684 27.015 23.326 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -15.929 28.769 17.511 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -15.183 28.583 18.120 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -16.168 29.695 17.700 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -10.513 17.461 19.527 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -10.849 18.333 19.232 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -9.652 17.657 19.917 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -13.901 27.629 18.951 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -13.196 26.974 18.913 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -13.760 28.086 19.810 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -18.733 29.026 19.741 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -19.280 29.775 20.065 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -19.082 28.847 18.850 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -19.905 30.192 23.203 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.850 31.060 23.663 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -20.071 30.432 22.266 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -21.419 24.412 22.328 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -20.444 24.440 22.360 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -21.690 24.514 23.265 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -25.580 31.456 19.955 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -25.664 30.771 20.629 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -24.674 31.806 20.083 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -15.591 31.262 20.230 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -15.609 30.982 21.164 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -14.911 31.957 20.203 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -15.405 31.913 15.250 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.911 31.745 16.073 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -14.521 31.540 15.435 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -10.222 23.356 21.426 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -10.057 24.072 20.775 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -9.599 23.551 22.156 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -20.767 19.181 17.443 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -21.227 19.256 16.582 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -21.486 18.990 18.078 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -18.264 18.725 18.281 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -17.790 19.565 18.324 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -19.183 18.977 18.006 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -13.984 22.089 24.031 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -13.778 21.160 23.785 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -13.582 22.194 24.898 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -24.223 23.509 23.778 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -24.368 24.270 23.178 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -23.493 23.802 24.360 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -16.045 24.117 23.959 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -16.414 24.042 24.869 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -15.356 23.421 23.921 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -24.625 21.327 22.255 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -24.538 22.106 22.859 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -25.085 20.669 22.786 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -27.349 22.440 14.976 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -27.683 23.268 15.389 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -26.595 22.180 15.547 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -11.696 19.834 18.825 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -11.078 20.340 19.398 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -11.961 20.474 18.133 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -22.129 27.787 20.816 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -22.718 28.016 21.564 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.269 27.585 21.252 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.662 32.209 9.726 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -17.306 32.235 8.987 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -16.394 33.146 9.839 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -22.004 24.610 25.019 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -21.302 24.107 25.473 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -22.054 25.458 25.512 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -10.499 27.057 25.003 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -10.236 27.372 25.885 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -11.054 26.278 25.183 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -9.667 28.712 12.369 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -8.858 29.259 12.327 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -10.221 29.162 13.034 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -20.350 31.076 20.620 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -20.126 31.951 20.235 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -21.321 31.023 20.534 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -12.963 31.658 24.151 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -12.738 32.349 24.785 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -12.678 30.825 24.590 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -10.409 32.316 12.306 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -10.327 31.633 13.003 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -9.488 32.569 12.106 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -22.862 32.043 19.937 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -22.154 32.721 19.815 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -23.011 31.697 19.034 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -13.922 18.247 19.309 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -13.089 18.735 19.118 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -13.874 18.063 20.272 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -9.741 20.790 20.540 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -9.921 21.709 20.843 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -8.773 20.737 20.501 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -12.229 31.498 21.463 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -12.524 31.718 22.372 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -12.675 32.161 20.897 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -24.038 15.430 17.460 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -23.586 14.896 16.778 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -24.679 15.977 16.949 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -15.133 30.396 22.992 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -15.666 30.088 23.750 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -14.459 30.981 23.397 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -22.257 27.227 26.045 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -22.795 27.658 26.717 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -21.479 27.818 25.945 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -18.770 24.330 23.364 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -18.909 25.151 23.885 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -17.803 24.198 23.385 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -14.019 26.868 25.524 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.379 26.279 25.984 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.829 26.720 24.561 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -19.823 22.729 25.354 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -19.628 23.036 24.445 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -19.797 21.751 25.290 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -24.534 20.697 19.512 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -23.816 21.325 19.319 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -24.706 20.822 20.467 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -12.906 23.978 22.117 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -12.024 23.654 21.848 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -13.280 23.250 22.645 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -21.303 16.619 20.110 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -21.873 17.321 19.735 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -21.835 15.803 20.013 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -17.511 23.943 26.264 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -17.586 24.018 27.243 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -18.417 23.692 25.973 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -17.345 21.299 27.084 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -17.165 22.209 26.794 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -18.210 21.090 26.687 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -19.310 19.977 25.440 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -18.588 19.357 25.683 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -20.002 19.405 25.088 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -10.721 28.559 27.420 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -10.309 29.399 27.650 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -11.493 28.810 26.879 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -13.402 28.913 21.338 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -12.806 29.685 21.266 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -14.134 29.232 21.904 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -23.862 26.259 19.243 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -23.153 25.975 18.642 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -23.437 26.938 19.805 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -13.342 26.585 22.960 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -13.134 25.718 22.544 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -13.199 27.236 22.247 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -8.244 23.658 23.332 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -7.427 23.389 22.884 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -8.439 22.913 23.938 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -9.745 25.423 19.649 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -9.826 26.341 19.980 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -10.534 25.301 19.076 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -25.401 21.754 16.877 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -24.553 22.230 17.037 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -25.614 21.361 17.742 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -28.094 24.792 16.214 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -28.457 25.699 16.313 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -27.288 24.796 16.784 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -22.251 19.215 15.134 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -22.170 18.412 14.574 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -22.026 19.955 14.529 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.617 33.222 19.669 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -13.372 33.099 18.740 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -14.458 33.746 19.627 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.317 27.845 23.362 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -22.995 27.593 24.242 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -23.699 27.022 23.002 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -19.887 32.578 24.484 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -19.516 33.289 25.049 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -20.567 33.033 23.939 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -18.417 31.111 26.278 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -18.917 31.587 25.577 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -18.135 31.818 26.881 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -12.848 19.526 23.890 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.889 19.395 23.729 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -13.104 18.768 24.462 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -21.771 33.547 22.645 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -22.232 34.400 22.468 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -22.249 32.905 22.099 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -19.088 37.586 22.223 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -19.701 37.617 22.965 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -19.157 36.656 21.894 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -16.733 31.624 17.764 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -17.429 32.301 17.868 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.385 31.501 18.675 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -14.738 37.022 21.864 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -13.784 36.992 22.119 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -14.813 36.371 21.154 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -27.197 31.119 17.796 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.606 31.294 18.564 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -26.699 31.464 17.032 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -25.624 17.008 15.901 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -25.395 17.951 15.786 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -26.131 16.788 15.101 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -26.671 16.982 13.252 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -27.209 16.726 12.466 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -26.931 17.904 13.423 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -10.630 30.452 14.406 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -10.121 30.182 15.198 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -11.501 30.719 14.765 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -9.581 30.590 21.468 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -10.513 30.886 21.413 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -9.074 31.406 21.485 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -16.569 26.916 26.364 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -15.607 26.853 26.148 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -16.686 26.298 27.097 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -12.139 25.195 26.624 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -12.423 24.333 26.939 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -11.415 25.450 27.244 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -12.399 29.131 25.218 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -13.164 28.528 25.321 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -11.720 28.579 24.776 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -18.942 26.581 24.959 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -18.109 26.566 25.473 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -19.422 27.362 25.307 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -20.162 28.952 25.669 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -19.643 29.618 26.161 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -20.269 29.348 24.776 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -16.796 29.293 24.999 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -17.338 29.991 25.432 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -16.710 28.599 25.689 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.686 23.795 28.945 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -17.423 22.904 29.220 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -18.284 24.093 29.640 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -10.208 26.121 28.276 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -9.568 26.235 28.985 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -10.455 27.042 28.024 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -10.142 37.171 -32.592 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -9.837 36.893 -33.463 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -9.792 38.092 -32.496 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -26.570 34.398 -36.028 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -26.539 34.510 -35.053 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -27.528 34.420 -36.238 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -19.406 34.010 -34.464 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -19.800 33.442 -35.166 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -19.987 34.795 -34.443 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -11.610 45.173 -31.976 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -12.009 45.783 -32.602 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -12.374 44.717 -31.564 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -18.956 40.998 -29.482 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -18.055 41.381 -29.548 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -18.905 40.175 -30.019 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -20.766 32.460 -36.309 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -21.406 31.729 -36.292 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -20.001 32.089 -36.798 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -18.906 34.778 -30.246 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -18.801 34.087 -29.549 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -19.377 35.504 -29.791 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -15.003 38.202 -28.723 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -14.122 38.619 -28.793 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -15.566 38.899 -28.343 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -24.116 41.457 -33.589 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -24.124 41.033 -34.471 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -25.041 41.738 -33.454 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -19.937 39.876 -34.186 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -19.404 39.274 -34.718 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -19.299 40.499 -33.819 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -17.856 46.287 -30.072 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.132 46.391 -30.992 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -17.740 47.193 -29.753 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -25.824 42.534 -30.965 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -26.218 42.296 -31.832 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -26.591 42.635 -30.376 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -20.921 43.032 -29.380 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -21.728 42.987 -29.945 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.394 42.259 -29.661 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.258 44.501 -30.716 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -8.493 44.433 -31.327 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -9.997 44.797 -31.291 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -27.380 39.143 -33.054 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -26.532 38.650 -33.042 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -27.934 38.693 -32.380 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -17.021 36.347 -31.550 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -16.890 35.903 -32.418 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -17.664 35.770 -31.084 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -18.534 38.631 -30.854 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -19.285 38.279 -31.380 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.778 38.063 -31.110 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -14.702 35.931 -30.163 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -14.758 36.683 -29.526 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -15.464 36.078 -30.767 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -25.292 35.556 -38.130 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.508 34.972 -38.190 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -25.732 35.276 -37.299 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -16.380 41.911 -29.326 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -16.268 42.879 -29.205 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -15.539 41.624 -29.743 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -28.238 42.884 -29.599 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -27.952 42.883 -28.656 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -28.694 42.018 -29.709 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -19.282 44.849 -28.147 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -18.830 45.383 -28.831 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -19.895 44.271 -28.660 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -13.775 41.330 -29.973 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -13.172 41.114 -30.709 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -13.456 40.768 -29.240 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -23.072 42.615 -31.084 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -24.022 42.606 -30.832 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -23.080 42.370 -32.022 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -24.793 38.354 -33.547 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -24.784 38.843 -34.397 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -23.957 38.618 -33.115 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -20.799 37.427 -31.886 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -20.957 36.774 -32.599 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -21.403 38.172 -32.107 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -24.256 35.753 -33.936 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -24.590 36.675 -33.909 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -25.047 35.208 -33.756 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -22.312 39.475 -32.834 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -22.886 40.268 -32.909 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -21.545 39.678 -33.415 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -20.569 37.683 -26.622 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -21.474 38.012 -26.639 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -20.414 37.356 -27.541 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -21.586 35.545 -33.809 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -21.696 34.621 -33.550 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -22.505 35.844 -34.013 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.623 39.576 -26.115 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -19.334 38.930 -26.321 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.035 40.452 -26.296 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -16.184 40.196 -27.223 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.452 40.799 -27.954 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.038 39.884 -26.845 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -14.091 37.689 -25.964 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -14.696 38.085 -26.606 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -13.361 37.335 -26.515 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -22.700 42.784 -23.216 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -22.874 42.927 -24.173 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -21.777 43.093 -23.094 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -11.401 46.995 -25.808 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -10.928 47.627 -26.363 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -11.950 47.559 -25.211 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -11.289 44.079 -28.970 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -12.082 44.100 -29.544 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -10.544 44.266 -29.590 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -12.571 39.422 -28.266 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -12.399 39.861 -27.396 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -12.310 38.482 -28.115 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -11.441 39.991 -30.691 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -11.864 39.175 -31.049 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -11.560 39.912 -29.725 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -9.602 35.513 -30.494 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -9.723 36.165 -31.218 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -10.505 35.388 -30.132 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -25.704 38.315 -37.556 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -26.684 38.355 -37.621 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.483 37.413 -37.856 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -24.218 39.845 -35.865 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.416 39.877 -36.396 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -24.873 39.387 -36.451 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -12.155 34.925 -29.583 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -13.063 35.065 -29.922 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -12.066 33.947 -29.526 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -9.418 33.116 -31.843 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -9.378 33.993 -31.412 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -8.794 32.569 -31.331 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -19.344 43.384 -20.022 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -19.192 42.707 -19.330 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -20.275 43.651 -19.894 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -15.990 46.421 -17.678 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -16.277 45.509 -17.548 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -15.965 46.793 -16.767 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -24.210 44.781 -22.094 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -23.537 45.485 -22.114 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -23.772 44.020 -22.529 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -15.834 46.925 -14.930 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -16.615 47.460 -14.648 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -15.591 46.418 -14.121 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -9.726 37.167 -17.272 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -9.401 37.818 -17.908 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -9.803 36.343 -17.790 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -10.494 40.305 -14.326 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -10.333 39.936 -13.437 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -11.237 39.771 -14.672 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -16.940 47.031 -20.239 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -16.811 46.882 -19.280 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -16.114 47.454 -20.524 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -22.241 46.351 -17.819 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -21.962 47.220 -17.504 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -23.200 46.455 -17.984 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -13.878 37.670 -19.691 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -14.034 38.600 -19.963 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -12.927 37.522 -19.868 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -14.138 47.598 -19.440 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.676 47.082 -18.803 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.737 48.293 -18.899 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -9.613 42.053 -16.266 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -8.677 41.995 -16.064 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -10.038 41.459 -15.606 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -14.588 42.838 -12.716 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -14.729 42.572 -11.791 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -13.897 42.243 -13.032 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -21.939 44.435 -19.683 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -21.962 44.978 -20.496 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -21.904 45.101 -18.953 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -20.515 48.123 -12.859 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -21.381 48.491 -13.153 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -20.738 47.218 -12.552 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -23.106 48.618 -13.435 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -23.526 48.938 -14.257 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -23.410 47.694 -13.357 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -11.650 33.113 -23.186 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -11.300 33.143 -24.105 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -11.604 32.164 -22.944 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -12.626 48.353 -23.806 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -12.541 47.908 -22.940 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -13.258 49.061 -23.647 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -26.196 44.861 -12.541 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -26.422 44.530 -13.437 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -26.834 45.602 -12.390 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.039 46.539 -15.907 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -25.033 46.489 -16.887 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -24.872 47.489 -15.720 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -18.965 49.682 -11.279 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -19.237 50.537 -11.628 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -19.531 49.036 -11.760 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -21.766 46.158 -21.856 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -21.421 45.453 -22.449 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -21.046 46.827 -21.849 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -12.375 41.408 -10.930 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -13.056 41.771 -10.335 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -12.040 42.195 -11.418 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.622 45.801 -12.017 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -22.455 45.783 -12.543 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.177 44.957 -12.246 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -12.673 38.748 -15.126 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -13.584 38.792 -14.757 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -12.806 38.742 -16.082 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -26.872 36.223 -19.639 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -25.934 36.320 -19.351 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -27.176 35.408 -19.185 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -17.959 44.979 -21.696 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -17.636 45.653 -21.056 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -18.441 44.324 -21.130 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -18.022 44.111 -25.816 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -18.414 44.485 -26.633 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -18.333 43.193 -25.808 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -30.641 46.698 -11.967 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -30.827 46.064 -12.696 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -31.436 46.677 -11.428 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -17.948 48.277 -13.861 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -17.689 48.771 -13.074 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -18.903 48.109 -13.731 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -11.208 41.067 -22.607 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -10.242 40.943 -22.500 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -11.290 41.850 -23.199 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -12.354 46.734 -21.488 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -12.907 47.048 -20.741 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -12.752 45.867 -21.731 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -13.235 47.073 -15.825 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -13.272 46.181 -16.178 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -14.128 47.221 -15.455 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -22.254 49.688 -24.124 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -22.997 49.783 -23.497 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -22.183 50.551 -24.542 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -27.721 42.733 -26.926 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -28.194 43.568 -26.712 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -27.007 42.682 -26.254 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -19.339 47.379 -22.110 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -18.818 47.819 -21.422 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -18.891 46.521 -22.233 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -21.382 51.588 -18.773 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -20.784 51.815 -19.493 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -21.176 52.229 -18.082 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -12.340 45.860 -13.325 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -13.279 45.866 -13.055 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -12.295 46.514 -14.041 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -16.027 45.806 -26.674 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -15.994 46.550 -26.063 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -16.621 45.160 -26.232 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -15.651 45.684 -23.028 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.507 45.476 -22.603 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -14.983 45.358 -22.397 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -24.363 49.218 -15.844 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -24.891 50.020 -15.913 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -23.800 49.229 -16.658 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.687 47.482 -24.599 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -21.299 48.248 -24.535 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.106 47.580 -23.823 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -15.397 38.914 -14.410 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -16.184 39.370 -14.738 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -15.726 38.361 -13.692 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -14.760 40.095 -20.661 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -14.239 40.859 -20.335 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -14.542 40.054 -21.615 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -23.144 43.512 -25.814 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -23.274 43.308 -26.750 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -22.425 44.188 -25.815 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -25.112 41.519 -22.644 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -24.172 41.799 -22.637 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -25.106 40.657 -22.212 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -24.322 36.425 -18.626 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -24.209 35.518 -18.252 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -23.426 36.771 -18.670 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -27.489 41.912 -20.739 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -26.982 42.074 -21.548 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -28.037 41.135 -20.954 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -23.670 49.076 -6.036 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -23.537 48.118 -5.864 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -24.428 49.104 -6.628 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -14.141 45.262 -10.087 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -14.497 45.685 -9.273 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -13.226 44.994 -9.835 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -13.596 44.016 -30.482 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -13.702 43.045 -30.404 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -14.382 44.380 -30.019 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -26.130 43.306 -10.269 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -26.182 43.821 -11.109 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -25.175 43.097 -10.176 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -20.961 45.155 -25.949 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -20.925 46.065 -25.558 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -20.393 45.216 -26.743 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -15.869 44.615 -29.104 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -15.794 45.019 -28.207 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -16.569 45.143 -29.541 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -15.026 45.515 -12.680 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -14.837 45.607 -11.719 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -14.975 44.544 -12.839 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -20.377 44.328 -23.372 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -20.434 44.573 -24.323 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -19.425 44.356 -23.176 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -19.549 41.964 -26.951 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -20.202 42.673 -27.058 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -19.390 41.648 -27.869 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -12.435 44.573 -26.550 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -12.003 44.388 -27.415 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -12.069 45.449 -26.285 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.899 42.633 -9.859 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -15.434 42.696 -9.044 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -14.610 43.560 -10.022 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -25.788 42.731 -24.978 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -25.597 42.190 -24.177 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -24.920 43.107 -25.224 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -24.356 50.040 -22.319 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -24.449 50.836 -21.779 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -25.259 49.829 -22.589 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -15.123 45.871 -7.625 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -15.602 45.023 -7.616 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -15.044 46.107 -6.680 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -13.448 44.278 -22.055 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -12.901 43.928 -22.793 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -13.365 43.591 -21.357 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -10.421 45.102 -19.711 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -9.760 45.736 -19.416 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -10.938 45.587 -20.371 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -11.761 43.287 -24.030 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -12.108 43.442 -24.927 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -10.854 43.655 -24.059 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -12.790 42.058 -20.568 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -12.169 42.214 -19.816 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -12.216 41.699 -21.278 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -11.316 43.624 -12.118 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -10.589 43.391 -12.708 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -11.676 44.463 -12.501 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -9.710 41.185 -9.957 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -10.655 41.301 -10.157 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -9.547 41.800 -9.218 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -12.143 36.804 -27.608 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -11.449 36.483 -26.993 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -12.145 36.140 -28.336 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -13.622 40.073 -23.223 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -12.708 40.259 -22.915 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -13.669 39.091 -23.267 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -10.599 39.331 -11.718 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -11.442 39.800 -11.564 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -9.957 39.808 -11.146 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -12.331 31.378 -9.820 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -11.351 31.453 -9.781 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -12.507 31.051 -10.735 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -14.018 37.413 -23.265 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -13.546 36.592 -23.030 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -14.056 37.399 -24.252 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -10.182 35.937 -25.901 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -9.520 35.791 -26.623 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -9.771 36.603 -25.334 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -23.857 45.899 -13.523 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -24.195 46.001 -14.439 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -24.621 45.526 -13.029 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -22.891 49.360 -18.121 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -23.049 48.939 -18.989 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -22.346 50.149 -18.334 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -12.297 34.926 -13.237 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -11.775 35.575 -13.760 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -11.619 34.420 -12.740 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -24.866 46.755 -18.619 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -24.493 47.273 -19.362 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -25.797 46.577 -18.893 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -23.361 48.101 -20.565 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -22.797 47.442 -21.018 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -23.642 48.707 -21.280 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -11.315 36.706 -20.333 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -10.931 36.082 -19.684 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -10.730 37.497 -20.281 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -28.277 42.843 -23.712 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -27.391 42.876 -24.113 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -28.572 43.774 -23.712 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -16.693 44.247 -0.755 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -17.494 44.256 -1.325 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -16.010 44.693 -1.299 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -17.525 50.634 1.192 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -17.240 51.422 1.668 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -18.129 50.967 0.519 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.013 47.806 -1.441 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -23.556 48.576 -1.636 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -22.467 47.689 -2.247 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -24.867 40.049 -0.877 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -24.688 40.624 -0.105 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -25.033 39.179 -0.491 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -16.805 48.024 1.733 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -17.258 47.985 2.582 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -17.039 48.914 1.380 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -14.014 37.953 -0.123 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -13.276 37.349 0.083 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -13.785 38.314 -0.992 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -20.241 33.414 8.621 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -20.831 32.625 8.477 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -20.328 33.610 9.576 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -19.000 44.302 -2.221 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -19.106 45.278 -2.346 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -19.426 43.918 -2.997 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.431 43.918 2.014 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -22.348 44.226 1.980 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -20.970 44.469 1.336 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -23.762 45.956 0.496 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -24.021 46.636 1.124 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -23.390 46.460 -0.262 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -28.241 42.220 -6.666 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -29.184 42.015 -6.823 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -28.138 43.143 -6.977 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -14.689 47.355 0.046 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -15.463 47.584 0.604 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -13.969 47.869 0.421 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -11.065 39.245 1.901 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -11.152 38.347 1.517 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -10.410 39.687 1.321 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -13.277 43.771 -0.416 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -13.324 44.206 0.446 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -13.589 42.856 -0.237 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -12.551 42.755 3.915 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -12.335 43.656 4.163 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -13.392 42.839 3.412 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -20.046 45.299 0.155 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -20.031 46.210 -0.174 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.703 44.774 -0.591 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -24.277 42.159 4.047 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -25.147 42.471 4.363 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -24.045 41.436 4.663 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -19.399 46.964 -2.320 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -18.690 47.362 -2.866 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -20.228 47.269 -2.749 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -14.366 32.954 -5.869 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -13.843 33.562 -5.315 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -13.715 32.319 -6.203 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -27.288 41.408 2.237 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -27.997 41.942 1.824 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -27.132 41.851 3.104 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -12.433 38.913 6.391 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -13.183 39.283 6.891 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -12.242 39.582 5.709 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -29.365 42.929 1.285 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -30.275 42.986 0.905 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -28.777 43.004 0.500 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -15.729 38.534 3.973 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -15.808 39.089 4.780 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -14.966 38.924 3.488 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -16.303 40.083 6.122 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -15.647 40.074 6.852 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -17.015 39.472 6.431 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -16.612 41.986 0.742 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -15.805 41.538 0.410 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -16.674 42.801 0.196 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -20.916 37.901 3.390 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -19.983 38.182 3.273 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -20.896 37.359 4.198 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -30.175 39.755 -4.476 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -30.305 39.593 -3.518 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -29.200 39.852 -4.571 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -18.269 41.268 4.502 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -17.440 41.181 5.023 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -18.188 42.141 4.062 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -16.814 45.177 1.826 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -16.765 44.892 0.887 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -16.804 46.151 1.778 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -16.933 38.624 0.786 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -16.679 37.842 1.301 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -16.184 38.764 0.191 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -26.970 42.571 4.620 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -27.265 43.321 5.162 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.131 41.790 5.191 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.697 43.318 2.673 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -19.591 43.701 2.569 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -18.093 44.039 2.391 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -11.302 43.396 -2.476 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -11.911 43.529 -1.721 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -11.815 43.670 -3.244 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -21.574 47.770 -3.775 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -21.335 48.544 -4.323 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -22.090 47.195 -4.384 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -17.580 47.935 -4.206 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -17.047 48.738 -4.164 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -18.162 48.074 -4.993 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -15.622 46.064 -4.845 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -16.341 46.658 -4.557 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -15.151 45.843 -4.019 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -23.243 39.004 2.623 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -22.397 38.533 2.821 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -22.958 39.880 2.316 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -14.671 45.581 -2.089 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -14.668 46.352 -1.478 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -14.075 44.938 -1.658 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -20.692 46.433 -7.108 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -20.061 47.144 -6.865 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -20.987 46.675 -8.019 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -21.540 47.148 -9.619 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -21.550 46.575 -10.415 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -21.820 48.008 -9.946 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -24.635 45.043 -7.491 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -24.303 44.681 -8.324 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -25.578 44.802 -7.485 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -15.652 36.378 2.398 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -15.650 37.093 3.075 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -16.332 35.770 2.697 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -19.112 48.531 -6.365 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -19.805 49.188 -6.135 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -18.736 48.862 -7.219 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.386 38.778 3.429 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.447 38.513 3.532 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -18.465 39.581 3.982 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -21.224 50.026 -5.428 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -22.125 49.759 -5.741 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -21.305 50.970 -5.253 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -14.048 41.171 0.214 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -13.341 40.760 -0.337 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -13.992 40.691 1.066 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -23.007 46.436 -5.758 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -23.659 45.871 -6.234 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -22.171 46.312 -6.266 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -18.025 49.204 -8.747 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -18.408 49.419 -9.628 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -17.211 48.733 -8.953 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -25.413 42.078 7.200 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -24.494 42.107 7.483 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -25.899 42.556 7.905 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -21.353 41.254 3.011 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -21.516 42.205 2.829 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -21.336 41.195 3.984 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -11.805 44.091 -9.410 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -11.148 43.691 -8.805 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -11.403 44.000 -10.295 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -19.906 36.411 5.576 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -20.571 35.781 5.945 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -19.216 35.841 5.218 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -24.868 34.842 6.312 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -24.189 35.486 6.082 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -24.374 33.986 6.382 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -14.875 43.314 2.562 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -15.333 42.588 2.105 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -15.500 44.064 2.498 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -16.966 36.930 8.868 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -16.639 36.021 9.028 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -16.300 37.500 9.298 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -21.604 34.659 6.687 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -20.996 34.308 7.381 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -22.271 33.934 6.575 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -18.236 38.284 6.821 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -17.835 37.762 7.554 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -18.879 37.669 6.415 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -17.467 36.449 12.002 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -17.707 36.414 11.065 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -17.885 35.651 12.387 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -27.396 44.453 -8.143 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -27.809 45.259 -8.475 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -27.037 44.017 -8.950 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -9.675 40.633 -6.215 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -10.001 40.351 -5.336 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -9.176 39.872 -6.538 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -9.936 42.864 -7.769 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -9.971 42.054 -7.206 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -9.523 43.525 -7.204 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -11.942 40.060 -1.149 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -11.107 40.049 -0.641 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -11.658 40.190 -2.067 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -24.720 41.692 1.384 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -25.674 41.517 1.546 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -24.365 41.902 2.277 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -10.136 37.479 6.320 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -9.558 38.174 5.946 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -11.035 37.894 6.326 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -10.145 34.995 -9.289 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -10.128 35.783 -9.875 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.095 34.759 -9.230 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -9.064 41.860 -2.233 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -9.836 42.474 -2.316 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -8.295 42.438 -2.296 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -13.775 39.302 2.230 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -13.972 38.740 1.447 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -12.794 39.342 2.255 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -11.181 40.443 4.366 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -11.679 41.285 4.231 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -11.161 40.033 3.473 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -26.575 35.537 8.301 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -26.018 35.433 7.497 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -26.065 36.137 8.869 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -10.300 33.532 8.870 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -10.811 33.487 9.688 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -10.991 33.611 8.158 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -12.165 35.136 -4.925 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -12.423 35.947 -4.439 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -12.006 35.441 -5.825 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -25.590 34.695 0.261 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -25.490 35.484 0.829 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -24.860 34.760 -0.364 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -25.175 37.244 1.655 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -25.945 37.636 2.096 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -24.415 37.747 2.015 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -8.911 32.285 6.807 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -9.294 32.603 7.649 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -9.014 33.042 6.201 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -10.321 39.837 -3.595 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -9.973 38.978 -3.262 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -9.754 40.511 -3.159 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -26.452 38.790 15.058 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -26.495 38.446 14.140 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -25.702 39.414 15.042 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -14.497 39.022 18.574 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -14.813 39.330 19.454 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -15.275 39.081 18.008 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -26.472 37.501 17.441 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -26.505 37.833 16.514 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -25.818 38.086 17.880 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -16.061 36.208 16.932 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -16.165 35.624 16.145 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -15.930 37.108 16.546 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -29.119 38.339 17.794 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -28.186 38.059 17.859 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -29.133 38.946 17.024 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -21.980 41.033 17.326 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -21.052 41.321 17.442 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -22.090 40.325 17.981 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -21.360 36.255 19.246 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -21.217 35.289 19.377 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -20.473 36.594 19.019 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -13.433 36.578 17.971 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -14.295 36.340 17.588 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -13.542 37.522 18.231 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -24.162 40.328 15.870 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -24.518 39.907 16.676 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -23.330 40.759 16.177 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -15.965 34.482 19.163 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -15.964 35.134 18.436 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -16.886 34.141 19.173 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -12.730 33.404 13.326 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -13.481 32.920 12.910 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -11.930 33.030 12.889 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -24.608 40.383 13.159 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -24.845 41.297 12.980 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -24.260 40.399 14.079 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -16.719 37.409 23.708 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -15.962 37.255 23.105 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -17.478 37.538 23.108 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -20.602 34.383 11.234 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -19.786 34.550 11.740 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -21.108 33.751 11.805 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -24.735 39.374 18.420 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -23.823 39.167 18.727 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -24.999 40.131 18.958 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -24.879 37.194 10.033 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -24.230 36.474 10.199 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -24.418 37.794 9.429 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -15.420 37.727 13.212 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -16.272 37.376 12.853 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -14.774 37.008 13.035 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -15.497 38.630 15.795 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -14.863 39.354 15.816 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -15.524 38.363 14.846 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -29.776 35.660 17.844 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -29.619 36.608 18.029 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -29.270 35.189 18.544 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -30.807 41.318 17.054 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -30.098 40.862 16.556 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -30.606 42.250 16.952 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -23.053 36.715 7.781 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -23.075 36.153 8.585 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -22.385 36.284 7.214 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -18.395 36.545 18.529 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -18.476 35.569 18.619 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -17.651 36.662 17.911 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -23.385 39.855 5.298 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -23.454 39.462 4.402 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -22.423 39.978 5.433 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -19.389 41.074 18.264 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -19.376 40.263 18.815 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -18.464 41.311 18.171 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -22.140 38.892 19.179 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -22.079 37.920 19.088 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -21.247 39.155 19.481 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -14.480 39.849 8.172 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -14.281 40.631 8.698 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.535 39.123 8.836 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -27.235 43.298 8.883 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -27.446 44.014 9.492 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -27.766 43.499 8.080 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -15.476 39.524 21.079 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -15.183 38.635 21.375 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -15.799 39.944 21.881 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -13.843 35.680 12.376 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -13.378 35.813 11.520 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -13.388 34.909 12.777 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -18.537 34.129 13.124 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -17.885 34.151 13.850 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -18.965 33.258 13.212 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -19.401 38.773 19.754 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -19.247 38.554 20.700 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -18.933 38.057 19.267 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -25.032 38.392 6.989 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -24.320 37.749 7.208 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -24.579 39.067 6.434 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -23.752 34.259 17.677 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -23.324 33.397 17.524 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -23.027 34.840 17.943 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -20.625 40.465 5.659 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -19.780 40.817 5.301 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -20.353 39.931 6.419 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -19.624 35.019 21.539 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -20.300 34.500 22.013 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -19.439 34.493 20.740 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -16.933 36.142 26.096 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -16.865 36.508 25.182 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -16.545 36.824 26.650 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -18.574 34.031 26.457 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -18.974 34.369 27.263 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -17.904 34.719 26.216 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -14.742 38.075 10.247 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -14.084 37.354 10.123 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -14.897 38.092 11.207 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -15.636 34.711 9.828 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -14.923 34.383 9.219 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -15.160 34.975 10.631 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -16.119 34.523 14.683 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -15.654 34.740 13.859 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -15.813 33.614 14.900 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -26.416 34.773 17.254 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -25.462 34.544 17.343 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -26.438 35.752 17.365 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -12.952 35.997 9.839 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -13.183 35.286 9.194 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -12.043 36.272 9.571 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -22.836 35.820 21.583 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -23.678 36.238 21.379 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -22.244 36.107 20.860 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -12.062 36.856 22.269 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -11.865 36.353 21.446 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -11.260 37.354 22.439 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -11.869 35.465 19.960 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -12.253 35.966 19.209 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -12.336 34.616 19.940 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -15.137 32.432 12.306 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -15.734 32.199 11.571 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -15.569 32.062 13.093 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 0.290 9.450 -20.692 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -0.347 9.193 -21.387 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 1.120 9.618 -21.179 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.004 9.446 -17.106 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -5.932 9.694 -17.164 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -4.959 8.588 -17.544 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -0.118 10.231 -14.198 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 0.187 9.899 -13.332 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 0.568 9.924 -14.819 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 2.330 10.041 -22.442 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 2.921 10.827 -22.373 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 2.904 9.343 -22.776 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -2.458 11.599 -14.293 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -2.719 11.427 -15.220 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -1.602 11.117 -14.194 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -3.426 10.953 -11.595 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -3.172 11.258 -12.488 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -3.623 9.999 -11.716 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 5.389 10.356 -17.056 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 5.722 10.999 -16.390 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 5.285 10.887 -17.865 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 4.994 12.087 -19.256 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 4.569 11.426 -19.818 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 4.845 12.935 -19.732 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 3.738 12.342 -22.376 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 4.151 13.046 -21.835 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 3.020 12.805 -22.859 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 4.919 8.274 -15.374 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 5.388 7.503 -15.709 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 5.147 8.992 -16.013 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -1.367 11.045 -19.292 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -0.752 10.364 -19.659 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -1.682 11.530 -20.085 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 2.428 9.494 -15.177 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 3.184 8.911 -15.398 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 2.851 10.348 -14.933 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -1.626 10.837 -9.451 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -2.235 10.992 -10.203 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -1.781 9.894 -9.215 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -7.774 5.828 -11.145 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -7.509 5.032 -11.650 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -8.244 5.462 -10.364 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -9.846 7.645 -11.220 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -10.035 7.778 -12.152 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -9.120 6.989 -11.213 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 5.841 12.955 -12.677 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 6.387 13.319 -11.951 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 5.361 13.739 -13.030 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 4.742 14.332 -20.816 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 5.690 14.534 -20.924 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 4.305 15.211 -20.829 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -2.540 15.939 -18.280 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -3.032 15.225 -17.817 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -2.282 15.537 -19.134 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 1.223 14.805 -20.996 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 1.991 15.388 -20.864 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 1.401 14.367 -21.858 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -3.895 8.249 -11.998 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -3.693 8.057 -12.922 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -3.288 7.663 -11.494 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 6.619 17.046 -9.961 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 7.365 17.482 -10.428 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 6.397 17.656 -9.251 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -5.669 11.747 -10.107 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -4.849 11.346 -10.468 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -5.999 11.084 -9.464 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 0.525 12.513 -9.867 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 0.988 12.452 -8.999 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -0.204 11.855 -9.795 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -2.001 6.523 -10.967 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -2.084 5.571 -10.846 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -1.257 6.620 -11.614 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 2.323 12.743 -12.016 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 1.743 12.461 -11.280 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 1.757 13.321 -12.557 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 4.421 8.722 -12.674 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 4.657 8.557 -13.611 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 4.785 7.942 -12.195 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -1.607 9.210 -22.721 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -1.864 8.437 -23.233 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.463 9.578 -22.394 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -0.008 11.420 -23.172 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 0.830 10.952 -22.981 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -0.682 10.709 -23.164 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -3.832 10.470 -21.822 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -4.730 10.774 -21.678 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -3.284 11.279 -21.726 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 6.147 12.311 -15.350 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 6.344 12.482 -14.405 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 6.556 13.055 -15.818 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -5.110 14.254 -11.098 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -5.499 13.438 -10.709 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -4.429 13.926 -11.697 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 1.323 14.768 -25.925 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 1.534 15.616 -26.330 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 0.912 14.262 -26.633 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -1.992 12.483 -21.532 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -1.871 13.414 -21.248 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -1.262 12.328 -22.168 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 6.570 14.085 -17.702 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 5.945 13.371 -17.918 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 7.044 14.245 -18.537 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -6.815 9.532 -8.770 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -6.697 8.997 -9.586 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -7.778 9.495 -8.603 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -1.181 11.277 -6.698 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -1.048 12.246 -6.722 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -1.302 11.030 -7.637 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 3.458 11.902 -14.380 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 3.276 12.065 -13.424 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 4.425 12.010 -14.461 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -7.769 3.097 -11.465 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -7.752 2.138 -11.454 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.271 3.339 -10.663 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -0.091 6.703 -12.865 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 0.510 7.462 -12.682 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 0.255 6.320 -13.677 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 1.639 8.796 -12.613 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 2.433 8.798 -12.052 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 1.986 8.974 -13.511 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 7.145 15.923 -15.693 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 6.931 15.283 -16.412 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 7.906 16.433 -16.050 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 6.690 18.363 -14.383 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 7.574 18.439 -13.976 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 6.678 17.460 -14.751 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 4.968 11.252 -8.412 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 4.943 11.144 -9.390 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 5.682 11.909 -8.263 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 4.932 15.153 -13.998 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 5.629 15.437 -14.614 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 4.293 15.895 -14.001 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 5.589 6.790 -11.138 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 6.043 5.978 -10.904 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 5.844 7.422 -10.432 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 9.307 15.740 -20.431 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 8.664 15.008 -20.445 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 10.057 15.409 -20.977 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -2.087 14.116 -13.337 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -2.321 13.232 -13.700 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -1.127 14.070 -13.205 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -3.010 16.579 -12.483 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -3.847 16.400 -12.024 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -2.751 15.709 -12.861 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -3.552 13.847 -16.828 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -4.084 13.937 -16.031 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -3.414 12.881 -16.918 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -2.913 11.188 -17.064 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -3.669 10.557 -17.009 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -2.479 10.963 -17.920 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 1.589 13.632 -23.457 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 0.922 12.912 -23.495 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 1.531 14.060 -24.344 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 7.188 14.511 -10.778 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 6.875 15.366 -10.405 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 7.651 14.772 -11.607 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 2.059 7.225 -1.975 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 2.257 7.191 -1.034 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 2.181 8.169 -2.214 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -0.031 9.203 2.108 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -0.610 9.433 1.359 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 0.748 9.771 1.993 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -3.325 7.791 -1.538 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -3.930 7.257 -2.102 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -3.837 7.926 -0.704 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 1.304 15.032 -1.466 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 1.721 14.270 -0.996 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 1.752 15.819 -1.085 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -7.148 4.810 -2.187 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -6.309 5.285 -2.383 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -6.893 3.880 -2.159 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -2.640 4.558 -2.862 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -1.783 5.041 -2.855 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -2.424 3.692 -2.504 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -9.076 6.546 -1.347 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -9.780 6.342 -2.003 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -8.383 5.873 -1.528 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -8.277 10.034 -5.194 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -8.869 9.353 -5.586 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -7.427 9.880 -5.624 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 0.297 12.653 -2.923 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 1.072 13.231 -3.097 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 0.355 11.965 -3.621 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -4.813 8.216 0.688 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -5.769 7.999 0.618 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -4.584 7.972 1.608 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -2.543 2.800 2.503 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -3.041 2.042 2.820 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -1.622 2.534 2.591 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.394 13.156 -5.347 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -8.007 13.915 -5.466 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.917 12.386 -5.617 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 2.358 13.025 0.021 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 3.017 12.697 0.675 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 1.758 12.264 -0.112 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 2.627 13.844 -4.074 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 3.323 13.545 -4.695 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 3.130 14.173 -3.299 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 2.250 9.894 -2.575 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 1.836 10.320 -1.797 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 1.688 10.179 -3.330 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -1.067 7.249 -6.711 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -0.236 6.797 -6.540 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -1.444 7.400 -5.822 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 4.637 9.804 -4.007 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 3.868 9.978 -3.417 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 4.909 8.908 -3.778 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -1.853 9.839 -0.162 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -2.167 9.055 -0.656 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -2.668 10.277 0.129 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 3.965 11.747 1.814 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 4.860 11.532 2.082 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 3.399 11.205 2.408 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 0.847 10.739 -4.853 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 0.090 10.698 -5.478 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 1.632 10.591 -5.420 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -6.369 9.437 4.208 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -5.708 8.797 3.865 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -6.154 10.275 3.738 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -8.195 5.935 -4.502 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -9.117 6.159 -4.266 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -7.848 5.495 -3.708 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 8.329 12.884 -3.535 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 8.143 13.835 -3.366 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 9.089 12.689 -2.974 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -1.138 13.156 5.644 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -2.004 12.746 5.451 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -1.024 13.029 6.617 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 3.287 10.741 -6.330 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 3.912 10.856 -7.084 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 3.852 10.425 -5.598 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -1.480 6.140 -0.080 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -2.193 6.632 -0.525 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -0.874 5.897 -0.806 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -0.328 6.042 -2.636 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 0.600 6.326 -2.473 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -0.680 6.716 -3.256 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.096 5.508 2.190 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -2.532 5.702 1.418 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -2.966 4.547 2.343 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -4.874 6.080 -3.079 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -5.079 6.164 -4.021 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -4.086 5.482 -3.055 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -2.955 10.026 -5.089 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -3.632 9.820 -5.774 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.280 10.548 -5.575 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -5.004 7.602 11.976 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -4.591 8.142 12.685 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -4.536 7.885 11.163 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -1.887 7.803 -4.045 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.333 7.785 -3.179 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.205 8.640 -4.458 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 1.641 12.637 -7.394 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 1.147 12.919 -6.612 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 2.260 11.953 -7.052 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 1.165 11.548 5.578 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 0.616 10.867 6.021 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 0.560 12.305 5.472 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -9.145 7.555 3.008 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -9.091 8.353 3.564 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -9.141 6.826 3.642 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 0.545 8.210 4.668 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 0.621 7.300 4.327 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 0.154 8.708 3.923 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 4.156 12.896 9.638 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 3.542 12.334 9.107 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 4.874 13.093 9.031 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 5.038 13.488 -5.452 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 5.631 12.716 -5.375 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 5.651 14.258 -5.489 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -0.147 9.566 6.950 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 0.462 9.245 7.653 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 0.032 8.969 6.187 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -9.227 4.342 -9.342 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -10.175 4.169 -9.351 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -9.078 4.817 -8.486 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 2.398 10.239 3.491 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 2.049 10.836 4.190 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 2.215 9.350 3.831 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 0.549 15.860 7.378 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 0.595 14.959 7.732 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 1.422 16.255 7.610 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 9.113 15.873 -6.969 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 9.414 15.920 -7.913 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 9.092 14.905 -6.777 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 6.733 11.264 -5.109 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 7.269 11.670 -4.396 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 6.055 10.740 -4.633 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -4.445 9.442 -7.290 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -3.830 9.010 -7.916 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -5.311 9.413 -7.745 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 4.232 15.086 -2.260 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 4.730 14.368 -1.852 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 4.517 15.884 -1.769 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 3.053 13.913 11.869 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 3.475 13.650 11.010 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 3.667 13.589 12.538 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -3.779 9.971 6.249 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -3.714 10.804 5.743 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -3.328 9.322 5.695 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -3.362 8.087 9.716 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -4.068 7.796 9.092 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -2.672 7.418 9.622 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 0.514 11.103 -0.697 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 0.310 11.714 -1.439 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -0.332 10.632 -0.535 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -4.665 7.393 3.440 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -5.153 6.907 4.126 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -4.023 6.731 3.088 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -2.361 8.277 -8.879 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -2.259 7.595 -9.577 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -1.866 7.906 -8.108 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 5.225 10.779 -11.106 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 4.824 10.104 -11.702 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 5.455 11.519 -11.707 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 0.311 6.489 2.401 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -0.227 6.057 1.723 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 0.178 7.442 2.238 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -5.496 7.193 8.283 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -5.813 6.392 8.749 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.800 7.068 7.356 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 8.164 10.694 -7.566 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 7.579 10.652 -6.787 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 7.845 9.986 -8.143 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -6.361 5.019 9.985 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -6.916 4.289 9.690 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -6.753 5.289 10.841 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -7.543 7.666 0.713 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -8.054 7.160 0.047 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -7.967 7.433 1.567 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 1.165 17.509 10.137 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 1.721 17.467 10.940 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.806 17.419 9.399 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -0.779 18.220 8.257 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -0.445 17.437 7.783 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -0.209 18.277 9.047 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -0.851 15.802 5.064 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -0.974 14.832 5.105 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -0.302 16.004 5.849 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 2.399 17.358 -0.591 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 2.150 18.289 -0.394 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 3.378 17.366 -0.584 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 6.677 15.688 -5.559 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 7.066 15.754 -4.668 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 7.427 15.856 -6.161 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -3.911 4.946 14.608 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -3.933 4.695 13.661 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -4.848 4.965 14.871 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -6.097 9.452 16.876 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -5.635 9.809 16.098 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.377 10.233 17.362 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -4.553 11.038 15.094 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -3.777 11.251 15.630 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -4.254 10.279 14.530 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -6.699 5.164 15.114 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -6.846 5.883 15.776 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -6.992 4.366 15.566 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -7.751 6.851 25.054 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -6.873 6.626 25.368 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -8.334 6.586 25.767 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -10.075 12.352 22.310 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -9.728 11.481 22.522 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -11.017 12.188 22.077 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -3.272 15.073 11.634 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.304 15.235 11.671 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -3.403 14.270 12.179 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 0.627 11.380 12.116 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 0.527 12.175 11.552 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 1.577 11.250 12.172 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 2.623 -0.060 11.035 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 2.058 -0.066 11.837 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 2.269 -0.767 10.490 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.414 0.541 13.435 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 2.113 1.225 13.347 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 0.849 0.869 14.137 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -2.108 6.968 14.750 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -2.762 6.229 14.735 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -1.335 6.588 15.173 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 1.534 8.842 8.944 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 0.866 8.494 9.581 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 2.286 8.249 9.044 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -6.865 12.389 15.894 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -6.542 13.252 16.238 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -6.073 11.975 15.500 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -5.950 14.798 16.759 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -5.487 14.944 17.619 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -5.284 15.054 16.086 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -8.950 16.909 22.337 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -9.497 16.300 22.876 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -8.589 16.329 21.620 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -0.724 12.780 8.352 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -1.157 11.962 8.678 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -0.169 13.070 9.106 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -1.566 9.849 11.821 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -0.787 10.406 12.059 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -1.796 10.137 10.916 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -0.245 7.685 10.710 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -0.286 6.938 11.317 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -0.758 8.390 11.162 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -4.298 13.119 13.285 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -5.089 13.217 12.707 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -4.454 12.279 13.763 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 3.549 2.046 12.553 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 3.367 1.389 11.847 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 4.483 2.245 12.456 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -0.660 16.014 11.583 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -0.183 16.548 10.911 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -0.508 16.502 12.424 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -1.825 10.334 9.057 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -2.494 9.626 9.153 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -1.313 10.071 8.263 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 2.569 11.360 8.064 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 2.158 10.532 8.376 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 2.186 11.497 7.177 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -3.401 9.065 13.681 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -2.746 9.392 13.021 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -2.932 8.320 14.134 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -8.115 15.373 20.299 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -7.873 15.803 19.459 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -8.024 14.416 20.112 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -7.884 16.495 17.782 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -8.804 16.317 17.551 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -7.374 15.820 17.286 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -8.266 12.765 19.365 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.978 11.897 19.667 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -8.631 12.601 18.468 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 0.566 13.709 10.646 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 1.479 13.873 10.961 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 0.058 14.477 10.978 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -9.464 32.611 -28.198 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -10.323 32.434 -28.647 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -8.799 32.194 -28.789 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 3.267 25.133 -17.553 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 3.461 26.076 -17.403 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 3.466 24.711 -16.691 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 3.157 24.869 -12.808 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 3.699 25.680 -12.674 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 2.947 24.564 -11.892 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -5.276 26.614 -14.596 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.689 25.920 -14.044 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.783 26.107 -15.287 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 4.272 27.579 -16.508 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 4.548 28.269 -17.124 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 3.911 28.071 -15.744 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 0.777 28.462 -14.336 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 0.700 29.003 -13.524 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 1.703 28.576 -14.609 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 10.711 21.672 -17.985 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 11.242 21.704 -18.811 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 11.163 22.306 -17.387 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.669 19.457 -17.171 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -4.051 18.687 -17.609 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -4.199 20.216 -17.515 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 2.904 21.103 -20.183 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 1.962 21.305 -20.165 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 3.334 21.929 -19.868 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -2.443 23.493 -14.376 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -1.543 23.445 -14.031 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -2.942 22.853 -13.830 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 10.650 20.560 -13.491 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 10.612 21.535 -13.603 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 10.744 20.437 -12.517 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -4.235 19.150 -11.672 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -4.917 18.500 -11.385 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -3.732 18.673 -12.350 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -0.946 26.475 -13.747 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -1.800 26.947 -13.834 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -0.276 27.146 -14.024 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 8.430 20.259 -18.507 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 8.829 19.433 -18.847 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 9.201 20.845 -18.344 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -2.442 20.012 -14.685 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -2.984 20.627 -14.147 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.008 19.803 -15.458 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -2.063 29.182 -11.505 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -2.417 28.886 -12.372 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -2.297 28.452 -10.892 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 3.475 29.334 -14.398 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 3.010 30.078 -13.962 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 4.417 29.643 -14.448 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 7.231 23.184 -22.479 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 7.524 23.892 -23.094 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 6.840 22.521 -23.055 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -3.685 25.072 -16.195 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -3.138 24.959 -16.978 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -3.258 24.494 -15.518 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 2.400 31.474 -12.922 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 1.738 30.906 -12.458 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 1.894 32.248 -13.199 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -2.736 27.003 -9.979 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -2.473 26.266 -10.573 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -3.617 26.722 -9.626 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -6.769 22.907 -9.006 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -5.838 23.110 -8.782 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -7.063 23.690 -9.518 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.725 30.293 -13.289 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -7.758 31.000 -13.983 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.003 30.566 -12.713 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -7.608 28.115 -15.025 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.586 28.936 -14.497 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.689 27.780 -14.989 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 7.603 27.285 -10.869 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 7.470 26.932 -11.772 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 6.904 27.972 -10.777 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -1.145 27.534 -7.841 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -1.718 27.483 -7.041 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -1.769 27.386 -8.594 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -7.220 25.221 -10.427 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -6.845 25.145 -11.325 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -6.506 25.654 -9.905 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -1.075 18.452 -12.885 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -1.499 19.048 -13.544 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -1.736 17.737 -12.748 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -3.714 21.653 -12.754 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -3.981 20.848 -12.261 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -4.001 22.392 -12.176 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 0.736 23.246 -16.753 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 1.400 23.698 -17.292 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 0.700 23.771 -15.927 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -6.383 24.527 -12.968 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -5.534 24.276 -12.534 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -6.961 23.735 -12.833 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 0.094 20.720 -15.838 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -0.873 20.591 -15.762 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 0.190 21.580 -16.312 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 3.858 23.891 -15.241 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.573 24.163 -14.336 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 3.361 23.068 -15.412 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -5.348 21.429 -18.148 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -5.433 22.275 -17.696 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -6.031 21.462 -18.852 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 0.313 21.965 -13.396 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 0.261 21.441 -14.221 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 0.613 22.849 -13.692 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 2.336 24.131 -10.322 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.746 24.772 -9.887 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 1.978 23.263 -10.050 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -9.894 25.265 -11.470 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -9.050 25.205 -10.975 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -9.612 25.430 -12.398 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -1.552 23.693 -8.432 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.505 23.757 -8.671 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.548 23.780 -7.450 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 0.611 29.720 -11.899 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -0.340 29.644 -11.661 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 1.052 29.023 -11.351 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 0.872 24.486 -14.293 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 1.649 24.767 -13.760 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 0.223 25.213 -14.171 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 4.857 31.321 -11.696 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 5.065 32.232 -11.461 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 3.976 31.380 -12.131 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -5.429 19.548 -8.219 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -4.962 20.272 -7.749 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -5.709 19.947 -9.051 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -7.542 32.342 -15.054 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -7.133 32.681 -15.854 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -8.150 33.067 -14.767 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 3.876 18.943 -18.944 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 3.556 19.641 -19.562 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 3.098 18.771 -18.362 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 1.462 18.927 -17.624 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 1.321 19.723 -17.081 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 0.581 18.494 -17.639 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 3.357 16.750 -20.819 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 3.122 17.343 -21.544 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 3.611 17.352 -20.092 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -1.171 18.070 -17.307 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -1.645 17.289 -17.669 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -1.870 18.742 -17.205 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -9.600 31.514 -10.060 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -9.060 31.605 -9.245 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -9.137 30.845 -10.576 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -2.855 31.014 -9.589 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -2.640 30.500 -10.394 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -2.041 30.962 -9.051 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 4.589 27.217 -12.791 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 4.085 27.849 -13.337 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 4.815 27.729 -11.981 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -1.412 25.719 -3.594 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -0.605 26.242 -3.398 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -2.121 26.175 -3.085 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -4.240 23.959 -11.322 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -4.329 24.010 -10.340 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -3.341 24.320 -11.498 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 0.205 25.585 -9.335 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -0.161 26.320 -8.803 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -0.330 24.804 -9.059 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -2.691 18.507 -9.433 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -1.872 18.243 -9.899 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -3.218 18.970 -10.118 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -1.750 25.020 -11.588 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -0.908 24.871 -11.131 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -1.492 25.465 -12.428 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -4.257 21.497 -6.635 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -4.178 22.283 -7.200 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -3.935 21.803 -5.754 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 0.241 20.305 -11.251 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -0.214 19.543 -11.658 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 0.290 20.968 -11.978 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -6.924 19.208 -5.866 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.123 19.072 -5.326 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -6.578 19.374 -6.764 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -10.240 34.762 -18.607 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -10.312 34.092 -19.324 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -10.327 34.247 -17.795 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 7.093 26.332 -13.431 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 6.995 25.800 -14.253 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 6.167 26.571 -13.195 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 11.266 19.560 -21.332 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 10.969 19.866 -22.196 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 11.662 20.357 -20.918 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 6.085 25.484 -15.839 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 5.591 26.271 -16.134 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 5.389 24.844 -15.595 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 5.963 30.252 -14.137 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 6.004 30.644 -13.251 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 6.852 29.847 -14.265 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 6.996 23.123 -19.747 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 7.020 23.110 -20.734 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 7.842 23.510 -19.498 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 7.942 24.855 -24.557 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 8.793 25.165 -24.886 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 7.296 25.288 -25.124 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -9.105 21.705 -9.550 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -8.254 22.039 -9.180 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -9.290 20.895 -9.033 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 9.633 15.929 -9.577 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 9.450 15.190 -10.171 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 9.423 16.723 -10.112 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 8.919 18.086 -11.079 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 9.460 18.848 -10.792 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 9.047 18.057 -12.047 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -3.115 28.173 -13.848 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.071 28.758 -14.614 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -3.921 27.629 -14.007 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 8.285 15.512 -13.061 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 7.892 15.370 -13.938 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 8.821 16.312 -13.170 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 9.311 17.541 -16.621 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 9.918 18.295 -16.458 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 9.372 17.397 -17.583 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 9.990 18.119 -19.378 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 9.736 17.234 -19.750 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 10.352 18.606 -20.153 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -7.387 21.495 -20.090 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -7.998 20.752 -20.125 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -7.540 21.968 -20.916 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -1.440 15.019 -20.628 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -1.600 15.829 -21.126 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -0.461 14.891 -20.683 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 7.447 13.675 -20.534 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 7.469 13.583 -21.519 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 7.414 12.764 -20.214 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 7.250 13.303 -23.204 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 6.496 12.898 -23.651 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 7.851 13.543 -23.919 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -1.947 18.583 -6.805 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -1.534 19.432 -6.516 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -2.200 18.744 -7.742 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 5.319 28.790 -10.704 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 5.143 29.728 -10.943 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 4.793 28.647 -9.884 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 0.541 25.562 -0.564 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 0.720 25.950 -1.440 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -0.019 26.239 -0.116 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -0.153 22.885 -0.287 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -0.282 22.725 -1.240 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 0.079 23.834 -0.237 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 2.493 21.911 1.601 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 2.612 22.788 1.173 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 1.598 21.963 2.010 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 1.624 19.919 -0.112 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 1.909 20.617 0.517 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 1.400 20.409 -0.927 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 1.161 21.013 -2.667 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 1.980 21.517 -2.464 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 0.549 21.695 -3.026 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 0.943 27.052 -3.021 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 1.613 27.301 -3.700 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 0.718 27.909 -2.583 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 5.105 17.356 -0.952 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 5.085 18.100 -1.604 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 5.822 17.590 -0.348 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 8.090 15.639 -3.138 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 8.815 16.148 -3.563 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 7.665 16.279 -2.551 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -1.753 23.999 -5.744 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -2.285 23.325 -5.255 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -1.549 24.669 -5.068 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 2.719 20.800 -8.025 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 2.827 21.223 -7.146 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 2.141 21.421 -8.523 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 5.131 21.907 -3.571 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 4.458 22.340 -3.000 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 5.981 22.255 -3.238 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -5.285 29.520 8.268 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -5.245 29.411 9.236 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -4.787 30.348 8.099 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.493 23.121 -3.020 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.708 24.043 -3.251 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -1.370 22.663 -3.022 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 0.067 29.406 -1.976 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -0.691 29.605 -2.568 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 0.487 30.278 -1.830 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 4.327 18.788 -7.096 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.154 19.154 -6.708 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 3.915 19.554 -7.546 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 7.479 26.405 -8.286 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 7.417 26.718 -9.214 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 8.403 26.596 -8.032 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -6.076 27.338 6.641 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -5.555 27.841 7.292 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -6.252 26.475 7.086 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 0.702 32.146 -2.213 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 0.700 33.013 -1.740 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 1.242 32.306 -2.995 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -4.205 18.922 -5.327 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -4.284 19.822 -5.689 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -3.363 18.596 -5.692 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -1.061 19.588 -1.778 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -0.232 19.912 -2.180 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.697 20.339 -1.906 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 1.530 25.991 8.976 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 2.221 26.432 8.438 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 1.969 25.180 9.307 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 3.068 22.851 -2.106 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 3.098 23.283 -1.225 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 2.811 23.583 -2.723 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -1.007 20.852 -5.602 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -0.629 21.643 -6.003 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -1.726 21.198 -5.027 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -1.664 23.950 3.657 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -1.351 24.861 3.657 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -1.774 23.735 4.592 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 2.101 17.604 4.648 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 2.287 16.712 4.957 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 2.317 18.172 5.411 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -1.012 27.704 0.001 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -0.674 28.403 -0.591 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -1.843 27.398 -0.435 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 1.290 18.494 -8.092 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 1.737 19.367 -8.144 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 0.659 18.504 -8.835 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -0.177 22.061 2.269 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -0.286 22.309 1.323 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -0.760 22.684 2.749 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 3.130 21.289 -5.361 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 4.004 21.453 -4.942 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 2.542 21.921 -4.929 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 2.386 24.838 -3.737 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 2.851 25.352 -4.418 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 1.731 25.464 -3.379 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 3.655 27.087 7.563 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 4.166 26.980 6.756 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 4.071 27.831 8.013 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 7.073 22.609 -6.023 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 7.945 22.542 -5.575 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 6.697 21.709 -5.949 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 5.314 26.801 -6.592 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 6.027 26.757 -7.265 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 5.657 26.249 -5.855 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 5.041 21.487 -0.184 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 4.554 20.810 -0.668 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 4.510 21.638 0.613 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -3.227 34.055 3.510 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -2.866 34.834 3.048 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -3.964 33.755 2.933 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 2.827 24.320 0.221 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 3.369 25.034 0.573 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 1.985 24.764 -0.040 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 1.435 28.555 -7.155 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 0.637 28.061 -7.426 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 1.151 29.485 -7.172 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 2.813 27.225 -5.158 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 2.302 27.679 -5.859 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 3.722 27.181 -5.517 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -0.890 30.283 -7.772 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -0.945 29.326 -7.942 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -1.583 30.446 -7.098 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -2.224 30.002 -3.319 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -2.470 30.650 -2.629 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.776 29.205 -3.116 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 3.135 19.438 6.536 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 3.361 19.800 5.648 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 2.882 20.213 7.049 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -2.981 30.153 -6.007 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -3.122 29.187 -6.032 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -2.647 30.320 -5.100 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -3.001 17.389 -1.465 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -2.481 18.211 -1.524 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -3.712 17.513 -2.104 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 3.212 20.141 3.874 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 3.022 20.696 3.100 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 2.832 19.274 3.649 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -2.603 27.435 -5.476 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.109 26.638 -5.228 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -3.135 27.641 -4.670 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 7.089 22.582 -1.662 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 7.285 23.424 -1.239 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 6.414 22.168 -1.074 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -4.150 32.056 8.039 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -4.417 32.405 7.157 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -3.232 32.389 8.158 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 3.797 28.034 -8.530 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 3.036 28.339 -7.997 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 4.344 27.522 -7.894 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -1.033 25.793 9.877 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -0.108 25.961 9.573 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -1.547 26.494 9.462 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 1.761 27.734 -10.470 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 2.569 27.751 -9.921 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 1.303 26.921 -10.195 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 0.720 22.140 -9.323 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -0.151 22.497 -9.069 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 0.510 21.447 -9.995 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 2.902 17.122 8.025 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 3.068 17.947 7.517 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 3.779 16.915 8.433 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 5.319 16.871 9.229 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 6.246 17.009 9.024 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 5.267 16.990 10.205 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 5.132 17.280 11.902 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 5.443 17.669 12.723 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 4.190 17.060 12.082 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -4.968 31.204 -7.914 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -4.477 31.065 -7.080 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -4.265 31.187 -8.608 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 9.556 25.634 -5.482 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 9.789 25.860 -6.407 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 9.834 26.404 -4.975 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 6.789 25.160 -4.990 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 7.747 25.334 -5.026 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 6.705 24.232 -5.288 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 7.895 23.631 -8.392 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 7.500 23.295 -7.556 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 7.625 24.573 -8.419 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 8.816 21.071 -3.141 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 9.220 21.709 -3.768 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 8.286 21.634 -2.538 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 8.426 21.009 -9.375 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 8.102 21.853 -9.004 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 8.331 20.372 -8.644 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 14.076 22.340 -4.787 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 15.017 22.483 -4.930 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 13.980 22.326 -3.827 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 6.607 19.833 -6.025 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 6.866 19.484 -5.150 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 7.331 19.540 -6.622 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 8.679 18.831 -7.471 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 8.706 17.860 -7.517 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 9.562 19.076 -7.120 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -9.653 34.823 5.812 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -9.804 35.792 5.893 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -10.518 34.424 6.091 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -3.985 31.273 0.454 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -3.659 30.426 0.774 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -3.321 31.550 -0.211 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -1.933 31.992 -1.245 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -1.078 32.012 -1.722 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -1.792 32.594 -0.483 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 5.133 19.341 -2.742 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 6.007 19.051 -3.088 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 5.050 20.267 -3.057 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 7.618 18.751 -3.655 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 8.082 19.580 -3.368 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 8.332 18.204 -4.046 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -5.651 28.536 -7.524 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -5.336 29.367 -7.919 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -5.311 27.835 -8.124 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 2.529 16.659 12.421 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 2.519 15.682 12.369 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 1.758 16.881 12.985 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -7.341 25.870 18.382 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -6.744 25.674 19.126 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -8.231 25.643 18.730 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -7.320 28.623 18.711 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -7.222 27.689 18.440 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -7.885 28.577 19.511 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -3.275 21.372 15.122 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -3.971 21.713 14.520 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.581 21.635 16.007 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.718 25.962 12.951 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -4.860 26.851 13.332 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -5.610 25.568 12.923 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -1.225 16.195 19.619 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -1.895 16.063 20.299 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -1.724 16.148 18.781 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -2.420 16.122 17.096 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -2.951 15.782 16.346 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -1.544 16.305 16.703 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -9.237 29.497 16.693 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -9.182 28.553 16.403 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -8.768 29.508 17.546 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 3.373 22.181 11.946 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 3.891 21.910 12.706 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 2.456 21.879 12.158 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -5.084 28.500 13.989 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -5.884 28.967 14.305 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -4.459 28.586 14.718 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.535 25.543 21.108 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -7.409 25.766 21.487 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -5.908 26.007 21.677 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -7.158 24.580 12.740 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -6.766 24.054 12.011 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -7.787 25.185 12.287 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -9.043 27.990 20.769 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -8.906 27.511 21.614 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -9.287 28.904 21.048 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -5.353 29.884 17.256 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -6.033 29.463 17.829 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -4.638 30.103 17.860 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 1.195 16.719 18.497 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 1.871 16.880 19.161 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 0.370 16.584 19.020 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.660 20.206 7.593 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -1.875 19.649 7.784 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.595 20.943 8.240 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -4.633 22.579 17.440 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -4.838 22.808 18.369 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -4.820 23.386 16.951 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -5.341 22.481 13.682 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -5.833 23.301 13.818 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -5.310 22.383 12.712 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -5.759 23.051 20.066 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -6.024 22.473 20.813 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -5.966 23.953 20.380 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -5.522 23.020 10.952 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -5.345 22.445 10.201 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -4.744 23.626 10.979 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -0.021 23.210 10.402 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -0.374 24.118 10.313 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 0.914 23.288 10.125 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -3.928 15.255 14.914 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -4.002 14.425 14.388 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -3.762 15.938 14.251 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 0.808 21.527 12.475 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 0.315 22.092 11.845 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 0.121 20.975 12.889 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -8.720 26.909 16.139 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -9.022 26.146 15.605 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -8.072 26.526 16.757 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -8.699 26.349 22.958 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -9.304 26.727 23.633 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -8.574 25.421 23.245 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -7.744 33.054 11.724 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -6.900 32.862 11.246 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -7.752 34.016 11.809 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -8.940 26.226 11.421 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -9.315 27.059 11.792 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -9.725 25.670 11.236 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.457 22.234 9.534 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -1.506 22.326 9.745 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.871 22.986 9.996 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 0.143 17.533 13.711 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -0.184 18.452 13.825 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 0.125 17.158 14.619 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -5.477 29.314 11.102 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -6.184 29.626 11.710 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -4.882 28.805 11.678 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -4.457 15.658 18.865 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -3.724 15.981 18.307 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -4.905 16.478 19.174 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -7.504 30.448 12.511 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -7.358 30.366 13.485 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -7.619 31.412 12.368 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -3.269 24.536 11.054 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -3.645 25.112 11.761 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -2.449 24.994 10.782 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -6.497 26.656 10.185 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -7.401 26.588 10.553 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -6.244 27.577 10.340 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 2.684 23.618 9.756 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 3.367 23.369 9.126 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 2.975 23.200 10.603 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -7.943 30.663 9.511 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -7.415 30.365 10.265 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -8.344 31.489 9.815 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -7.053 30.127 15.145 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -6.386 30.221 15.862 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -7.898 29.997 15.624 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -6.119 20.554 18.611 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -5.569 20.888 17.880 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -6.170 21.302 19.224 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -7.160 18.809 21.444 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -7.670 18.090 21.867 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -6.653 18.359 20.736 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 0.206 16.146 16.066 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 0.614 16.500 16.896 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 0.470 15.219 16.053 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -12.759 31.215 16.091 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -12.723 32.197 16.188 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -12.314 30.881 16.880 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -0.888 20.173 14.296 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -0.385 20.682 14.941 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -1.820 20.460 14.443 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -5.455 32.209 10.498 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -5.114 31.357 10.807 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -5.047 32.323 9.613 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -7.211 44.418 -32.562 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -7.262 44.656 -33.493 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -6.268 44.383 -32.375 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -9.304 39.722 -32.301 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -10.039 39.955 -31.688 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -8.836 40.551 -32.433 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -12.607 37.648 -31.350 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -11.852 37.249 -31.825 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -13.213 36.904 -31.197 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -9.095 43.908 -24.511 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -9.250 44.710 -23.960 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -8.746 44.257 -25.345 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -10.310 46.068 -23.410 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -10.860 46.439 -22.699 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -10.686 46.450 -24.227 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -9.727 38.931 -20.007 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -9.285 39.271 -20.814 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -10.030 39.728 -19.552 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -12.144 40.623 -25.905 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -11.226 40.908 -25.715 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -12.557 40.547 -25.029 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -8.966 43.313 -27.735 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -8.416 43.593 -28.480 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -9.879 43.507 -28.029 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -9.496 41.504 -25.740 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -9.307 41.904 -26.618 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -9.313 42.234 -25.109 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -8.145 39.291 -24.785 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -7.507 39.043 -25.462 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -8.692 39.986 -25.213 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -10.762 42.519 -18.798 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -10.367 42.419 -17.904 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -10.553 43.444 -19.052 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -8.570 40.220 -22.222 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -8.442 39.693 -23.043 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -7.826 40.832 -22.217 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -10.837 36.633 -14.820 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -10.341 36.835 -15.646 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -11.481 37.366 -14.747 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -5.686 33.704 -9.038 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -4.851 33.934 -9.457 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -5.495 32.872 -8.568 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -9.728 37.330 -2.626 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -9.524 36.524 -3.154 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -9.377 37.132 -1.749 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.046 40.566 1.376 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -6.507 41.339 1.626 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -6.936 39.954 2.123 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -5.287 33.217 1.921 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -4.823 32.485 1.455 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -5.909 33.570 1.249 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -3.824 38.180 2.640 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -4.484 37.508 2.920 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -4.149 39.003 3.032 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -1.360 33.564 1.005 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -1.290 33.104 1.853 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -1.767 34.428 1.237 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -2.161 36.063 1.816 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -1.463 36.436 1.237 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -2.652 36.848 2.132 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -6.475 39.302 3.892 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -6.341 38.334 3.818 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -7.270 39.391 4.465 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -12.274 37.667 -3.782 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -12.150 38.585 -4.057 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -11.485 37.474 -3.241 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -7.762 35.148 -7.930 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -8.565 35.077 -8.491 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -7.059 34.711 -8.455 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.236 39.031 0.497 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -2.834 38.750 1.219 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.574 39.893 0.233 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -0.327 37.158 -0.044 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 0.499 37.652 -0.031 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -1.025 37.855 -0.023 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -8.764 39.684 5.419 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -9.610 39.948 4.982 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -8.700 40.273 6.180 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.769 34.163 -0.182 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -7.625 33.961 -0.607 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.222 34.501 -0.898 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -4.745 33.143 5.606 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -5.431 33.834 5.528 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -4.052 33.420 4.963 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -5.924 36.569 3.529 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -6.174 36.098 4.355 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -6.065 35.911 2.833 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -1.706 33.273 8.292 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -1.460 33.988 8.888 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -1.001 33.254 7.637 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -6.869 35.044 5.681 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -6.799 35.110 6.642 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -7.831 34.913 5.523 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -5.462 41.867 3.207 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -5.258 42.464 3.931 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -5.742 41.042 3.644 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -9.346 40.246 -0.040 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -8.513 40.306 0.489 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -9.185 40.844 -0.801 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -8.336 33.375 -6.007 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -8.656 33.848 -5.221 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -8.109 34.095 -6.641 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -9.563 34.811 -3.782 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -9.507 34.144 -3.075 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -10.466 34.700 -4.150 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -7.898 31.284 -7.777 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -6.925 31.328 -7.856 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -8.121 32.015 -7.152 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 0.328 34.521 -0.919 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -0.178 34.142 -0.172 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 0.166 35.481 -0.849 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -9.712 36.761 -11.308 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -8.799 36.878 -11.588 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -10.145 37.612 -11.538 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -6.510 31.115 4.879 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -6.518 31.275 3.931 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -5.827 31.730 5.218 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -10.461 36.360 8.879 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -10.346 36.783 8.005 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -10.112 35.460 8.756 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -12.742 33.916 16.160 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -12.726 34.856 16.390 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -12.710 33.905 15.179 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 6.586 13.430 -8.171 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 6.929 13.751 -9.028 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 7.376 13.400 -7.592 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 8.742 13.204 -6.474 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 8.627 12.961 -5.538 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 8.814 12.340 -6.938 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 6.133 8.816 -9.368 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 6.101 9.472 -10.095 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 5.498 9.154 -8.720 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 12.401 21.796 -20.159 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 13.157 21.419 -19.643 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 12.809 22.469 -20.715 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 12.725 17.193 -21.183 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 12.258 18.035 -21.352 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 13.232 17.359 -20.381 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 14.353 20.647 -18.705 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 15.217 20.401 -18.361 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 13.790 19.855 -18.533 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 9.833 25.804 -13.350 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 10.014 26.298 -14.181 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 8.857 25.814 -13.278 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 12.040 23.051 -16.057 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 11.433 23.142 -15.283 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 12.857 22.705 -15.677 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 8.192 28.705 -14.357 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 7.815 27.872 -14.017 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 8.976 28.423 -14.858 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 12.269 21.697 -8.928 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 11.596 22.403 -9.107 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 13.068 22.021 -9.356 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 11.464 14.884 -21.894 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 11.951 15.720 -21.703 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 12.136 14.296 -22.246 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 9.819 26.910 -15.859 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 10.583 26.514 -16.339 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 9.079 26.799 -16.467 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 10.317 23.225 -13.979 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 9.341 23.135 -13.986 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 10.463 24.141 -13.655 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 10.946 19.662 -16.076 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 10.833 20.421 -16.688 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 10.935 20.070 -15.182 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 10.030 26.041 -10.640 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 10.241 25.936 -11.593 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 9.194 26.558 -10.641 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 10.468 23.624 -9.407 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 10.402 24.458 -9.916 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 9.568 23.499 -9.038 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 11.648 25.487 -17.304 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 12.294 25.560 -18.011 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 11.837 24.620 -16.892 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 10.602 20.304 -10.762 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 9.788 20.658 -10.326 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 11.322 20.551 -10.150 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 12.535 18.692 -18.218 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 11.735 18.388 -18.685 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 12.232 18.840 -17.304 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 4.336 23.147 -19.087 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 3.925 23.937 -18.663 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 5.189 23.479 -19.441 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 9.370 18.134 -13.792 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 9.884 18.971 -13.720 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 9.583 17.801 -14.685 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 11.108 19.181 -6.101 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 11.221 20.156 -6.014 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 11.998 18.858 -6.283 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 9.592 22.894 -4.995 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 10.400 22.552 -5.440 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 9.658 23.868 -5.096 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 11.779 21.825 -6.199 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 12.625 22.061 -5.752 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 12.002 21.829 -7.155 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 10.222 26.736 -7.964 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 10.311 26.357 -8.867 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 10.833 27.482 -7.963 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 9.635 17.282 -4.726 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 9.561 16.724 -5.535 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 10.262 17.992 -4.985 1.00 0.00 WAT1 END