REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1146.2, 64.7994, 73.0321, 38.5015, 390.583, -358.81, -1358.45, 3.25574, 0.883182 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.840071E-03,0.437775,1.22751,41.9922,5.177573E-03,0.386587 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 24, 8 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:03 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.178 -0.509 -6.897 1.00 23.31 ATOM 2 CB MET 1 4.192 -1.138 -6.504 1.00 65.34 ATOM 3 HB1 MET 1 4.409 -1.349 -7.543 1.00 38.50 ATOM 4 HB2 MET 1 3.853 -2.047 -6.027 1.00 0.01 ATOM 5 CG MET 1 5.484 -0.700 -5.827 1.00 60.41 ATOM 6 HG1 MET 1 5.275 -0.489 -4.788 1.00 38.50 ATOM 7 HG2 MET 1 5.843 0.198 -6.308 1.00 53.53 ATOM 8 SD MET 1 6.779 -1.953 -5.908 1.00 63.00 ATOM 9 CE MET 1 7.059 -2.060 -7.677 1.00 63.30 ATOM 10 HE1 MET 1 7.347 -1.090 -8.055 1.00 74.22 ATOM 11 HE2 MET 1 6.152 -2.383 -8.167 1.00 12.32 ATOM 12 HE3 MET 1 7.846 -2.772 -7.874 1.00 31.55 ATOM 13 C MET 1 2.743 0.243 -4.971 1.00 54.01 ATOM 14 O MET 1 3.266 1.216 -4.426 1.00 30.53 ATOM 15 N MET 1 3.444 1.125 -7.202 1.00 20.15 ATOM 16 HT1 MET 1 4.270 1.584 -6.770 1.00 38.50 ATOM 17 HT2 MET 1 2.654 1.803 -7.210 1.00 38.50 ATOM 18 HT3 MET 1 3.677 0.873 -8.187 1.00 38.50 ATOM 19 CA MET 1 3.065 -0.095 -6.438 1.00 51.20 ATOM 20 N GLY 2 1.877 -0.559 -4.347 1.00 60.01 ATOM 21 HN GLY 2 1.469 -1.301 -4.847 1.00 38.50 ATOM 22 CA GLY 2 1.513 -0.354 -2.943 1.00 43.45 ATOM 23 HA1 GLY 2 0.475 -0.059 -2.893 1.00 38.50 ATOM 24 HA2 GLY 2 2.119 0.443 -2.531 1.00 11.31 ATOM 25 C GLY 2 1.705 -1.610 -2.094 1.00 72.34 ATOM 26 O GLY 2 1.168 -2.674 -2.413 1.00 11.23 ATOM 27 N HIS 3 2.470 -1.485 -1.006 1.00 21.13 ATOM 28 HN HIS 3 2.845 -0.604 -0.792 1.00 38.50 ATOM 29 CA HIS 3 2.777 -2.626 -0.129 1.00 20.52 ATOM 30 HA HIS 3 3.056 -3.456 -0.763 1.00 44.41 ATOM 31 CB HIS 3 3.966 -2.283 0.780 1.00 11.01 ATOM 32 HB1 HIS 3 3.703 -1.439 1.402 1.00 38.50 ATOM 33 HB2 HIS 3 4.813 -2.016 0.165 1.00 55.15 ATOM 34 CG HIS 3 4.394 -3.406 1.681 1.00 0.31 ATOM 35 ND1 HIS 3 4.252 -3.371 3.054 1.00 11.45 ATOM 36 HD1 HIS 3 3.874 -2.630 3.577 1.00 22.14 ATOM 37 CD2 HIS 3 4.968 -4.602 1.402 1.00 14.22 ATOM 38 HD2 HIS 3 5.230 -4.975 0.421 1.00 33.43 ATOM 39 CE1 HIS 3 4.719 -4.488 3.574 1.00 61.13 ATOM 40 HE1 HIS 3 4.736 -4.737 4.625 1.00 21.11 ATOM 41 NE2 HIS 3 5.156 -5.251 2.598 1.00 74.34 ATOM 42 HE2 HIS 3 5.462 -6.178 2.703 1.00 38.50 ATOM 43 C HIS 3 1.563 -3.048 0.719 1.00 33.25 ATOM 44 O HIS 3 1.412 -4.225 1.057 1.00 1.13 ATOM 45 N HIS 4 0.708 -2.092 1.079 1.00 1.30 ATOM 46 HN HIS 4 0.895 -1.162 0.827 1.00 38.50 ATOM 47 CA HIS 4 -0.506 -2.407 1.836 1.00 61.10 ATOM 48 HA HIS 4 -0.224 -3.104 2.616 1.00 71.34 ATOM 49 CB HIS 4 -1.094 -1.150 2.495 1.00 60.32 ATOM 50 HB1 HIS 4 -2.083 -1.373 2.864 1.00 38.50 ATOM 51 HB2 HIS 4 -1.159 -0.362 1.759 1.00 44.14 ATOM 52 CG HIS 4 -0.281 -0.635 3.646 1.00 53.32 ATOM 53 ND1 HIS 4 0.121 0.676 3.765 1.00 52.23 ATOM 54 HD1 HIS 4 -0.068 1.396 3.123 1.00 64.33 ATOM 55 CD2 HIS 4 0.184 -1.266 4.751 1.00 21.00 ATOM 56 HD2 HIS 4 0.059 -2.312 4.991 1.00 51.30 ATOM 57 CE1 HIS 4 0.795 0.830 4.885 1.00 0.14 ATOM 58 HE1 HIS 4 1.234 1.752 5.235 1.00 43.42 ATOM 59 NE2 HIS 4 0.849 -0.331 5.505 1.00 11.44 ATOM 60 HE2 HIS 4 1.464 -0.538 6.241 1.00 38.50 ATOM 61 C HIS 4 -1.551 -3.095 0.942 1.00 43.32 ATOM 62 O HIS 4 -2.428 -2.452 0.364 1.00 62.32 ATOM 63 N HIS 5 -1.415 -4.412 0.814 1.00 71.13 ATOM 64 HN HIS 5 -0.655 -4.847 1.249 1.00 38.50 ATOM 65 CA HIS 5 -2.347 -5.230 0.029 1.00 72.03 ATOM 66 HA HIS 5 -2.673 -4.638 -0.814 1.00 31.23 ATOM 67 CB HIS 5 -1.623 -6.479 -0.500 1.00 31.33 ATOM 68 HB1 HIS 5 -1.033 -6.204 -1.364 1.00 38.50 ATOM 69 HB2 HIS 5 -2.354 -7.220 -0.793 1.00 42.34 ATOM 70 CG HIS 5 -0.705 -7.109 0.504 1.00 53.43 ATOM 71 ND1 HIS 5 0.637 -6.806 0.579 1.00 23.45 ATOM 72 HD1 HIS 5 1.116 -6.174 -0.002 1.00 63.13 ATOM 73 CD2 HIS 5 -0.935 -8.016 1.485 1.00 63.33 ATOM 74 HD2 HIS 5 -1.882 -8.479 1.725 1.00 22.52 ATOM 75 CE1 HIS 5 1.191 -7.494 1.553 1.00 20.15 ATOM 76 HE1 HIS 5 2.231 -7.455 1.842 1.00 54.01 ATOM 77 NE2 HIS 5 0.263 -8.234 2.119 1.00 31.34 ATOM 78 HE2 HIS 5 0.429 -8.916 2.808 1.00 38.50 ATOM 79 C HIS 5 -3.583 -5.625 0.853 1.00 25.22 ATOM 80 O HIS 5 -3.512 -5.758 2.077 1.00 62.12 ATOM 81 N HIS 6 -4.713 -5.820 0.172 1.00 55.25 ATOM 82 HN HIS 6 -4.691 -5.777 -0.810 1.00 38.50 ATOM 83 CA HIS 6 -5.986 -6.103 0.849 1.00 73.45 ATOM 84 HA HIS 6 -5.992 -5.549 1.778 1.00 31.50 ATOM 85 CB HIS 6 -7.162 -5.623 -0.012 1.00 2.32 ATOM 86 HB1 HIS 6 -8.085 -5.784 0.527 1.00 38.50 ATOM 87 HB2 HIS 6 -7.186 -6.189 -0.932 1.00 72.43 ATOM 88 CG HIS 6 -7.084 -4.170 -0.368 1.00 21.42 ATOM 89 ND1 HIS 6 -7.344 -3.160 0.532 1.00 45.14 ATOM 90 HD1 HIS 6 -7.597 -3.281 1.473 1.00 54.44 ATOM 91 CD2 HIS 6 -6.757 -3.557 -1.530 1.00 41.12 ATOM 92 HD2 HIS 6 -6.491 -4.041 -2.460 1.00 20.23 ATOM 93 CE1 HIS 6 -7.184 -1.993 -0.058 1.00 2.12 ATOM 94 HE1 HIS 6 -7.320 -1.027 0.405 1.00 44.14 ATOM 95 NE2 HIS 6 -6.828 -2.206 -1.308 1.00 33.34 ATOM 96 HE2 HIS 6 -6.518 -1.511 -1.930 1.00 38.50 ATOM 97 C HIS 6 -6.151 -7.597 1.179 1.00 23.33 ATOM 98 O HIS 6 -5.358 -8.441 0.751 1.00 23.32 ATOM 99 N HIS 7 -7.193 -7.909 1.947 1.00 31.32 ATOM 100 HN HIS 7 -7.787 -7.189 2.250 1.00 38.50 ATOM 101 CA HIS 7 -7.493 -9.288 2.343 1.00 40.30 ATOM 102 HA HIS 7 -6.555 -9.812 2.461 1.00 43.53 ATOM 103 CB HIS 7 -8.242 -9.301 3.684 1.00 3.30 ATOM 104 HB1 HIS 7 -8.451 -10.324 3.963 1.00 38.50 ATOM 105 HB2 HIS 7 -9.175 -8.767 3.572 1.00 30.00 ATOM 106 CG HIS 7 -7.482 -8.664 4.808 1.00 53.20 ATOM 107 ND1 HIS 7 -8.003 -7.668 5.605 1.00 72.03 ATOM 108 HD1 HIS 7 -8.896 -7.265 5.514 1.00 3.55 ATOM 109 CD2 HIS 7 -6.242 -8.912 5.287 1.00 31.45 ATOM 110 HD2 HIS 7 -5.539 -9.635 4.898 1.00 52.04 ATOM 111 CE1 HIS 7 -7.117 -7.332 6.520 1.00 11.01 ATOM 112 HE1 HIS 7 -7.252 -6.577 7.281 1.00 1.13 ATOM 113 NE2 HIS 7 -6.040 -8.073 6.354 1.00 41.03 ATOM 114 HE2 HIS 7 -5.346 -8.200 7.035 1.00 38.50 ATOM 115 C HIS 7 -8.333 -10.008 1.275 1.00 50.32 ATOM 116 O HIS 7 -9.051 -9.375 0.504 1.00 54.25 ATOM 117 N HIS 8 -8.224 -11.332 1.227 1.00 15.42 ATOM 118 HN HIS 8 -7.598 -11.778 1.838 1.00 38.50 ATOM 119 CA HIS 8 -9.016 -12.155 0.303 1.00 11.32 ATOM 120 HA HIS 8 -9.848 -11.558 -0.049 1.00 31.34 ATOM 121 CB HIS 8 -8.164 -12.589 -0.902 1.00 32.11 ATOM 122 HB1 HIS 8 -8.726 -13.299 -1.495 1.00 38.50 ATOM 123 HB2 HIS 8 -7.263 -13.065 -0.544 1.00 12.54 ATOM 124 CG HIS 8 -7.757 -11.456 -1.800 1.00 3.10 ATOM 125 ND1 HIS 8 -8.392 -11.177 -2.989 1.00 61.35 ATOM 126 HD1 HIS 8 -9.144 -11.682 -3.370 1.00 5.24 ATOM 127 CD2 HIS 8 -6.778 -10.526 -1.677 1.00 35.35 ATOM 128 HD2 HIS 8 -6.076 -10.437 -0.860 1.00 41.30 ATOM 129 CE1 HIS 8 -7.827 -10.132 -3.556 1.00 51.43 ATOM 130 HE1 HIS 8 -8.123 -9.688 -4.495 1.00 5.13 ATOM 131 NE2 HIS 8 -6.846 -9.716 -2.783 1.00 4.43 ATOM 132 HE2 HIS 8 -6.396 -8.848 -2.874 1.00 38.50 ATOM 133 C HIS 8 -9.572 -13.390 1.027 1.00 74.22 ATOM 134 O HIS 8 -9.038 -13.806 2.059 1.00 10.43 ATOM 135 N SER 9 -10.641 -13.972 0.486 1.00 31.25 ATOM 136 HN SER 9 -11.031 -13.590 -0.333 1.00 38.50 ATOM 137 CA SER 9 -11.258 -15.168 1.085 1.00 72.04 ATOM 138 HA SER 9 -11.508 -14.926 2.110 1.00 5.24 ATOM 139 CB SER 9 -12.545 -15.552 0.339 1.00 43.43 ATOM 140 HB1 SER 9 -12.971 -16.437 0.790 1.00 38.50 ATOM 141 HB2 SER 9 -12.314 -15.754 -0.697 1.00 2.20 ATOM 142 OG SER 9 -13.510 -14.507 0.390 1.00 74.20 ATOM 143 HG SER 9 -14.112 -14.595 -0.362 1.00 34.12 ATOM 144 C SER 9 -10.285 -16.354 1.089 1.00 60.43 ATOM 145 O SER 9 -10.269 -17.157 2.023 1.00 41.31 ATOM 146 N HIS 10 -9.473 -16.457 0.039 1.00 34.44 ATOM 147 HN HIS 10 -9.577 -15.826 -0.702 1.00 38.50 ATOM 148 CA HIS 10 -8.429 -17.491 -0.035 1.00 24.25 ATOM 149 HA HIS 10 -8.565 -18.153 0.810 1.00 11.21 ATOM 150 CB HIS 10 -8.564 -18.317 -1.329 1.00 33.13 ATOM 151 HB1 HIS 10 -9.544 -18.772 -1.356 1.00 38.50 ATOM 152 HB2 HIS 10 -7.816 -19.095 -1.329 1.00 74.43 ATOM 153 CG HIS 10 -8.390 -17.524 -2.591 1.00 3.10 ATOM 154 ND1 HIS 10 -7.168 -17.341 -3.201 1.00 24.54 ATOM 155 HD1 HIS 10 -6.310 -17.700 -2.885 1.00 33.01 ATOM 156 CD2 HIS 10 -9.286 -16.856 -3.350 1.00 52.13 ATOM 157 HD2 HIS 10 -10.350 -16.790 -3.175 1.00 43.23 ATOM 158 CE1 HIS 10 -7.319 -16.595 -4.273 1.00 12.33 ATOM 159 HE1 HIS 10 -6.531 -16.290 -4.946 1.00 25.23 ATOM 160 NE2 HIS 10 -8.594 -16.286 -4.389 1.00 62.55 ATOM 161 HE2 HIS 10 -8.945 -15.579 -4.972 1.00 38.50 ATOM 162 C HIS 10 -7.021 -16.865 0.059 1.00 61.44 ATOM 163 O HIS 10 -6.554 -16.217 -0.878 1.00 13.15 ATOM 164 N PRO 11 -6.341 -17.012 1.211 1.00 32.40 ATOM 165 CA PRO 11 -4.965 -16.535 1.387 1.00 60.44 ATOM 166 HA PRO 11 -4.772 -15.642 0.809 1.00 20.42 ATOM 167 CB PRO 11 -4.943 -16.198 2.880 1.00 64.31 ATOM 168 HB1 PRO 11 -5.316 -15.196 3.031 1.00 38.50 ATOM 169 HB2 PRO 11 -3.932 -16.272 3.261 1.00 41.12 ATOM 170 CG PRO 11 -5.847 -17.215 3.509 1.00 70.13 ATOM 171 HG1 PRO 11 -6.349 -16.780 4.363 1.00 38.50 ATOM 172 HG2 PRO 11 -5.271 -18.077 3.820 1.00 42.34 ATOM 173 CD PRO 11 -6.863 -17.617 2.455 1.00 71.45 ATOM 174 HD1 PRO 11 -7.836 -17.215 2.697 1.00 38.50 ATOM 175 HD2 PRO 11 -6.913 -18.694 2.367 1.00 35.22 ATOM 176 C PRO 11 -3.906 -17.603 1.051 1.00 70.54 ATOM 177 O PRO 11 -4.219 -18.789 0.902 1.00 2.44 ATOM 178 N ASN 12 -2.655 -17.170 0.908 1.00 15.23 ATOM 179 HN ASN 12 -2.484 -16.206 0.895 1.00 38.50 ATOM 180 CA ASN 12 -1.531 -18.096 0.743 1.00 21.10 ATOM 181 HA ASN 12 -1.767 -18.768 -0.070 1.00 51.22 ATOM 182 CB ASN 12 -0.245 -17.325 0.405 1.00 32.32 ATOM 183 HB1 ASN 12 0.573 -18.027 0.316 1.00 38.50 ATOM 184 HB2 ASN 12 -0.029 -16.629 1.202 1.00 51.14 ATOM 185 CG ASN 12 -0.345 -16.544 -0.895 1.00 40.23 ATOM 186 OD1 ASN 12 -1.420 -16.123 -1.305 1.00 42.25 ATOM 187 ND2 ASN 12 0.784 -16.323 -1.536 1.00 54.32 ATOM 188 HD21 ASN 12 1.615 -16.667 -1.144 1.00 53.20 ATOM 189 HD22 ASN 12 0.746 -15.829 -2.379 1.00 2.53 ATOM 190 C ASN 12 -1.322 -18.917 2.028 1.00 53.41 ATOM 191 O ASN 12 -1.740 -18.502 3.113 1.00 45.41 ATOM 192 N GLU 13 -0.674 -20.072 1.906 1.00 54.22 ATOM 193 HN GLU 13 -0.364 -20.354 1.017 1.00 38.50 ATOM 194 CA GLU 13 -0.424 -20.942 3.063 1.00 11.42 ATOM 195 HA GLU 13 -1.386 -21.248 3.453 1.00 64.00 ATOM 196 CB GLU 13 0.350 -22.192 2.628 1.00 34.21 ATOM 197 HB1 GLU 13 1.328 -21.892 2.279 1.00 38.50 ATOM 198 HB2 GLU 13 -0.183 -22.661 1.812 1.00 0.41 ATOM 199 CG GLU 13 0.532 -23.223 3.736 1.00 5.14 ATOM 200 HG1 GLU 13 -0.434 -23.443 4.171 1.00 38.50 ATOM 201 HG2 GLU 13 1.180 -22.810 4.497 1.00 50.23 ATOM 202 CD GLU 13 1.139 -24.517 3.223 1.00 35.45 ATOM 203 OE1 GLU 13 0.394 -25.346 2.658 1.00 25.14 ATOM 204 OE2 GLU 13 2.363 -24.709 3.370 1.00 11.31 ATOM 205 C GLU 13 0.339 -20.199 4.172 1.00 65.24 ATOM 206 O GLU 13 -0.059 -20.223 5.338 1.00 54.01 ATOM 207 N GLU 14 1.430 -19.531 3.806 1.00 44.33 ATOM 208 HN GLU 14 1.728 -19.573 2.872 1.00 38.50 ATOM 209 CA GLU 14 2.201 -18.741 4.773 1.00 10.33 ATOM 210 HA GLU 14 2.355 -19.358 5.649 1.00 31.34 ATOM 211 CB GLU 14 3.571 -18.362 4.191 1.00 5.05 ATOM 212 HB1 GLU 14 3.421 -17.672 3.372 1.00 38.50 ATOM 213 HB2 GLU 14 4.046 -19.255 3.812 1.00 71.44 ATOM 214 CG GLU 14 4.517 -17.711 5.199 1.00 25.31 ATOM 215 HG1 GLU 14 4.616 -18.366 6.054 1.00 38.50 ATOM 216 HG2 GLU 14 4.089 -16.771 5.519 1.00 2.14 ATOM 217 CD GLU 14 5.901 -17.447 4.624 1.00 3.02 ATOM 218 OE1 GLU 14 6.577 -18.419 4.226 1.00 1.23 ATOM 219 OE2 GLU 14 6.327 -16.272 4.584 1.00 62.21 ATOM 220 C GLU 14 1.433 -17.476 5.196 1.00 43.21 ATOM 221 O GLU 14 1.583 -16.992 6.317 1.00 51.24 ATOM 222 N ALA 15 0.599 -16.952 4.298 1.00 25.15 ATOM 223 HN ALA 15 0.520 -17.375 3.420 1.00 38.50 ATOM 224 CA ALA 15 -0.205 -15.759 4.599 1.00 2.43 ATOM 225 HA ALA 15 0.473 -14.973 4.905 1.00 63.41 ATOM 226 CB ALA 15 -0.943 -15.285 3.352 1.00 44.32 ATOM 227 HB1 ALA 15 -1.487 -14.379 3.576 1.00 1.22 ATOM 228 HB2 ALA 15 -1.635 -16.049 3.028 1.00 23.12 ATOM 229 HB3 ALA 15 -0.231 -15.090 2.562 1.00 4.43 ATOM 230 C ALA 15 -1.196 -16.025 5.743 1.00 31.34 ATOM 231 O ALA 15 -1.299 -15.240 6.684 1.00 31.11 ATOM 232 N ARG 16 -1.926 -17.139 5.657 1.00 60.14 ATOM 233 HN ARG 16 -1.845 -17.704 4.858 1.00 38.50 ATOM 234 CA ARG 16 -2.849 -17.531 6.729 1.00 45.04 ATOM 235 HA ARG 16 -3.484 -16.678 6.932 1.00 63.11 ATOM 236 CB ARG 16 -3.736 -18.709 6.287 1.00 22.25 ATOM 237 HB1 ARG 16 -4.171 -18.470 5.325 1.00 38.50 ATOM 238 HB2 ARG 16 -4.535 -18.831 7.006 1.00 54.35 ATOM 239 CG ARG 16 -3.002 -20.039 6.161 1.00 64.14 ATOM 240 HG1 ARG 16 -2.736 -20.388 7.150 1.00 38.50 ATOM 241 HG2 ARG 16 -2.102 -19.886 5.582 1.00 61.13 ATOM 242 CD ARG 16 -3.853 -21.102 5.471 1.00 21.00 ATOM 243 HD1 ARG 16 -3.335 -22.049 5.528 1.00 38.50 ATOM 244 HD2 ARG 16 -3.978 -20.825 4.435 1.00 53.22 ATOM 245 NE ARG 16 -5.176 -21.249 6.075 1.00 44.01 ATOM 246 HE ARG 16 -5.526 -20.498 6.589 1.00 64.11 ATOM 247 CZ ARG 16 -5.927 -22.310 5.945 1.00 74.00 ATOM 248 NH1 ARG 16 -5.499 -23.353 5.302 1.00 62.55 ATOM 249 HH11 ARG 16 -4.592 -23.350 4.897 1.00 63.40 ATOM 250 HH12 ARG 16 -6.077 -24.166 5.230 1.00 24.44 ATOM 251 NH2 ARG 16 -7.111 -22.325 6.458 1.00 74.02 ATOM 252 HH21 ARG 16 -7.452 -21.525 6.948 1.00 61.32 ATOM 253 HH22 ARG 16 -7.677 -23.136 6.368 1.00 24.00 ATOM 254 C ARG 16 -2.071 -17.870 8.014 1.00 52.34 ATOM 255 O ARG 16 -2.555 -17.651 9.127 1.00 51.14 ATOM 256 N LEU 17 -0.859 -18.408 7.841 1.00 63.23 ATOM 257 HN LEU 17 -0.575 -18.657 6.936 1.00 38.50 ATOM 258 CA LEU 17 0.064 -18.636 8.958 1.00 30.11 ATOM 259 HA LEU 17 -0.427 -19.289 9.665 1.00 41.33 ATOM 260 CB LEU 17 1.343 -19.321 8.447 1.00 30.31 ATOM 261 HB1 LEU 17 1.723 -18.745 7.618 1.00 38.50 ATOM 262 HB2 LEU 17 1.077 -20.305 8.082 1.00 3.44 ATOM 263 CG LEU 17 2.476 -19.483 9.476 1.00 1.23 ATOM 264 HG LEU 17 2.741 -18.508 9.859 1.00 50.44 ATOM 265 CD1 LEU 17 2.021 -20.336 10.654 1.00 31.25 ATOM 266 HD11 LEU 17 1.744 -21.320 10.303 1.00 11.43 ATOM 267 HD12 LEU 17 1.169 -19.871 11.128 1.00 72.25 ATOM 268 HD13 LEU 17 2.826 -20.423 11.370 1.00 60.15 ATOM 269 CD2 LEU 17 3.719 -20.084 8.819 1.00 3.33 ATOM 270 HD21 LEU 17 3.473 -21.044 8.389 1.00 25.53 ATOM 271 HD22 LEU 17 4.494 -20.210 9.560 1.00 35.11 ATOM 272 HD23 LEU 17 4.071 -19.421 8.041 1.00 13.13 ATOM 273 C LEU 17 0.411 -17.311 9.663 1.00 45.42 ATOM 274 O LEU 17 0.479 -17.249 10.894 1.00 4.13 ATOM 275 N ASP 18 0.621 -16.251 8.881 1.00 13.43 ATOM 276 HN ASP 18 0.592 -16.363 7.906 1.00 38.50 ATOM 277 CA ASP 18 0.902 -14.926 9.440 1.00 53.23 ATOM 278 HA ASP 18 1.732 -15.035 10.127 1.00 22.35 ATOM 279 CB ASP 18 1.307 -13.946 8.332 1.00 72.11 ATOM 280 HB1 ASP 18 0.478 -13.824 7.648 1.00 38.50 ATOM 281 HB2 ASP 18 2.154 -14.350 7.793 1.00 55.10 ATOM 282 CG ASP 18 1.695 -12.578 8.879 1.00 0.53 ATOM 283 OD1 ASP 18 2.764 -12.466 9.523 1.00 12.42 ATOM 284 OD2 ASP 18 0.943 -11.609 8.661 1.00 43.21 ATOM 285 C ASP 18 -0.311 -14.391 10.225 1.00 51.54 ATOM 286 O ASP 18 -0.152 -13.744 11.257 1.00 20.32 ATOM 287 N ILE 19 -1.522 -14.675 9.737 1.00 75.12 ATOM 288 HN ILE 19 -1.591 -15.102 8.856 1.00 38.50 ATOM 289 CA ILE 19 -2.748 -14.344 10.477 1.00 22.30 ATOM 290 HA ILE 19 -2.790 -13.269 10.597 1.00 63.31 ATOM 291 CB ILE 19 -4.020 -14.811 9.722 1.00 42.23 ATOM 292 HB ILE 19 -4.012 -15.892 9.694 1.00 62.22 ATOM 293 CG1 ILE 19 -4.033 -14.277 8.280 1.00 41.34 ATOM 294 HG11 ILE 19 -3.105 -14.544 7.794 1.00 38.50 ATOM 295 HG12 ILE 19 -4.128 -13.201 8.296 1.00 71.33 ATOM 296 CG2 ILE 19 -5.282 -14.370 10.467 1.00 31.01 ATOM 297 HG21 ILE 19 -5.293 -14.811 11.455 1.00 31.31 ATOM 298 HG22 ILE 19 -6.155 -14.695 9.921 1.00 74.24 ATOM 299 HG23 ILE 19 -5.295 -13.292 10.554 1.00 4.53 ATOM 300 CD1 ILE 19 -5.171 -14.831 7.443 1.00 53.03 ATOM 301 HD11 ILE 19 -5.116 -14.424 6.445 1.00 73.23 ATOM 302 HD12 ILE 19 -6.115 -14.558 7.891 1.00 24.24 ATOM 303 HD13 ILE 19 -5.091 -15.910 7.399 1.00 1.01 ATOM 304 C ILE 19 -2.728 -15.007 11.865 1.00 32.10 ATOM 305 O ILE 19 -2.982 -14.364 12.889 1.00 63.04 ATOM 306 N LEU 20 -2.420 -16.304 11.882 1.00 43.41 ATOM 307 HN LEU 20 -2.310 -16.775 11.027 1.00 38.50 ATOM 308 CA LEU 20 -2.242 -17.053 13.132 1.00 45.30 ATOM 309 HA LEU 20 -3.194 -17.072 13.645 1.00 14.25 ATOM 310 CB LEU 20 -1.816 -18.493 12.815 1.00 21.41 ATOM 311 HB1 LEU 20 -1.533 -18.979 13.738 1.00 38.50 ATOM 312 HB2 LEU 20 -0.948 -18.454 12.170 1.00 32.55 ATOM 313 CG LEU 20 -2.896 -19.352 12.129 1.00 13.10 ATOM 314 HG LEU 20 -3.390 -18.757 11.374 1.00 73.31 ATOM 315 CD1 LEU 20 -2.277 -20.559 11.435 1.00 62.32 ATOM 316 HD11 LEU 20 -3.060 -21.162 10.996 1.00 2.50 ATOM 317 HD12 LEU 20 -1.725 -21.149 12.152 1.00 41.24 ATOM 318 HD13 LEU 20 -1.610 -20.220 10.655 1.00 30.23 ATOM 319 CD2 LEU 20 -3.952 -19.801 13.138 1.00 52.40 ATOM 320 HD21 LEU 20 -3.492 -20.424 13.893 1.00 75.54 ATOM 321 HD22 LEU 20 -4.721 -20.364 12.628 1.00 53.11 ATOM 322 HD23 LEU 20 -4.395 -18.935 13.607 1.00 1.44 ATOM 323 C LEU 20 -1.206 -16.368 14.036 1.00 2.12 ATOM 324 O LEU 20 -1.384 -16.286 15.253 1.00 62.41 ATOM 325 N LYS 21 -0.132 -15.867 13.427 1.00 54.31 ATOM 326 HN LYS 21 -0.014 -16.024 12.464 1.00 38.50 ATOM 327 CA LYS 21 0.878 -15.092 14.151 1.00 62.10 ATOM 328 HA LYS 21 1.247 -15.706 14.961 1.00 70.24 ATOM 329 CB LYS 21 2.052 -14.735 13.226 1.00 24.12 ATOM 330 HB1 LYS 21 2.706 -14.043 13.743 1.00 38.50 ATOM 331 HB2 LYS 21 1.661 -14.247 12.343 1.00 64.05 ATOM 332 CG LYS 21 2.884 -15.933 12.777 1.00 14.24 ATOM 333 HG1 LYS 21 2.230 -16.662 12.319 1.00 38.50 ATOM 334 HG2 LYS 21 3.363 -16.370 13.642 1.00 50.11 ATOM 335 CD LYS 21 3.956 -15.524 11.769 1.00 43.33 ATOM 336 HD1 LYS 21 4.548 -14.722 12.191 1.00 38.50 ATOM 337 HD2 LYS 21 3.473 -15.176 10.868 1.00 74.14 ATOM 338 CE LYS 21 4.880 -16.683 11.413 1.00 32.23 ATOM 339 HE1 LYS 21 5.546 -16.365 10.624 1.00 38.50 ATOM 340 HE2 LYS 21 4.282 -17.510 11.062 1.00 32.12 ATOM 341 NZ LYS 21 5.690 -17.135 12.576 1.00 24.41 ATOM 342 HZ1 LYS 21 5.072 -17.479 13.336 1.00 51.10 ATOM 343 HZ2 LYS 21 6.266 -16.349 12.943 1.00 23.32 ATOM 344 HZ3 LYS 21 6.325 -17.906 12.286 1.00 52.10 ATOM 345 C LYS 21 0.272 -13.808 14.744 1.00 21.54 ATOM 346 O LYS 21 0.463 -13.521 15.918 1.00 61.34 ATOM 347 N ILE 22 -0.475 -13.054 13.932 1.00 31.11 ATOM 348 HN ILE 22 -0.611 -13.350 13.006 1.00 38.50 ATOM 349 CA ILE 22 -1.092 -11.790 14.375 1.00 55.10 ATOM 350 HA ILE 22 -0.299 -11.068 14.507 1.00 71.43 ATOM 351 CB ILE 22 -2.082 -11.239 13.310 1.00 64.02 ATOM 352 HB ILE 22 -2.829 -11.999 13.124 1.00 51.12 ATOM 353 CG1 ILE 22 -1.344 -10.935 11.994 1.00 33.55 ATOM 354 HG11 ILE 22 -0.869 -11.838 11.640 1.00 38.50 ATOM 355 HG12 ILE 22 -0.585 -10.188 12.175 1.00 13.22 ATOM 356 CG2 ILE 22 -2.803 -9.990 13.827 1.00 23.13 ATOM 357 HG21 ILE 22 -2.077 -9.224 14.061 1.00 12.12 ATOM 358 HG22 ILE 22 -3.362 -10.240 14.717 1.00 31.03 ATOM 359 HG23 ILE 22 -3.483 -9.622 13.070 1.00 73.34 ATOM 360 CD1 ILE 22 -2.244 -10.422 10.886 1.00 22.14 ATOM 361 HD11 ILE 22 -1.654 -10.237 10.000 1.00 34.03 ATOM 362 HD12 ILE 22 -2.717 -9.504 11.200 1.00 20.13 ATOM 363 HD13 ILE 22 -3.003 -11.160 10.665 1.00 64.34 ATOM 364 C ILE 22 -1.837 -11.960 15.710 1.00 72.22 ATOM 365 O ILE 22 -1.767 -11.104 16.598 1.00 71.21 ATOM 366 N HIS 23 -2.542 -13.075 15.850 1.00 53.31 ATOM 367 HN HIS 23 -2.573 -13.714 15.103 1.00 38.50 ATOM 368 CA HIS 23 -3.266 -13.376 17.088 1.00 5.24 ATOM 369 HA HIS 23 -3.715 -12.456 17.439 1.00 32.24 ATOM 370 CB HIS 23 -4.381 -14.391 16.803 1.00 32.11 ATOM 371 HB1 HIS 23 -4.857 -14.667 17.733 1.00 38.50 ATOM 372 HB2 HIS 23 -3.950 -15.272 16.348 1.00 64.44 ATOM 373 CG HIS 23 -5.441 -13.867 15.877 1.00 44.53 ATOM 374 ND1 HIS 23 -6.728 -13.589 16.278 1.00 63.44 ATOM 375 HD1 HIS 23 -7.087 -13.707 17.188 1.00 33.31 ATOM 376 CD2 HIS 23 -5.395 -13.565 14.557 1.00 24.31 ATOM 377 HD2 HIS 23 -4.535 -13.655 13.911 1.00 53.43 ATOM 378 CE1 HIS 23 -7.424 -13.142 15.253 1.00 24.40 ATOM 379 HE1 HIS 23 -8.461 -12.843 15.276 1.00 74.33 ATOM 380 NE2 HIS 23 -6.640 -13.118 14.197 1.00 70.35 ATOM 381 HE2 HIS 23 -6.837 -12.623 13.373 1.00 38.50 ATOM 382 C HIS 23 -2.318 -13.907 18.182 1.00 73.12 ATOM 383 O HIS 23 -2.387 -13.484 19.337 1.00 72.43 ATOM 384 N SER 24 -1.419 -14.813 17.798 1.00 11.44 ATOM 385 HN SER 24 -1.377 -15.068 16.852 1.00 38.50 ATOM 386 CA SER 24 -0.493 -15.455 18.749 1.00 42.24 ATOM 387 HA SER 24 -1.082 -15.829 19.575 1.00 63.31 ATOM 388 CB SER 24 0.214 -16.640 18.079 1.00 20.52 ATOM 389 HB1 SER 24 0.892 -17.102 18.784 1.00 38.50 ATOM 390 HB2 SER 24 0.774 -16.288 17.224 1.00 11.23 ATOM 391 OG SER 24 -0.719 -17.614 17.640 1.00 25.41 ATOM 392 HG SER 24 -0.846 -17.531 16.691 1.00 64.20 ATOM 393 C SER 24 0.558 -14.478 19.306 1.00 22.40 ATOM 394 O SER 24 1.051 -14.660 20.417 1.00 3.41 ATOM 395 N ARG 25 0.889 -13.437 18.540 1.00 51.42 ATOM 396 HN ARG 25 0.431 -13.318 17.686 1.00 38.50 ATOM 397 CA ARG 25 1.918 -12.460 18.941 1.00 73.03 ATOM 398 HA ARG 25 2.844 -13.001 19.070 1.00 70.52 ATOM 399 CB ARG 25 2.116 -11.403 17.838 1.00 3.43 ATOM 400 HB1 ARG 25 2.686 -10.579 18.248 1.00 38.50 ATOM 401 HB2 ARG 25 1.147 -11.036 17.532 1.00 53.23 ATOM 402 CG ARG 25 2.847 -11.914 16.595 1.00 52.41 ATOM 403 HG1 ARG 25 2.366 -12.819 16.253 1.00 38.50 ATOM 404 HG2 ARG 25 3.873 -12.131 16.857 1.00 43.21 ATOM 405 CD ARG 25 2.833 -10.887 15.461 1.00 14.13 ATOM 406 HD1 ARG 25 3.359 -10.000 15.789 1.00 38.50 ATOM 407 HD2 ARG 25 1.807 -10.630 15.241 1.00 5.35 ATOM 408 NE ARG 25 3.469 -11.390 14.241 1.00 13.23 ATOM 409 HE ARG 25 4.313 -11.874 14.338 1.00 12.01 ATOM 410 CZ ARG 25 2.980 -11.236 13.034 1.00 33.45 ATOM 411 NH1 ARG 25 1.878 -10.580 12.843 1.00 50.53 ATOM 412 HH11 ARG 25 1.388 -10.187 13.618 1.00 75.21 ATOM 413 HH12 ARG 25 1.528 -10.459 11.914 1.00 60.23 ATOM 414 NH2 ARG 25 3.605 -11.735 12.017 1.00 71.34 ATOM 415 HH21 ARG 25 4.458 -12.231 12.152 1.00 14.05 ATOM 416 HH22 ARG 25 3.220 -11.640 11.096 1.00 74.24 ATOM 417 C ARG 25 1.572 -11.762 20.268 1.00 52.11 ATOM 418 O ARG 25 2.463 -11.300 20.986 1.00 54.21 ATOM 419 N LYS 26 0.281 -11.689 20.590 1.00 61.15 ATOM 420 HN LYS 26 -0.380 -12.091 19.988 1.00 38.50 ATOM 421 CA LYS 26 -0.178 -11.025 21.819 1.00 65.03 ATOM 422 HA LYS 26 0.581 -10.309 22.108 1.00 1.13 ATOM 423 CB LYS 26 -1.486 -10.268 21.549 1.00 44.11 ATOM 424 HB1 LYS 26 -1.853 -9.863 22.483 1.00 38.50 ATOM 425 HB2 LYS 26 -2.215 -10.964 21.158 1.00 54.30 ATOM 426 CG LYS 26 -1.337 -9.116 20.552 1.00 12.01 ATOM 427 HG1 LYS 26 -1.014 -9.516 19.599 1.00 38.50 ATOM 428 HG2 LYS 26 -0.589 -8.428 20.923 1.00 44.35 ATOM 429 CD LYS 26 -2.650 -8.356 20.354 1.00 41.41 ATOM 430 HD1 LYS 26 -2.454 -7.469 19.768 1.00 38.50 ATOM 431 HD2 LYS 26 -3.037 -8.067 21.321 1.00 24.50 ATOM 432 CE LYS 26 -3.700 -9.198 19.636 1.00 35.11 ATOM 433 HE1 LYS 26 -4.644 -8.673 19.659 1.00 38.50 ATOM 434 HE2 LYS 26 -3.805 -10.142 20.152 1.00 73.42 ATOM 435 NZ LYS 26 -3.331 -9.465 18.218 1.00 10.42 ATOM 436 HZ1 LYS 26 -3.242 -8.566 17.699 1.00 64.34 ATOM 437 HZ2 LYS 26 -4.062 -10.042 17.760 1.00 33.53 ATOM 438 HZ3 LYS 26 -2.424 -9.969 18.166 1.00 44.51 ATOM 439 C LYS 26 -0.366 -12.020 22.984 1.00 50.34 ATOM 440 O LYS 26 -0.821 -11.643 24.066 1.00 21.23 ATOM 441 N MET 27 -0.004 -13.283 22.764 1.00 23.31 ATOM 442 HN MET 27 0.344 -13.529 21.881 1.00 38.50 ATOM 443 CA MET 27 -0.091 -14.317 23.809 1.00 21.05 ATOM 444 HA MET 27 -0.326 -13.827 24.746 1.00 65.31 ATOM 445 CB MET 27 -1.205 -15.328 23.487 1.00 53.51 ATOM 446 HB1 MET 27 -1.203 -16.099 24.246 1.00 38.50 ATOM 447 HB2 MET 27 -0.995 -15.783 22.528 1.00 3.22 ATOM 448 CG MET 27 -2.603 -14.723 23.429 1.00 25.03 ATOM 449 HG1 MET 27 -2.667 -14.077 22.564 1.00 38.50 ATOM 450 HG2 MET 27 -2.767 -14.140 24.323 1.00 63.31 ATOM 451 SD MET 27 -3.901 -15.977 23.312 1.00 41.22 ATOM 452 CE MET 27 -3.458 -16.809 21.785 1.00 65.31 ATOM 453 HE1 MET 27 -4.139 -17.631 21.613 1.00 22.13 ATOM 454 HE2 MET 27 -2.449 -17.186 21.861 1.00 33.22 ATOM 455 HE3 MET 27 -3.522 -16.111 20.964 1.00 25.53 ATOM 456 C MET 27 1.246 -15.059 23.969 1.00 50.13 ATOM 457 O MET 27 2.169 -14.878 23.173 1.00 42.35 ATOM 458 N ASN 28 1.347 -15.889 25.007 1.00 11.11 ATOM 459 HN ASN 28 0.599 -15.953 25.640 1.00 38.50 ATOM 460 CA ASN 28 2.545 -16.710 25.230 1.00 22.32 ATOM 461 HA ASN 28 3.388 -16.200 24.779 1.00 0.44 ATOM 462 CB ASN 28 2.815 -16.883 26.728 1.00 3.23 ATOM 463 HB1 ASN 28 3.676 -17.522 26.863 1.00 38.50 ATOM 464 HB2 ASN 28 1.956 -17.349 27.190 1.00 42.54 ATOM 465 CG ASN 28 3.079 -15.566 27.426 1.00 30.32 ATOM 466 OD1 ASN 28 4.210 -15.092 27.484 1.00 2.34 ATOM 467 ND2 ASN 28 2.041 -14.969 27.973 1.00 11.13 ATOM 468 HD21 ASN 28 1.164 -15.400 27.898 1.00 0.50 ATOM 469 HD22 ASN 28 2.192 -14.122 28.437 1.00 51.15 ATOM 470 C ASN 28 2.397 -18.092 24.581 1.00 74.20 ATOM 471 O ASN 28 1.472 -18.837 24.896 1.00 64.43 ATOM 472 N LEU 29 3.306 -18.430 23.675 1.00 22.01 ATOM 473 HN LEU 29 3.995 -17.780 23.427 1.00 38.50 ATOM 474 CA LEU 29 3.300 -19.745 23.025 1.00 74.25 ATOM 475 HA LEU 29 2.303 -20.158 23.111 1.00 34.23 ATOM 476 CB LEU 29 3.651 -19.602 21.538 1.00 33.15 ATOM 477 HB1 LEU 29 3.631 -20.584 21.091 1.00 38.50 ATOM 478 HB2 LEU 29 4.659 -19.213 21.465 1.00 43.53 ATOM 479 CG LEU 29 2.720 -18.684 20.724 1.00 72.34 ATOM 480 HG LEU 29 2.741 -17.692 21.155 1.00 5.01 ATOM 481 CD1 LEU 29 3.197 -18.573 19.277 1.00 5.42 ATOM 482 HD11 LEU 29 4.205 -18.184 19.258 1.00 74.15 ATOM 483 HD12 LEU 29 2.546 -17.904 18.732 1.00 53.25 ATOM 484 HD13 LEU 29 3.179 -19.549 18.813 1.00 62.22 ATOM 485 CD2 LEU 29 1.279 -19.188 20.778 1.00 45.22 ATOM 486 HD21 LEU 29 1.226 -20.179 20.352 1.00 30.43 ATOM 487 HD22 LEU 29 0.640 -18.521 20.217 1.00 23.23 ATOM 488 HD23 LEU 29 0.945 -19.220 21.806 1.00 23.25 ATOM 489 C LEU 29 4.289 -20.707 23.705 1.00 3.24 ATOM 490 O LEU 29 5.175 -20.283 24.451 1.00 71.02 ATOM 491 N THR 30 4.127 -22.004 23.449 1.00 11.35 ATOM 492 HN THR 30 3.371 -22.284 22.888 1.00 38.50 ATOM 493 CA THR 30 5.034 -23.029 23.996 1.00 54.23 ATOM 494 HA THR 30 5.119 -22.856 25.061 1.00 41.22 ATOM 495 CB THR 30 4.459 -24.452 23.785 1.00 2.14 ATOM 496 HB THR 30 3.490 -24.504 24.265 1.00 61.05 ATOM 497 OG1 THR 30 5.320 -25.437 24.377 1.00 62.04 ATOM 498 HG1 THR 30 4.926 -25.753 25.203 1.00 70.11 ATOM 499 CG2 THR 30 4.278 -24.755 22.304 1.00 3.31 ATOM 500 HG21 THR 30 3.568 -24.061 21.880 1.00 73.12 ATOM 501 HG22 THR 30 3.911 -25.764 22.183 1.00 10.51 ATOM 502 HG23 THR 30 5.227 -24.654 21.794 1.00 23.53 ATOM 503 C THR 30 6.445 -22.941 23.371 1.00 2.15 ATOM 504 O THR 30 6.743 -22.020 22.610 1.00 30.43 ATOM 505 N ARG 31 7.310 -23.905 23.691 1.00 21.15 ATOM 506 HN ARG 31 6.999 -24.662 24.231 1.00 38.50 ATOM 507 CA ARG 31 8.715 -23.872 23.255 1.00 11.41 ATOM 508 HA ARG 31 9.065 -22.856 23.360 1.00 43.21 ATOM 509 CB ARG 31 9.559 -24.775 24.166 1.00 64.41 ATOM 510 HB1 ARG 31 10.602 -24.664 23.902 1.00 38.50 ATOM 511 HB2 ARG 31 9.266 -25.804 24.006 1.00 60.55 ATOM 512 CG ARG 31 9.402 -24.456 25.651 1.00 64.02 ATOM 513 HG1 ARG 31 10.030 -25.127 26.223 1.00 38.50 ATOM 514 HG2 ARG 31 8.370 -24.601 25.932 1.00 53.52 ATOM 515 CD ARG 31 9.799 -23.018 25.967 1.00 52.52 ATOM 516 HD1 ARG 31 9.316 -22.358 25.257 1.00 38.50 ATOM 517 HD2 ARG 31 10.871 -22.923 25.871 1.00 53.32 ATOM 518 NE ARG 31 9.408 -22.628 27.321 1.00 20.10 ATOM 519 HE ARG 31 9.432 -23.317 28.016 1.00 65.43 ATOM 520 CZ ARG 31 9.015 -21.429 27.654 1.00 62.14 ATOM 521 NH1 ARG 31 9.013 -20.472 26.780 1.00 63.24 ATOM 522 HH11 ARG 31 9.317 -20.649 25.843 1.00 75.45 ATOM 523 HH12 ARG 31 8.710 -19.559 27.040 1.00 24.51 ATOM 524 NH2 ARG 31 8.640 -21.187 28.869 1.00 65.31 ATOM 525 HH21 ARG 31 8.655 -21.921 29.549 1.00 44.20 ATOM 526 HH22 ARG 31 8.328 -20.272 29.124 1.00 55.30 ATOM 527 C ARG 31 8.891 -24.295 21.786 1.00 30.34 ATOM 528 O ARG 31 9.849 -23.883 21.127 1.00 54.22 ATOM 529 N GLY 32 7.977 -25.121 21.281 1.00 14.11 ATOM 530 HN GLY 32 7.262 -25.456 21.864 1.00 38.50 ATOM 531 CA GLY 32 8.033 -25.551 19.884 1.00 13.52 ATOM 532 HA1 GLY 32 8.563 -26.492 19.830 1.00 38.50 ATOM 533 HA2 GLY 32 8.576 -24.814 19.309 1.00 72.32 ATOM 534 C GLY 32 6.652 -25.730 19.263 1.00 55.13 ATOM 535 O GLY 32 6.206 -26.855 19.025 1.00 61.15 ATOM 536 N ILE 33 5.968 -24.619 19.002 1.00 33.43 ATOM 537 HN ILE 33 6.373 -23.749 19.216 1.00 38.50 ATOM 538 CA ILE 33 4.619 -24.666 18.418 1.00 70.22 ATOM 539 HA ILE 33 4.191 -25.628 18.668 1.00 12.41 ATOM 540 CB ILE 33 3.704 -23.567 19.025 1.00 24.13 ATOM 541 HB ILE 33 3.672 -23.721 20.094 1.00 42.43 ATOM 542 CG1 ILE 33 2.274 -23.673 18.467 1.00 65.34 ATOM 543 HG11 ILE 33 1.898 -24.673 18.636 1.00 38.50 ATOM 544 HG12 ILE 33 2.291 -23.475 17.406 1.00 40.14 ATOM 545 CG2 ILE 33 4.280 -22.174 18.777 1.00 23.22 ATOM 546 HG21 ILE 33 3.661 -21.434 19.263 1.00 1.13 ATOM 547 HG22 ILE 33 4.308 -21.978 17.714 1.00 71.21 ATOM 548 HG23 ILE 33 5.282 -22.122 19.177 1.00 14.44 ATOM 549 CD1 ILE 33 1.303 -22.698 19.100 1.00 64.34 ATOM 550 HD11 ILE 33 1.652 -21.688 18.945 1.00 64.51 ATOM 551 HD12 ILE 33 1.231 -22.896 20.159 1.00 5.23 ATOM 552 HD13 ILE 33 0.330 -22.814 18.645 1.00 64.20 ATOM 553 C ILE 33 4.643 -24.530 16.882 1.00 62.42 ATOM 554 O ILE 33 5.226 -23.594 16.332 1.00 3.33 ATOM 555 N ASN 34 4.008 -25.475 16.191 1.00 0.15 ATOM 556 HN ASN 34 3.614 -26.233 16.673 1.00 38.50 ATOM 557 CA ASN 34 3.891 -25.414 14.728 1.00 60.14 ATOM 558 HA ASN 34 4.613 -24.692 14.369 1.00 25.13 ATOM 559 CB ASN 34 4.204 -26.787 14.103 1.00 65.00 ATOM 560 HB1 ASN 34 3.413 -27.480 14.352 1.00 38.50 ATOM 561 HB2 ASN 34 5.137 -27.152 14.509 1.00 54.43 ATOM 562 CG ASN 34 4.331 -26.728 12.585 1.00 42.51 ATOM 563 OD1 ASN 34 3.760 -25.862 11.934 1.00 30.24 ATOM 564 ND2 ASN 34 5.068 -27.654 12.006 1.00 54.02 ATOM 565 HD21 ASN 34 5.498 -28.328 12.570 1.00 41.50 ATOM 566 HD22 ASN 34 5.153 -27.629 11.029 1.00 55.11 ATOM 567 C ASN 34 2.482 -24.946 14.316 1.00 51.21 ATOM 568 O ASN 34 1.540 -25.743 14.262 1.00 61.23 ATOM 569 N LEU 35 2.349 -23.649 14.035 1.00 75.33 ATOM 570 HN LEU 35 3.135 -23.066 14.107 1.00 38.50 ATOM 571 CA LEU 35 1.066 -23.067 13.616 1.00 2.55 ATOM 572 HA LEU 35 0.295 -23.476 14.256 1.00 10.24 ATOM 573 CB LEU 35 1.095 -21.540 13.788 1.00 3.23 ATOM 574 HB1 LEU 35 0.211 -21.128 13.320 1.00 38.50 ATOM 575 HB2 LEU 35 1.964 -21.159 13.268 1.00 22.33 ATOM 576 CG LEU 35 1.146 -21.039 15.241 1.00 3.41 ATOM 577 HG LEU 35 2.010 -21.465 15.732 1.00 65.25 ATOM 578 CD1 LEU 35 1.285 -19.517 15.284 1.00 22.20 ATOM 579 HD11 LEU 35 1.329 -19.187 16.312 1.00 15.35 ATOM 580 HD12 LEU 35 0.434 -19.062 14.797 1.00 21.40 ATOM 581 HD13 LEU 35 2.191 -19.223 14.773 1.00 33.13 ATOM 582 CD2 LEU 35 -0.100 -21.489 16.002 1.00 20.53 ATOM 583 HD21 LEU 35 -0.982 -21.080 15.529 1.00 12.52 ATOM 584 HD22 LEU 35 -0.046 -21.140 17.023 1.00 62.34 ATOM 585 HD23 LEU 35 -0.157 -22.568 15.995 1.00 3.42 ATOM 586 C LEU 35 0.731 -23.430 12.161 1.00 13.32 ATOM 587 O LEU 35 -0.437 -23.481 11.775 1.00 41.11 ATOM 588 N ARG 36 1.760 -23.687 11.359 1.00 71.41 ATOM 589 HN ARG 36 2.670 -23.610 11.715 1.00 38.50 ATOM 590 CA ARG 36 1.569 -24.075 9.957 1.00 12.02 ATOM 591 HA ARG 36 0.963 -23.315 9.485 1.00 45.33 ATOM 592 CB ARG 36 2.927 -24.145 9.245 1.00 1.03 ATOM 593 HB1 ARG 36 3.473 -24.999 9.621 1.00 38.50 ATOM 594 HB2 ARG 36 3.484 -23.247 9.476 1.00 71.12 ATOM 595 CG ARG 36 2.829 -24.268 7.727 1.00 51.54 ATOM 596 HG1 ARG 36 2.210 -23.466 7.348 1.00 38.50 ATOM 597 HG2 ARG 36 2.377 -25.219 7.481 1.00 53.13 ATOM 598 CD ARG 36 4.202 -24.191 7.066 1.00 71.02 ATOM 599 HD1 ARG 36 4.765 -25.077 7.328 1.00 38.50 ATOM 600 HD2 ARG 36 4.720 -23.317 7.438 1.00 72.22 ATOM 601 NE ARG 36 4.111 -24.104 5.610 1.00 2.23 ATOM 602 HE ARG 36 3.332 -24.510 5.177 1.00 31.12 ATOM 603 CZ ARG 36 4.994 -23.511 4.859 1.00 65.22 ATOM 604 NH1 ARG 36 6.038 -22.956 5.382 1.00 41.30 ATOM 605 HH11 ARG 36 6.172 -22.979 6.367 1.00 44.32 ATOM 606 HH12 ARG 36 6.702 -22.497 4.796 1.00 3.12 ATOM 607 NH2 ARG 36 4.827 -23.471 3.581 1.00 1.30 ATOM 608 HH21 ARG 36 4.017 -23.890 3.173 1.00 73.43 ATOM 609 HH22 ARG 36 5.505 -23.021 3.004 1.00 21.44 ATOM 610 C ARG 36 0.832 -25.420 9.862 1.00 61.44 ATOM 611 O ARG 36 -0.071 -25.587 9.043 1.00 63.22 ATOM 612 N LYS 37 1.212 -26.364 10.722 1.00 24.11 ATOM 613 HN LYS 37 1.990 -26.196 11.295 1.00 38.50 ATOM 614 CA LYS 37 0.514 -27.653 10.828 1.00 52.23 ATOM 615 HA LYS 37 0.597 -28.151 9.872 1.00 1.35 ATOM 616 CB LYS 37 1.189 -28.523 11.911 1.00 43.14 ATOM 617 HB1 LYS 37 1.065 -28.038 12.870 1.00 38.50 ATOM 618 HB2 LYS 37 2.246 -28.580 11.693 1.00 4.43 ATOM 619 CG LYS 37 0.658 -29.956 12.036 1.00 32.21 ATOM 620 HG1 LYS 37 1.463 -30.593 12.380 1.00 38.50 ATOM 621 HG2 LYS 37 0.331 -30.292 11.062 1.00 61.05 ATOM 622 CD LYS 37 -0.516 -30.069 13.016 1.00 74.22 ATOM 623 HD1 LYS 37 -1.403 -29.661 12.551 1.00 38.50 ATOM 624 HD2 LYS 37 -0.285 -29.506 13.909 1.00 51.40 ATOM 625 CE LYS 37 -0.780 -31.523 13.403 1.00 41.11 ATOM 626 HE1 LYS 37 0.119 -31.927 13.846 1.00 38.50 ATOM 627 HE2 LYS 37 -1.019 -32.080 12.512 1.00 64.42 ATOM 628 NZ LYS 37 -1.904 -31.671 14.373 1.00 3.23 ATOM 629 HZ1 LYS 37 -2.804 -31.394 13.934 1.00 15.43 ATOM 630 HZ2 LYS 37 -1.746 -31.073 15.210 1.00 43.45 ATOM 631 HZ3 LYS 37 -1.980 -32.664 14.684 1.00 54.43 ATOM 632 C LYS 37 -0.971 -27.428 11.143 1.00 74.11 ATOM 633 O LYS 37 -1.843 -28.120 10.619 1.00 71.24 ATOM 634 N ILE 38 -1.244 -26.436 11.991 1.00 4.34 ATOM 635 HN ILE 38 -0.501 -25.945 12.398 1.00 38.50 ATOM 636 CA ILE 38 -2.617 -26.049 12.330 1.00 51.31 ATOM 637 HA ILE 38 -3.131 -26.926 12.698 1.00 61.31 ATOM 638 CB ILE 38 -2.623 -24.968 13.444 1.00 32.14 ATOM 639 HB ILE 38 -2.139 -24.084 13.051 1.00 54.44 ATOM 640 CG1 ILE 38 -1.839 -25.453 14.675 1.00 31.32 ATOM 641 HG11 ILE 38 -1.874 -24.690 15.439 1.00 38.50 ATOM 642 HG12 ILE 38 -0.810 -25.623 14.395 1.00 31.41 ATOM 643 CG2 ILE 38 -4.049 -24.584 13.831 1.00 42.51 ATOM 644 HG21 ILE 38 -4.021 -23.827 14.602 1.00 2.14 ATOM 645 HG22 ILE 38 -4.570 -25.455 14.202 1.00 1.43 ATOM 646 HG23 ILE 38 -4.566 -24.197 12.966 1.00 73.12 ATOM 647 CD1 ILE 38 -2.368 -26.737 15.279 1.00 30.10 ATOM 648 HD11 ILE 38 -3.396 -26.598 15.576 1.00 32.42 ATOM 649 HD12 ILE 38 -1.777 -26.999 16.145 1.00 61.14 ATOM 650 HD13 ILE 38 -2.309 -27.532 14.550 1.00 22.42 ATOM 651 C ILE 38 -3.359 -25.513 11.092 1.00 1.55 ATOM 652 O ILE 38 -4.509 -25.871 10.833 1.00 64.22 ATOM 653 N ALA 39 -2.678 -24.661 10.324 1.00 31.14 ATOM 654 HN ALA 39 -1.771 -24.404 10.595 1.00 38.50 ATOM 655 CA ALA 39 -3.238 -24.095 9.092 1.00 1.34 ATOM 656 HA ALA 39 -4.167 -23.602 9.345 1.00 21.23 ATOM 657 CB ALA 39 -2.288 -23.044 8.523 1.00 74.22 ATOM 658 HB1 ALA 39 -1.356 -23.513 8.241 1.00 50.21 ATOM 659 HB2 ALA 39 -2.097 -22.288 9.271 1.00 23.34 ATOM 660 HB3 ALA 39 -2.734 -22.582 7.652 1.00 12.32 ATOM 661 C ALA 39 -3.523 -25.185 8.044 1.00 51.31 ATOM 662 O ALA 39 -4.540 -25.141 7.349 1.00 71.43 ATOM 663 N GLU 40 -2.623 -26.165 7.944 1.00 73.22 ATOM 664 HN GLU 40 -1.829 -26.138 8.521 1.00 38.50 ATOM 665 CA GLU 40 -2.777 -27.277 6.995 1.00 72.33 ATOM 666 HA GLU 40 -2.973 -26.849 6.022 1.00 4.23 ATOM 667 CB GLU 40 -1.483 -28.102 6.916 1.00 14.32 ATOM 668 HB1 GLU 40 -1.639 -28.928 6.235 1.00 38.50 ATOM 669 HB2 GLU 40 -1.265 -28.498 7.898 1.00 21.14 ATOM 670 CG GLU 40 -0.267 -27.312 6.437 1.00 42.10 ATOM 671 HG1 GLU 40 -0.068 -26.517 7.143 1.00 38.50 ATOM 672 HG2 GLU 40 -0.490 -26.882 5.471 1.00 23.02 ATOM 673 CD GLU 40 0.983 -28.173 6.313 1.00 21.21 ATOM 674 OE1 GLU 40 1.423 -28.439 5.172 1.00 11.22 ATOM 675 OE2 GLU 40 1.518 -28.604 7.354 1.00 45.12 ATOM 676 C GLU 40 -3.956 -28.191 7.371 1.00 51.24 ATOM 677 O GLU 40 -4.455 -28.947 6.538 1.00 34.42 ATOM 678 N LEU 41 -4.392 -28.123 8.630 1.00 71.51 ATOM 679 HN LEU 41 -3.916 -27.553 9.269 1.00 38.50 ATOM 680 CA LEU 41 -5.564 -28.882 9.085 1.00 30.22 ATOM 681 HA LEU 41 -5.487 -29.882 8.682 1.00 24.11 ATOM 682 CB LEU 41 -5.591 -28.964 10.618 1.00 35.13 ATOM 683 HB1 LEU 41 -6.502 -29.466 10.915 1.00 38.50 ATOM 684 HB2 LEU 41 -5.613 -27.956 11.008 1.00 31.33 ATOM 685 CG LEU 41 -4.406 -29.704 11.257 1.00 64.34 ATOM 686 HG LEU 41 -3.490 -29.204 10.976 1.00 43.42 ATOM 687 CD1 LEU 41 -4.505 -29.669 12.780 1.00 4.30 ATOM 688 HD11 LEU 41 -3.679 -30.219 13.208 1.00 53.24 ATOM 689 HD12 LEU 41 -5.436 -30.118 13.093 1.00 74.13 ATOM 690 HD13 LEU 41 -4.468 -28.644 13.121 1.00 45.41 ATOM 691 CD2 LEU 41 -4.331 -31.143 10.750 1.00 42.40 ATOM 692 HD21 LEU 41 -3.465 -31.631 11.175 1.00 2.51 ATOM 693 HD22 LEU 41 -4.248 -31.143 9.672 1.00 53.34 ATOM 694 HD23 LEU 41 -5.224 -31.677 11.041 1.00 14.21 ATOM 695 C LEU 41 -6.867 -28.248 8.580 1.00 51.44 ATOM 696 O LEU 41 -7.938 -28.846 8.671 1.00 71.30 ATOM 697 N MET 42 -6.767 -27.028 8.053 1.00 53.15 ATOM 698 HN MET 42 -5.885 -26.600 8.013 1.00 38.50 ATOM 699 CA MET 42 -7.933 -26.307 7.536 1.00 53.34 ATOM 700 HA MET 42 -8.825 -26.777 7.926 1.00 51.55 ATOM 701 CB MET 42 -7.900 -24.846 7.995 1.00 64.45 ATOM 702 HB1 MET 42 -8.828 -24.373 7.706 1.00 38.50 ATOM 703 HB2 MET 42 -7.086 -24.343 7.492 1.00 13.51 ATOM 704 CG MET 42 -7.714 -24.643 9.487 1.00 12.13 ATOM 705 HG1 MET 42 -6.798 -25.123 9.797 1.00 38.50 ATOM 706 HG2 MET 42 -8.549 -25.085 10.010 1.00 11.40 ATOM 707 SD MET 42 -7.623 -22.892 9.909 1.00 40.44 ATOM 708 CE MET 42 -7.321 -22.978 11.669 1.00 74.23 ATOM 709 HE1 MET 42 -6.390 -23.495 11.854 1.00 72.01 ATOM 710 HE2 MET 42 -8.131 -23.511 12.145 1.00 63.13 ATOM 711 HE3 MET 42 -7.265 -21.978 12.074 1.00 64.12 ATOM 712 C MET 42 -7.978 -26.332 5.997 1.00 53.33 ATOM 713 O MET 42 -7.289 -25.539 5.344 1.00 1.03 ATOM 714 N PRO 43 -8.796 -27.218 5.392 1.00 44.02 ATOM 715 CA PRO 43 -8.962 -27.264 3.924 1.00 61.01 ATOM 716 HA PRO 43 -8.032 -27.513 3.431 1.00 63.05 ATOM 717 CB PRO 43 -9.983 -28.397 3.708 1.00 31.22 ATOM 718 HB1 PRO 43 -9.464 -29.295 3.401 1.00 38.50 ATOM 719 HB2 PRO 43 -10.694 -28.111 2.945 1.00 32.23 ATOM 720 CG PRO 43 -10.650 -28.582 5.034 1.00 70.32 ATOM 721 HG1 PRO 43 -10.969 -29.610 5.147 1.00 38.50 ATOM 722 HG2 PRO 43 -11.497 -27.915 5.118 1.00 74.35 ATOM 723 CD PRO 43 -9.612 -28.240 6.070 1.00 54.01 ATOM 724 HD1 PRO 43 -9.018 -29.108 6.315 1.00 38.50 ATOM 725 HD2 PRO 43 -10.079 -27.836 6.958 1.00 44.31 ATOM 726 C PRO 43 -9.489 -25.931 3.363 1.00 74.32 ATOM 727 O PRO 43 -9.019 -25.441 2.336 1.00 1.41 ATOM 728 N GLY 44 -10.459 -25.346 4.060 1.00 74.15 ATOM 729 HN GLY 44 -10.832 -25.810 4.835 1.00 38.50 ATOM 730 CA GLY 44 -10.983 -24.040 3.681 1.00 20.25 ATOM 731 HA1 GLY 44 -11.862 -24.182 3.070 1.00 38.50 ATOM 732 HA2 GLY 44 -10.235 -23.515 3.101 1.00 62.34 ATOM 733 C GLY 44 -11.356 -23.189 4.892 1.00 74.03 ATOM 734 O GLY 44 -12.454 -23.315 5.430 1.00 52.24 ATOM 735 N ALA 45 -10.437 -22.329 5.329 1.00 43.53 ATOM 736 HN ALA 45 -9.586 -22.258 4.847 1.00 38.50 ATOM 737 CA ALA 45 -10.665 -21.474 6.504 1.00 13.12 ATOM 738 HA ALA 45 -11.724 -21.246 6.550 1.00 41.52 ATOM 739 CB ALA 45 -10.286 -22.216 7.783 1.00 20.24 ATOM 740 HB1 ALA 45 -10.504 -21.597 8.642 1.00 12.43 ATOM 741 HB2 ALA 45 -9.230 -22.448 7.769 1.00 23.24 ATOM 742 HB3 ALA 45 -10.853 -23.134 7.851 1.00 2.01 ATOM 743 C ALA 45 -9.879 -20.159 6.396 1.00 51.32 ATOM 744 O ALA 45 -8.647 -20.147 6.491 1.00 71.51 ATOM 745 N SER 46 -10.598 -19.058 6.189 1.00 14.31 ATOM 746 HN SER 46 -11.576 -19.135 6.131 1.00 38.50 ATOM 747 CA SER 46 -9.976 -17.733 6.036 1.00 12.35 ATOM 748 HA SER 46 -9.000 -17.872 5.587 1.00 43.33 ATOM 749 CB SER 46 -10.829 -16.855 5.109 1.00 34.42 ATOM 750 HB1 SER 46 -11.006 -17.382 4.182 1.00 38.50 ATOM 751 HB2 SER 46 -10.302 -15.935 4.902 1.00 31.01 ATOM 752 OG SER 46 -12.081 -16.538 5.701 1.00 33.24 ATOM 753 HG SER 46 -12.718 -17.241 5.510 1.00 32.04 ATOM 754 C SER 46 -9.796 -17.031 7.390 1.00 64.11 ATOM 755 O SER 46 -9.985 -17.636 8.449 1.00 12.25 ATOM 756 N GLY 47 -9.427 -15.747 7.348 1.00 50.14 ATOM 757 HN GLY 47 -9.282 -15.320 6.476 1.00 38.50 ATOM 758 CA GLY 47 -9.222 -14.974 8.573 1.00 53.44 ATOM 759 HA1 GLY 47 -9.042 -13.942 8.303 1.00 38.50 ATOM 760 HA2 GLY 47 -8.347 -15.355 9.077 1.00 10.31 ATOM 761 C GLY 47 -10.405 -15.029 9.542 1.00 24.04 ATOM 762 O GLY 47 -10.217 -14.994 10.761 1.00 32.13 ATOM 763 N ALA 48 -11.623 -15.121 9.002 1.00 70.22 ATOM 764 HN ALA 48 -11.709 -15.114 8.026 1.00 38.50 ATOM 765 CA ALA 48 -12.839 -15.217 9.823 1.00 35.24 ATOM 766 HA ALA 48 -12.901 -14.324 10.431 1.00 3.21 ATOM 767 CB ALA 48 -14.074 -15.261 8.928 1.00 34.00 ATOM 768 HB1 ALA 48 -14.086 -14.392 8.286 1.00 32.42 ATOM 769 HB2 ALA 48 -14.965 -15.266 9.540 1.00 45.14 ATOM 770 HB3 ALA 48 -14.049 -16.156 8.322 1.00 71.14 ATOM 771 C ALA 48 -12.810 -16.444 10.748 1.00 62.32 ATOM 772 O ALA 48 -13.183 -16.360 11.918 1.00 52.13 ATOM 773 N GLU 49 -12.365 -17.581 10.217 1.00 13.43 ATOM 774 HN GLU 49 -12.088 -17.591 9.277 1.00 38.50 ATOM 775 CA GLU 49 -12.277 -18.819 11.003 1.00 63.41 ATOM 776 HA GLU 49 -13.164 -18.880 11.621 1.00 10.13 ATOM 777 CB GLU 49 -12.237 -20.043 10.078 1.00 24.33 ATOM 778 HB1 GLU 49 -12.217 -20.939 10.685 1.00 38.50 ATOM 779 HB2 GLU 49 -11.335 -20.003 9.483 1.00 25.55 ATOM 780 CG GLU 49 -13.430 -20.135 9.131 1.00 53.20 ATOM 781 HG1 GLU 49 -13.343 -21.044 8.551 1.00 38.50 ATOM 782 HG2 GLU 49 -13.407 -19.286 8.463 1.00 53.12 ATOM 783 CD GLU 49 -14.768 -20.147 9.858 1.00 2.34 ATOM 784 OE1 GLU 49 -15.207 -21.234 10.293 1.00 14.32 ATOM 785 OE2 GLU 49 -15.392 -19.071 9.987 1.00 4.11 ATOM 786 C GLU 49 -11.048 -18.806 11.918 1.00 20.05 ATOM 787 O GLU 49 -11.118 -19.219 13.077 1.00 13.11 ATOM 788 N VAL 50 -9.923 -18.317 11.392 1.00 21.44 ATOM 789 HN VAL 50 -9.919 -18.048 10.447 1.00 38.50 ATOM 790 CA VAL 50 -8.694 -18.172 12.182 1.00 41.44 ATOM 791 HA VAL 50 -8.388 -19.160 12.499 1.00 24.13 ATOM 792 CB VAL 50 -7.550 -17.556 11.330 1.00 75.40 ATOM 793 HB VAL 50 -7.881 -16.592 10.967 1.00 40.24 ATOM 794 CG1 VAL 50 -6.296 -17.337 12.174 1.00 3.32 ATOM 795 HG11 VAL 50 -5.978 -18.277 12.602 1.00 65.33 ATOM 796 HG12 VAL 50 -6.513 -16.636 12.967 1.00 55.32 ATOM 797 HG13 VAL 50 -5.506 -16.940 11.552 1.00 52.10 ATOM 798 CG2 VAL 50 -7.239 -18.440 10.116 1.00 72.25 ATOM 799 HG21 VAL 50 -8.124 -18.536 9.503 1.00 52.32 ATOM 800 HG22 VAL 50 -6.928 -19.420 10.450 1.00 51.33 ATOM 801 HG23 VAL 50 -6.446 -17.994 9.531 1.00 41.52 ATOM 802 C VAL 50 -8.943 -17.304 13.435 1.00 30.11 ATOM 803 O VAL 50 -8.353 -17.531 14.499 1.00 72.04 ATOM 804 N LYS 51 -9.830 -16.318 13.297 1.00 22.30 ATOM 805 HN LYS 51 -10.205 -16.143 12.406 1.00 38.50 ATOM 806 CA LYS 51 -10.264 -15.483 14.424 1.00 64.23 ATOM 807 HA LYS 51 -9.407 -14.933 14.785 1.00 61.35 ATOM 808 CB LYS 51 -11.340 -14.492 13.956 1.00 13.11 ATOM 809 HB1 LYS 51 -12.189 -15.051 13.587 1.00 38.50 ATOM 810 HB2 LYS 51 -10.936 -13.899 13.147 1.00 11.31 ATOM 811 CG LYS 51 -11.830 -13.540 15.047 1.00 61.44 ATOM 812 HG1 LYS 51 -11.038 -12.843 15.285 1.00 38.50 ATOM 813 HG2 LYS 51 -12.080 -14.114 15.927 1.00 22.02 ATOM 814 CD LYS 51 -13.066 -12.755 14.606 1.00 73.54 ATOM 815 HD1 LYS 51 -13.332 -12.055 15.387 1.00 38.50 ATOM 816 HD2 LYS 51 -13.883 -13.445 14.451 1.00 22.23 ATOM 817 CE LYS 51 -12.824 -11.982 13.315 1.00 30.34 ATOM 818 HE1 LYS 51 -12.530 -12.676 12.541 1.00 38.50 ATOM 819 HE2 LYS 51 -12.028 -11.270 13.479 1.00 24.11 ATOM 820 NZ LYS 51 -14.040 -11.251 12.870 1.00 21.33 ATOM 821 HZ1 LYS 51 -14.855 -11.896 12.840 1.00 20.44 ATOM 822 HZ2 LYS 51 -13.890 -10.859 11.917 1.00 24.12 ATOM 823 HZ3 LYS 51 -14.251 -10.471 13.522 1.00 43.15 ATOM 824 C LYS 51 -10.823 -16.344 15.567 1.00 54.22 ATOM 825 O LYS 51 -10.438 -16.189 16.730 1.00 3.42 ATOM 826 N GLY 52 -11.733 -17.254 15.225 1.00 2.22 ATOM 827 HN GLY 52 -12.015 -17.323 14.285 1.00 38.50 ATOM 828 CA GLY 52 -12.318 -18.143 16.218 1.00 62.54 ATOM 829 HA1 GLY 52 -13.135 -18.682 15.761 1.00 38.50 ATOM 830 HA2 GLY 52 -12.710 -17.549 17.032 1.00 32.54 ATOM 831 C GLY 52 -11.322 -19.151 16.780 1.00 70.55 ATOM 832 O GLY 52 -11.213 -19.305 17.993 1.00 20.34 ATOM 833 N VAL 53 -10.577 -19.815 15.896 1.00 1.14 ATOM 834 HN VAL 53 -10.675 -19.602 14.942 1.00 38.50 ATOM 835 CA VAL 53 -9.623 -20.864 16.300 1.00 3.15 ATOM 836 HA VAL 53 -10.196 -21.690 16.700 1.00 43.05 ATOM 837 CB VAL 53 -8.820 -21.386 15.079 1.00 71.34 ATOM 838 HB VAL 53 -8.291 -20.550 14.641 1.00 72.11 ATOM 839 CG1 VAL 53 -7.784 -22.431 15.502 1.00 11.01 ATOM 840 HG11 VAL 53 -7.251 -22.785 14.630 1.00 62.43 ATOM 841 HG12 VAL 53 -8.281 -23.263 15.980 1.00 15.32 ATOM 842 HG13 VAL 53 -7.082 -21.987 16.194 1.00 1.30 ATOM 843 CG2 VAL 53 -9.767 -21.955 14.023 1.00 73.24 ATOM 844 HG21 VAL 53 -10.324 -22.781 14.443 1.00 54.45 ATOM 845 HG22 VAL 53 -9.199 -22.302 13.174 1.00 65.23 ATOM 846 HG23 VAL 53 -10.455 -21.186 13.703 1.00 41.33 ATOM 847 C VAL 53 -8.640 -20.380 17.382 1.00 72.32 ATOM 848 O VAL 53 -8.483 -21.025 18.419 1.00 21.50 ATOM 849 N CYS 54 -7.987 -19.246 17.140 1.00 54.24 ATOM 850 HN CYS 54 -8.145 -18.776 16.292 1.00 38.50 ATOM 851 CA CYS 54 -7.034 -18.684 18.112 1.00 71.51 ATOM 852 HA CYS 54 -6.255 -19.416 18.270 1.00 24.52 ATOM 853 CB CYS 54 -6.405 -17.400 17.563 1.00 21.13 ATOM 854 HB1 CYS 54 -5.924 -17.618 16.620 1.00 38.50 ATOM 855 HB2 CYS 54 -5.665 -17.039 18.263 1.00 41.02 ATOM 856 SG CYS 54 -7.589 -16.063 17.281 1.00 22.32 ATOM 857 HG CYS 54 -8.380 -16.423 16.279 1.00 3.44 ATOM 858 C CYS 54 -7.714 -18.389 19.460 1.00 21.40 ATOM 859 O CYS 54 -7.144 -18.630 20.524 1.00 53.35 ATOM 860 N THR 55 -8.940 -17.873 19.404 1.00 41.34 ATOM 861 HN THR 55 -9.336 -17.689 18.527 1.00 38.50 ATOM 862 CA THR 55 -9.715 -17.563 20.615 1.00 3.24 ATOM 863 HA THR 55 -9.098 -16.948 21.256 1.00 22.33 ATOM 864 CB THR 55 -10.998 -16.766 20.272 1.00 33.34 ATOM 865 HB THR 55 -11.621 -17.374 19.631 1.00 34.54 ATOM 866 OG1 THR 55 -10.651 -15.557 19.573 1.00 51.33 ATOM 867 HG1 THR 55 -10.900 -15.644 18.642 1.00 15.04 ATOM 868 CG2 THR 55 -11.789 -16.414 21.530 1.00 72.42 ATOM 869 HG21 THR 55 -12.085 -17.322 22.039 1.00 43.41 ATOM 870 HG22 THR 55 -12.670 -15.854 21.255 1.00 23.43 ATOM 871 HG23 THR 55 -11.174 -15.817 22.188 1.00 3.45 ATOM 872 C THR 55 -10.106 -18.838 21.376 1.00 50.33 ATOM 873 O THR 55 -9.945 -18.919 22.595 1.00 50.52 ATOM 874 N GLU 56 -10.609 -19.836 20.649 1.00 15.11 ATOM 875 HN GLU 56 -10.715 -19.713 19.684 1.00 38.50 ATOM 876 CA GLU 56 -11.006 -21.114 21.251 1.00 63.55 ATOM 877 HA GLU 56 -11.707 -20.898 22.046 1.00 14.43 ATOM 878 CB GLU 56 -11.694 -22.006 20.209 1.00 51.12 ATOM 879 HB1 GLU 56 -12.008 -22.923 20.687 1.00 38.50 ATOM 880 HB2 GLU 56 -10.979 -22.246 19.433 1.00 5.13 ATOM 881 CG GLU 56 -12.915 -21.366 19.550 1.00 61.53 ATOM 882 HG1 GLU 56 -13.320 -22.062 18.826 1.00 38.50 ATOM 883 HG2 GLU 56 -12.600 -20.469 19.038 1.00 33.52 ATOM 884 CD GLU 56 -14.015 -20.997 20.537 1.00 2.31 ATOM 885 OE1 GLU 56 -14.876 -21.855 20.821 1.00 50.33 ATOM 886 OE2 GLU 56 -14.035 -19.843 21.021 1.00 71.52 ATOM 887 C GLU 56 -9.791 -21.835 21.853 1.00 53.14 ATOM 888 O GLU 56 -9.897 -22.490 22.891 1.00 44.20 ATOM 889 N ALA 57 -8.635 -21.701 21.200 1.00 21.11 ATOM 890 HN ALA 57 -8.629 -21.253 20.327 1.00 38.50 ATOM 891 CA ALA 57 -7.376 -22.217 21.748 1.00 5.02 ATOM 892 HA ALA 57 -7.470 -23.290 21.854 1.00 32.34 ATOM 893 CB ALA 57 -6.220 -21.930 20.795 1.00 23.23 ATOM 894 HB1 ALA 57 -6.409 -22.408 19.845 1.00 24.20 ATOM 895 HB2 ALA 57 -5.300 -22.314 21.213 1.00 31.14 ATOM 896 HB3 ALA 57 -6.128 -20.862 20.646 1.00 43.23 ATOM 897 C ALA 57 -7.099 -21.601 23.125 1.00 64.14 ATOM 898 O ALA 57 -6.652 -22.283 24.048 1.00 64.31 ATOM 899 N GLY 58 -7.376 -20.303 23.252 1.00 24.01 ATOM 900 HN GLY 58 -7.630 -19.786 22.456 1.00 38.50 ATOM 901 CA GLY 58 -7.292 -19.640 24.547 1.00 72.33 ATOM 902 HA1 GLY 58 -7.537 -18.595 24.421 1.00 38.50 ATOM 903 HA2 GLY 58 -6.279 -19.719 24.916 1.00 13.32 ATOM 904 C GLY 58 -8.243 -20.245 25.575 1.00 33.34 ATOM 905 O GLY 58 -7.919 -20.329 26.757 1.00 13.04 ATOM 906 N MET 59 -9.421 -20.672 25.123 1.00 43.43 ATOM 907 HN MET 59 -9.642 -20.533 24.178 1.00 38.50 ATOM 908 CA MET 59 -10.389 -21.342 26.000 1.00 61.53 ATOM 909 HA MET 59 -10.594 -20.682 26.830 1.00 0.41 ATOM 910 CB MET 59 -11.699 -21.621 25.245 1.00 25.34 ATOM 911 HB1 MET 59 -12.402 -22.070 25.933 1.00 38.50 ATOM 912 HB2 MET 59 -11.497 -22.324 24.449 1.00 54.03 ATOM 913 CG MET 59 -12.359 -20.385 24.634 1.00 70.20 ATOM 914 HG1 MET 59 -12.901 -20.687 23.749 1.00 38.50 ATOM 915 HG2 MET 59 -11.587 -19.684 24.354 1.00 75.13 ATOM 916 SD MET 59 -13.514 -19.545 25.749 1.00 41.42 ATOM 917 CE MET 59 -12.418 -18.897 27.014 1.00 41.34 ATOM 918 HE1 MET 59 -11.659 -18.280 26.554 1.00 4.34 ATOM 919 HE2 MET 59 -11.947 -19.715 27.540 1.00 11.01 ATOM 920 HE3 MET 59 -12.988 -18.304 27.713 1.00 43.52 ATOM 921 C MET 59 -9.812 -22.658 26.548 1.00 15.40 ATOM 922 O MET 59 -9.888 -22.930 27.749 1.00 1.42 ATOM 923 N TYR 60 -9.238 -23.466 25.654 1.00 34.13 ATOM 924 HN TYR 60 -9.255 -23.213 24.706 1.00 38.50 ATOM 925 CA TYR 60 -8.576 -24.718 26.041 1.00 33.50 ATOM 926 HA TYR 60 -9.316 -25.345 26.522 1.00 23.21 ATOM 927 CB TYR 60 -8.040 -25.443 24.800 1.00 24.45 ATOM 928 HB1 TYR 60 -7.364 -26.227 25.113 1.00 38.50 ATOM 929 HB2 TYR 60 -7.496 -24.738 24.187 1.00 62.25 ATOM 930 CG TYR 60 -9.118 -26.075 23.939 1.00 65.41 ATOM 931 CD1 TYR 60 -9.542 -25.473 22.759 1.00 43.15 ATOM 932 HD1 TYR 60 -9.095 -24.536 22.458 1.00 1.01 ATOM 933 CD2 TYR 60 -9.707 -27.281 24.306 1.00 2.15 ATOM 934 HD2 TYR 60 -9.391 -27.763 25.222 1.00 53.04 ATOM 935 CE1 TYR 60 -10.520 -26.051 21.973 1.00 63.34 ATOM 936 HE1 TYR 60 -10.834 -25.567 21.061 1.00 64.15 ATOM 937 CE2 TYR 60 -10.687 -27.863 23.525 1.00 32.25 ATOM 938 HE2 TYR 60 -11.130 -28.801 23.829 1.00 13.54 ATOM 939 CZ TYR 60 -11.086 -27.247 22.359 1.00 1.20 ATOM 940 OH TYR 60 -12.055 -27.833 21.573 1.00 43.14 ATOM 941 HH TYR 60 -11.750 -27.862 20.657 1.00 44.50 ATOM 942 C TYR 60 -7.431 -24.462 27.032 1.00 34.41 ATOM 943 O TYR 60 -7.255 -25.199 28.006 1.00 62.15 ATOM 944 N ALA 61 -6.660 -23.409 26.783 1.00 73.42 ATOM 945 HN ALA 61 -6.802 -22.896 25.958 1.00 38.50 ATOM 946 CA ALA 61 -5.582 -23.018 27.688 1.00 50.41 ATOM 947 HA ALA 61 -4.937 -23.878 27.823 1.00 1.33 ATOM 948 CB ALA 61 -4.752 -21.899 27.064 1.00 64.13 ATOM 949 HB1 ALA 61 -5.371 -21.026 26.922 1.00 14.24 ATOM 950 HB2 ALA 61 -4.366 -22.226 26.108 1.00 21.14 ATOM 951 HB3 ALA 61 -3.928 -21.651 27.718 1.00 2.32 ATOM 952 C ALA 61 -6.124 -22.588 29.064 1.00 72.52 ATOM 953 O ALA 61 -5.764 -23.160 30.095 1.00 11.41 ATOM 954 N LEU 62 -7.012 -21.592 29.067 1.00 54.41 ATOM 955 HN LEU 62 -7.302 -21.222 28.209 1.00 38.50 ATOM 956 CA LEU 62 -7.561 -21.027 30.307 1.00 34.45 ATOM 957 HA LEU 62 -6.732 -20.610 30.861 1.00 33.24 ATOM 958 CB LEU 62 -8.550 -19.893 29.993 1.00 22.11 ATOM 959 HB1 LEU 62 -9.012 -19.581 30.919 1.00 38.50 ATOM 960 HB2 LEU 62 -9.320 -20.287 29.344 1.00 42.40 ATOM 961 CG LEU 62 -7.939 -18.649 29.320 1.00 53.01 ATOM 962 HG LEU 62 -7.507 -18.939 28.373 1.00 75.24 ATOM 963 CD1 LEU 62 -9.017 -17.603 29.039 1.00 74.04 ATOM 964 HD11 LEU 62 -9.487 -17.310 29.966 1.00 41.24 ATOM 965 HD12 LEU 62 -9.761 -18.022 28.376 1.00 75.42 ATOM 966 HD13 LEU 62 -8.570 -16.737 28.572 1.00 10.33 ATOM 967 CD2 LEU 62 -6.823 -18.060 30.184 1.00 45.51 ATOM 968 HD21 LEU 62 -7.219 -17.790 31.153 1.00 13.12 ATOM 969 HD22 LEU 62 -6.420 -17.181 29.704 1.00 61.43 ATOM 970 HD23 LEU 62 -6.037 -18.792 30.309 1.00 0.01 ATOM 971 C LEU 62 -8.243 -22.085 31.193 1.00 52.51 ATOM 972 O LEU 62 -8.100 -22.050 32.417 1.00 0.23 ATOM 973 N ARG 63 -8.980 -23.023 30.592 1.00 40.13 ATOM 974 HN ARG 63 -9.077 -23.007 29.613 1.00 38.50 ATOM 975 CA ARG 63 -9.658 -24.074 31.372 1.00 55.23 ATOM 976 HA ARG 63 -10.294 -23.578 32.095 1.00 73.31 ATOM 977 CB ARG 63 -10.539 -24.956 30.471 1.00 50.22 ATOM 978 HB1 ARG 63 -11.224 -24.318 29.927 1.00 38.50 ATOM 979 HB2 ARG 63 -11.112 -25.628 31.094 1.00 3.12 ATOM 980 CG ARG 63 -9.765 -25.793 29.459 1.00 23.45 ATOM 981 HG1 ARG 63 -9.120 -26.480 29.991 1.00 38.50 ATOM 982 HG2 ARG 63 -9.164 -25.134 28.850 1.00 34.21 ATOM 983 CD ARG 63 -10.695 -26.588 28.550 1.00 73.51 ATOM 984 HD1 ARG 63 -11.267 -27.280 29.154 1.00 38.50 ATOM 985 HD2 ARG 63 -10.098 -27.141 27.839 1.00 32.31 ATOM 986 NE ARG 63 -11.616 -25.717 27.821 1.00 11.04 ATOM 987 HE ARG 63 -11.640 -24.772 28.073 1.00 11.23 ATOM 988 CZ ARG 63 -12.418 -26.115 26.870 1.00 2.55 ATOM 989 NH1 ARG 63 -12.409 -27.345 26.465 1.00 20.24 ATOM 990 HH11 ARG 63 -11.781 -28.004 26.875 1.00 33.43 ATOM 991 HH12 ARG 63 -13.038 -27.634 25.748 1.00 15.11 ATOM 992 NH2 ARG 63 -13.220 -25.270 26.313 1.00 71.13 ATOM 993 HH21 ARG 63 -13.224 -24.316 26.607 1.00 24.12 ATOM 994 HH22 ARG 63 -13.842 -25.573 25.591 1.00 0.51 ATOM 995 C ARG 63 -8.646 -24.941 32.139 1.00 43.21 ATOM 996 O ARG 63 -8.929 -25.415 33.240 1.00 22.33 ATOM 997 N GLU 64 -7.462 -25.129 31.552 1.00 4.33 ATOM 998 HN GLU 64 -7.315 -24.767 30.649 1.00 38.50 ATOM 999 CA GLU 64 -6.374 -25.867 32.207 1.00 54.43 ATOM 1000 HA GLU 64 -6.807 -26.451 33.006 1.00 3.33 ATOM 1001 CB GLU 64 -5.697 -26.819 31.214 1.00 61.20 ATOM 1002 HB1 GLU 64 -4.833 -27.262 31.689 1.00 38.50 ATOM 1003 HB2 GLU 64 -5.371 -26.251 30.355 1.00 42.44 ATOM 1004 CG GLU 64 -6.601 -27.945 30.726 1.00 53.42 ATOM 1005 HG1 GLU 64 -7.409 -27.514 30.150 1.00 38.50 ATOM 1006 HG2 GLU 64 -7.008 -28.459 31.583 1.00 62.43 ATOM 1007 CD GLU 64 -5.868 -28.957 29.863 1.00 64.30 ATOM 1008 OE1 GLU 64 -6.410 -29.362 28.816 1.00 50.34 ATOM 1009 OE2 GLU 64 -4.737 -29.353 30.233 1.00 53.42 ATOM 1010 C GLU 64 -5.331 -24.915 32.813 1.00 75.12 ATOM 1011 O GLU 64 -4.230 -25.332 33.175 1.00 2.45 ATOM 1012 N ARG 65 -5.695 -23.634 32.929 1.00 62.41 ATOM 1013 HN ARG 65 -6.580 -23.368 32.602 1.00 38.50 ATOM 1014 CA ARG 65 -4.827 -22.605 33.529 1.00 2.31 ATOM 1015 HA ARG 65 -5.364 -21.668 33.469 1.00 51.13 ATOM 1016 CB ARG 65 -4.554 -22.912 35.019 1.00 41.15 ATOM 1017 HB1 ARG 65 -3.869 -22.168 35.404 1.00 38.50 ATOM 1018 HB2 ARG 65 -4.085 -23.883 35.095 1.00 23.35 ATOM 1019 CG ARG 65 -5.803 -22.913 35.912 1.00 51.10 ATOM 1020 HG1 ARG 65 -6.403 -22.047 35.669 1.00 38.50 ATOM 1021 HG2 ARG 65 -5.494 -22.852 36.946 1.00 22.32 ATOM 1022 CD ARG 65 -6.655 -24.169 35.731 1.00 51.34 ATOM 1023 HD1 ARG 65 -6.067 -25.033 36.008 1.00 38.50 ATOM 1024 HD2 ARG 65 -6.939 -24.247 34.692 1.00 2.31 ATOM 1025 NE ARG 65 -7.867 -24.140 36.545 1.00 15.04 ATOM 1026 HE ARG 65 -8.057 -23.326 37.052 1.00 41.33 ATOM 1027 CZ ARG 65 -8.720 -25.127 36.622 1.00 60.43 ATOM 1028 NH1 ARG 65 -8.505 -26.238 35.998 1.00 43.02 ATOM 1029 HH11 ARG 65 -7.680 -26.354 35.450 1.00 14.34 ATOM 1030 HH12 ARG 65 -9.168 -26.980 36.063 1.00 43.24 ATOM 1031 NH2 ARG 65 -9.782 -24.999 37.342 1.00 72.42 ATOM 1032 HH21 ARG 65 -9.947 -24.149 37.839 1.00 22.22 ATOM 1033 HH22 ARG 65 -10.435 -25.745 37.397 1.00 41.43 ATOM 1034 C ARG 65 -3.496 -22.438 32.760 1.00 1.54 ATOM 1035 O ARG 65 -2.538 -21.860 33.280 1.00 30.24 ATOM 1036 N ARG 66 -3.452 -22.923 31.516 1.00 52.22 ATOM 1037 HN ARG 66 -4.249 -23.357 31.151 1.00 38.50 ATOM 1038 CA ARG 66 -2.251 -22.815 30.670 1.00 22.31 ATOM 1039 HA ARG 66 -1.408 -23.187 31.235 1.00 21.32 ATOM 1040 CB ARG 66 -2.409 -23.654 29.385 1.00 64.22 ATOM 1041 HB1 ARG 66 -1.487 -23.593 28.822 1.00 38.50 ATOM 1042 HB2 ARG 66 -3.202 -23.227 28.790 1.00 74.24 ATOM 1043 CG ARG 66 -2.732 -25.133 29.606 1.00 2.33 ATOM 1044 HG1 ARG 66 -3.644 -25.212 30.180 1.00 38.50 ATOM 1045 HG2 ARG 66 -1.919 -25.592 30.151 1.00 2.40 ATOM 1046 CD ARG 66 -2.916 -25.869 28.272 1.00 34.51 ATOM 1047 HD1 ARG 66 -1.990 -25.810 27.716 1.00 38.50 ATOM 1048 HD2 ARG 66 -3.699 -25.380 27.712 1.00 50.33 ATOM 1049 NE ARG 66 -3.275 -27.278 28.449 1.00 42.32 ATOM 1050 HE ARG 66 -3.485 -27.582 29.352 1.00 10.31 ATOM 1051 CZ ARG 66 -3.335 -28.153 27.476 1.00 33.40 ATOM 1052 NH1 ARG 66 -3.118 -27.812 26.248 1.00 35.20 ATOM 1053 HH11 ARG 66 -2.909 -26.862 26.018 1.00 61.23 ATOM 1054 HH12 ARG 66 -3.168 -28.503 25.529 1.00 61.20 ATOM 1055 NH2 ARG 66 -3.657 -29.375 27.728 1.00 13.41 ATOM 1056 HH21 ARG 66 -3.867 -29.653 28.664 1.00 1.21 ATOM 1057 HH22 ARG 66 -3.701 -30.040 26.982 1.00 62.21 ATOM 1058 C ARG 66 -1.984 -21.350 30.270 1.00 61.53 ATOM 1059 O ARG 66 -2.797 -20.734 29.581 1.00 14.12 ATOM 1060 N VAL 67 -0.854 -20.790 30.707 1.00 15.55 ATOM 1061 HN VAL 67 -0.288 -21.280 31.339 1.00 38.50 ATOM 1062 CA VAL 67 -0.453 -19.443 30.268 1.00 32.14 ATOM 1063 HA VAL 67 -1.351 -18.844 30.175 1.00 10.53 ATOM 1064 CB VAL 67 0.489 -18.751 31.288 1.00 31.44 ATOM 1065 HB VAL 67 1.424 -19.290 31.305 1.00 2.45 ATOM 1066 CG1 VAL 67 0.786 -17.310 30.866 1.00 22.14 ATOM 1067 HG11 VAL 67 1.461 -16.855 31.578 1.00 40.11 ATOM 1068 HG12 VAL 67 -0.134 -16.745 30.834 1.00 63.34 ATOM 1069 HG13 VAL 67 1.244 -17.306 29.887 1.00 33.21 ATOM 1070 CG2 VAL 67 -0.113 -18.797 32.692 1.00 3.45 ATOM 1071 HG21 VAL 67 -0.246 -19.826 32.995 1.00 3.33 ATOM 1072 HG22 VAL 67 -1.071 -18.297 32.690 1.00 43.45 ATOM 1073 HG23 VAL 67 0.549 -18.300 33.386 1.00 30.25 ATOM 1074 C VAL 67 0.236 -19.513 28.896 1.00 2.00 ATOM 1075 O VAL 67 -0.034 -18.706 28.007 1.00 41.51 ATOM 1076 N HIS 68 1.131 -20.490 28.732 1.00 71.14 ATOM 1077 HN HIS 68 1.384 -21.033 29.504 1.00 38.50 ATOM 1078 CA HIS 68 1.748 -20.760 27.428 1.00 65.02 ATOM 1079 HA HIS 68 1.807 -19.817 26.899 1.00 41.23 ATOM 1080 CB HIS 68 3.179 -21.317 27.592 1.00 32.22 ATOM 1081 HB1 HIS 68 3.802 -20.549 28.028 1.00 38.50 ATOM 1082 HB2 HIS 68 3.570 -21.572 26.618 1.00 12.34 ATOM 1083 CG HIS 68 3.282 -22.544 28.458 1.00 74.31 ATOM 1084 ND1 HIS 68 3.648 -22.500 29.786 1.00 31.54 ATOM 1085 HD1 HIS 68 3.885 -21.688 30.288 1.00 4.23 ATOM 1086 CD2 HIS 68 3.081 -23.856 28.177 1.00 23.42 ATOM 1087 HD2 HIS 68 2.779 -24.269 27.225 1.00 50.32 ATOM 1088 CE1 HIS 68 3.665 -23.720 30.283 1.00 5.01 ATOM 1089 HE1 HIS 68 3.911 -23.984 31.301 1.00 13.32 ATOM 1090 NE2 HIS 68 3.325 -24.559 29.330 1.00 43.35 ATOM 1091 HE2 HIS 68 3.147 -25.519 29.461 1.00 38.50 ATOM 1092 C HIS 68 0.877 -21.721 26.596 1.00 23.25 ATOM 1093 O HIS 68 0.749 -22.904 26.919 1.00 41.02 ATOM 1094 N VAL 69 0.261 -21.200 25.541 1.00 73.33 ATOM 1095 HN VAL 69 0.374 -20.246 25.350 1.00 38.50 ATOM 1096 CA VAL 69 -0.589 -22.007 24.659 1.00 60.14 ATOM 1097 HA VAL 69 -1.236 -22.608 25.283 1.00 11.10 ATOM 1098 CB VAL 69 -1.477 -21.109 23.757 1.00 22.40 ATOM 1099 HB VAL 69 -0.834 -20.605 23.048 1.00 61.21 ATOM 1100 CG1 VAL 69 -2.482 -21.947 22.969 1.00 44.44 ATOM 1101 HG11 VAL 69 -3.119 -22.489 23.654 1.00 41.02 ATOM 1102 HG12 VAL 69 -1.953 -22.649 22.340 1.00 34.04 ATOM 1103 HG13 VAL 69 -3.088 -21.299 22.352 1.00 40.55 ATOM 1104 CG2 VAL 69 -2.194 -20.045 24.588 1.00 0.32 ATOM 1105 HG21 VAL 69 -2.847 -20.524 25.306 1.00 53.05 ATOM 1106 HG22 VAL 69 -2.781 -19.412 23.937 1.00 43.41 ATOM 1107 HG23 VAL 69 -1.465 -19.443 25.111 1.00 60.14 ATOM 1108 C VAL 69 0.257 -22.943 23.776 1.00 60.12 ATOM 1109 O VAL 69 1.324 -22.561 23.286 1.00 23.31 ATOM 1110 N THR 70 -0.216 -24.172 23.582 1.00 73.21 ATOM 1111 HN THR 70 -1.090 -24.415 23.965 1.00 38.50 ATOM 1112 CA THR 70 0.523 -25.170 22.798 1.00 72.22 ATOM 1113 HA THR 70 1.500 -24.764 22.571 1.00 20.12 ATOM 1114 CB THR 70 0.723 -26.490 23.590 1.00 10.50 ATOM 1115 HB THR 70 1.450 -27.099 23.067 1.00 32.11 ATOM 1116 OG1 THR 70 -0.514 -27.218 23.682 1.00 55.42 ATOM 1117 HG1 THR 70 -1.162 -26.691 24.169 1.00 3.21 ATOM 1118 CG2 THR 70 1.249 -26.208 24.995 1.00 33.21 ATOM 1119 HG21 THR 70 1.374 -27.139 25.529 1.00 41.44 ATOM 1120 HG22 THR 70 0.545 -25.582 25.523 1.00 52.13 ATOM 1121 HG23 THR 70 2.201 -25.702 24.928 1.00 65.05 ATOM 1122 C THR 70 -0.191 -25.492 21.481 1.00 41.22 ATOM 1123 O THR 70 -1.332 -25.084 21.259 1.00 53.22 ATOM 1124 N GLN 71 0.494 -26.226 20.609 1.00 10.31 ATOM 1125 HN GLN 71 1.417 -26.477 20.824 1.00 38.50 ATOM 1126 CA GLN 71 -0.084 -26.673 19.334 1.00 34.20 ATOM 1127 HA GLN 71 -0.314 -25.795 18.746 1.00 15.20 ATOM 1128 CB GLN 71 0.946 -27.527 18.581 1.00 43.54 ATOM 1129 HB1 GLN 71 1.151 -28.414 19.163 1.00 38.50 ATOM 1130 HB2 GLN 71 1.860 -26.957 18.484 1.00 63.24 ATOM 1131 CG GLN 71 0.510 -27.962 17.184 1.00 45.12 ATOM 1132 HG1 GLN 71 0.367 -27.081 16.574 1.00 38.50 ATOM 1133 HG2 GLN 71 -0.423 -28.500 17.261 1.00 33.03 ATOM 1134 CD GLN 71 1.530 -28.863 16.507 1.00 33.14 ATOM 1135 OE1 GLN 71 2.234 -29.627 17.157 1.00 52.23 ATOM 1136 NE2 GLN 71 1.637 -28.766 15.197 1.00 5.40 ATOM 1137 HE21 GLN 71 1.065 -28.126 14.732 1.00 15.42 ATOM 1138 HE22 GLN 71 2.286 -29.347 14.748 1.00 64.43 ATOM 1139 C GLN 71 -1.375 -27.478 19.562 1.00 30.13 ATOM 1140 O GLN 71 -2.327 -27.390 18.781 1.00 40.11 ATOM 1141 N GLU 72 -1.388 -28.251 20.648 1.00 32.54 ATOM 1142 HN GLU 72 -0.580 -28.288 21.204 1.00 38.50 ATOM 1143 CA GLU 72 -2.553 -29.054 21.042 1.00 51.34 ATOM 1144 HA GLU 72 -2.711 -29.801 20.277 1.00 74.24 ATOM 1145 CB GLU 72 -2.253 -29.765 22.371 1.00 52.53 ATOM 1146 HB1 GLU 72 -1.874 -29.037 23.077 1.00 38.50 ATOM 1147 HB2 GLU 72 -1.489 -30.509 22.198 1.00 41.21 ATOM 1148 CG GLU 72 -3.456 -30.460 23.002 1.00 74.25 ATOM 1149 HG1 GLU 72 -3.861 -31.166 22.292 1.00 38.50 ATOM 1150 HG2 GLU 72 -4.208 -29.717 23.234 1.00 34.31 ATOM 1151 CD GLU 72 -3.096 -31.205 24.280 1.00 20.21 ATOM 1152 OE1 GLU 72 -2.882 -32.434 24.213 1.00 43.02 ATOM 1153 OE2 GLU 72 -3.001 -30.564 25.349 1.00 60.50 ATOM 1154 C GLU 72 -3.826 -28.201 21.176 1.00 4.34 ATOM 1155 O GLU 72 -4.881 -28.553 20.641 1.00 33.45 ATOM 1156 N ASP 73 -3.716 -27.076 21.879 1.00 43.22 ATOM 1157 HN ASP 73 -2.844 -26.835 22.260 1.00 38.50 ATOM 1158 CA ASP 73 -4.860 -26.187 22.102 1.00 20.50 ATOM 1159 HA ASP 73 -5.632 -26.761 22.594 1.00 0.15 ATOM 1160 CB ASP 73 -4.448 -25.026 23.015 1.00 14.44 ATOM 1161 HB1 ASP 73 -5.307 -24.395 23.198 1.00 38.50 ATOM 1162 HB2 ASP 73 -3.680 -24.442 22.523 1.00 40.02 ATOM 1163 CG ASP 73 -3.907 -25.505 24.353 1.00 65.32 ATOM 1164 OD1 ASP 73 -2.667 -25.593 24.507 1.00 72.32 ATOM 1165 OD2 ASP 73 -4.715 -25.810 25.252 1.00 31.05 ATOM 1166 C ASP 73 -5.419 -25.648 20.771 1.00 0.21 ATOM 1167 O ASP 73 -6.634 -25.580 20.573 1.00 11.34 ATOM 1168 N PHE 74 -4.520 -25.279 19.858 1.00 65.24 ATOM 1169 HN PHE 74 -3.565 -25.365 20.068 1.00 38.50 ATOM 1170 CA PHE 74 -4.919 -24.746 18.550 1.00 23.12 ATOM 1171 HA PHE 74 -5.603 -23.928 18.735 1.00 14.43 ATOM 1172 CB PHE 74 -3.703 -24.196 17.792 1.00 43.41 ATOM 1173 HB1 PHE 74 -3.939 -24.131 16.738 1.00 38.50 ATOM 1174 HB2 PHE 74 -2.869 -24.871 17.924 1.00 63.22 ATOM 1175 CG PHE 74 -3.272 -22.827 18.256 1.00 63.52 ATOM 1176 CD1 PHE 74 -2.303 -22.679 19.237 1.00 41.45 ATOM 1177 HD1 PHE 74 -1.852 -23.558 19.675 1.00 32.41 ATOM 1178 CD2 PHE 74 -3.840 -21.685 17.705 1.00 55.44 ATOM 1179 HD2 PHE 74 -4.597 -21.785 16.941 1.00 43.53 ATOM 1180 CE1 PHE 74 -1.911 -21.422 19.659 1.00 0.45 ATOM 1181 HE1 PHE 74 -1.156 -21.322 20.425 1.00 2.42 ATOM 1182 CE2 PHE 74 -3.451 -20.427 18.124 1.00 12.11 ATOM 1183 HE2 PHE 74 -3.901 -19.546 17.686 1.00 42.43 ATOM 1184 CZ PHE 74 -2.484 -20.296 19.101 1.00 23.14 ATOM 1185 HZ PHE 74 -2.178 -19.314 19.430 1.00 35.31 ATOM 1186 C PHE 74 -5.652 -25.792 17.691 1.00 3.12 ATOM 1187 O PHE 74 -6.732 -25.519 17.168 1.00 44.11 ATOM 1188 N GLU 75 -5.078 -26.989 17.543 1.00 43.41 ATOM 1189 HN GLU 75 -4.222 -27.174 17.989 1.00 38.50 ATOM 1190 CA GLU 75 -5.711 -28.032 16.721 1.00 11.40 ATOM 1191 HA GLU 75 -5.932 -27.585 15.760 1.00 72.24 ATOM 1192 CB GLU 75 -4.767 -29.220 16.491 1.00 53.03 ATOM 1193 HB1 GLU 75 -3.917 -28.876 15.918 1.00 38.50 ATOM 1194 HB2 GLU 75 -5.289 -29.971 15.915 1.00 64.54 ATOM 1195 CG GLU 75 -4.247 -29.878 17.761 1.00 41.23 ATOM 1196 HG1 GLU 75 -5.090 -30.191 18.363 1.00 38.50 ATOM 1197 HG2 GLU 75 -3.662 -29.155 18.313 1.00 63.35 ATOM 1198 CD GLU 75 -3.375 -31.086 17.467 1.00 34.33 ATOM 1199 OE1 GLU 75 -3.801 -32.224 17.763 1.00 3.03 ATOM 1200 OE2 GLU 75 -2.270 -30.906 16.912 1.00 14.13 ATOM 1201 C GLU 75 -7.038 -28.508 17.332 1.00 4.04 ATOM 1202 O GLU 75 -7.992 -28.802 16.610 1.00 30.25 ATOM 1203 N MET 76 -7.103 -28.575 18.663 1.00 2.41 ATOM 1204 HN MET 76 -6.287 -28.427 19.193 1.00 38.50 ATOM 1205 CA MET 76 -8.365 -28.877 19.349 1.00 41.42 ATOM 1206 HA MET 76 -8.725 -29.821 18.965 1.00 0.23 ATOM 1207 CB MET 76 -8.147 -29.009 20.861 1.00 51.13 ATOM 1208 HB1 MET 76 -9.106 -28.962 21.357 1.00 38.50 ATOM 1209 HB2 MET 76 -7.536 -28.185 21.200 1.00 34.32 ATOM 1210 CG MET 76 -7.464 -30.307 21.267 1.00 54.43 ATOM 1211 HG1 MET 76 -7.413 -30.351 22.346 1.00 38.50 ATOM 1212 HG2 MET 76 -6.462 -30.318 20.861 1.00 62.45 ATOM 1213 SD MET 76 -8.344 -31.767 20.670 1.00 11.21 ATOM 1214 CE MET 76 -9.973 -31.514 21.382 1.00 25.25 ATOM 1215 HE1 MET 76 -10.408 -30.610 20.975 1.00 43.13 ATOM 1216 HE2 MET 76 -9.888 -31.419 22.454 1.00 20.03 ATOM 1217 HE3 MET 76 -10.608 -32.356 21.146 1.00 43.31 ATOM 1218 C MET 76 -9.421 -27.801 19.058 1.00 11.44 ATOM 1219 O MET 76 -10.620 -28.086 18.988 1.00 42.11 ATOM 1220 N ALA 77 -8.969 -26.561 18.904 1.00 74.12 ATOM 1221 HN ALA 77 -8.024 -26.372 19.093 1.00 38.50 ATOM 1222 CA ALA 77 -9.843 -25.468 18.477 1.00 15.24 ATOM 1223 HA ALA 77 -10.715 -25.467 19.121 1.00 21.20 ATOM 1224 CB ALA 77 -9.133 -24.131 18.641 1.00 1.51 ATOM 1225 HB1 ALA 77 -8.253 -24.111 18.014 1.00 75.31 ATOM 1226 HB2 ALA 77 -8.841 -23.999 19.673 1.00 23.53 ATOM 1227 HB3 ALA 77 -9.799 -23.330 18.351 1.00 25.25 ATOM 1228 C ALA 77 -10.300 -25.666 17.022 1.00 71.24 ATOM 1229 O ALA 77 -11.474 -25.487 16.702 1.00 73.20 ATOM 1230 N VAL 78 -9.366 -26.053 16.148 1.00 41.13 ATOM 1231 HN VAL 78 -8.437 -26.143 16.453 1.00 38.50 ATOM 1232 CA VAL 78 -9.685 -26.340 14.740 1.00 24.01 ATOM 1233 HA VAL 78 -10.030 -25.421 14.284 1.00 75.22 ATOM 1234 CB VAL 78 -8.439 -26.829 13.958 1.00 21.43 ATOM 1235 HB VAL 78 -8.077 -27.735 14.428 1.00 10.01 ATOM 1236 CG1 VAL 78 -8.790 -27.156 12.507 1.00 52.02 ATOM 1237 HG11 VAL 78 -9.573 -27.902 12.483 1.00 2.01 ATOM 1238 HG12 VAL 78 -7.916 -27.540 12.001 1.00 13.20 ATOM 1239 HG13 VAL 78 -9.131 -26.261 12.006 1.00 3.04 ATOM 1240 CG2 VAL 78 -7.324 -25.791 14.018 1.00 53.51 ATOM 1241 HG21 VAL 78 -7.675 -24.859 13.597 1.00 42.43 ATOM 1242 HG22 VAL 78 -6.472 -26.141 13.453 1.00 44.34 ATOM 1243 HG23 VAL 78 -7.032 -25.633 15.046 1.00 74.33 ATOM 1244 C VAL 78 -10.794 -27.397 14.622 1.00 44.03 ATOM 1245 O VAL 78 -11.739 -27.236 13.848 1.00 32.24 ATOM 1246 N ALA 79 -10.672 -28.474 15.395 1.00 74.25 ATOM 1247 HN ALA 79 -9.868 -28.569 15.953 1.00 38.50 ATOM 1248 CA ALA 79 -11.696 -29.526 15.431 1.00 23.40 ATOM 1249 HA ALA 79 -11.772 -29.950 14.438 1.00 33.43 ATOM 1250 CB ALA 79 -11.274 -30.636 16.390 1.00 12.11 ATOM 1251 HB1 ALA 79 -11.208 -30.242 17.395 1.00 12.01 ATOM 1252 HB2 ALA 79 -10.309 -31.021 16.093 1.00 14.13 ATOM 1253 HB3 ALA 79 -12.001 -31.436 16.363 1.00 54.12 ATOM 1254 C ALA 79 -13.066 -28.959 15.836 1.00 50.21 ATOM 1255 O ALA 79 -14.100 -29.353 15.297 1.00 74.42 ATOM 1256 N LYS 80 -13.051 -28.018 16.778 1.00 3.15 ATOM 1257 HN LYS 80 -12.189 -27.746 17.158 1.00 38.50 ATOM 1258 CA LYS 80 -14.277 -27.377 17.269 1.00 21.53 ATOM 1259 HA LYS 80 -15.013 -28.152 17.425 1.00 53.33 ATOM 1260 CB LYS 80 -13.992 -26.688 18.616 1.00 14.05 ATOM 1261 HB1 LYS 80 -13.122 -26.056 18.503 1.00 38.50 ATOM 1262 HB2 LYS 80 -13.777 -27.447 19.359 1.00 55.20 ATOM 1263 CG LYS 80 -15.144 -25.825 19.128 1.00 60.25 ATOM 1264 HG1 LYS 80 -16.040 -26.428 19.172 1.00 38.50 ATOM 1265 HG2 LYS 80 -15.298 -25.006 18.439 1.00 33.04 ATOM 1266 CD LYS 80 -14.864 -25.252 20.516 1.00 72.13 ATOM 1267 HD1 LYS 80 -15.627 -24.522 20.753 1.00 38.50 ATOM 1268 HD2 LYS 80 -13.897 -24.768 20.506 1.00 43.03 ATOM 1269 CE LYS 80 -14.864 -26.332 21.593 1.00 42.32 ATOM 1270 HE1 LYS 80 -14.672 -25.869 22.550 1.00 38.50 ATOM 1271 HE2 LYS 80 -14.079 -27.043 21.378 1.00 11.43 ATOM 1272 NZ LYS 80 -16.164 -27.053 21.659 1.00 51.42 ATOM 1273 HZ1 LYS 80 -16.314 -27.607 20.791 1.00 71.21 ATOM 1274 HZ2 LYS 80 -16.945 -26.374 21.756 1.00 63.44 ATOM 1275 HZ3 LYS 80 -16.180 -27.697 22.475 1.00 62.32 ATOM 1276 C LYS 80 -14.847 -26.357 16.259 1.00 25.24 ATOM 1277 O LYS 80 -16.061 -26.164 16.179 1.00 51.34 ATOM 1278 N VAL 81 -13.972 -25.701 15.500 1.00 14.40 ATOM 1279 HN VAL 81 -13.017 -25.911 15.588 1.00 38.50 ATOM 1280 CA VAL 81 -14.391 -24.663 14.542 1.00 34.22 ATOM 1281 HA VAL 81 -15.249 -24.156 14.964 1.00 13.25 ATOM 1282 CB VAL 81 -13.264 -23.612 14.347 1.00 72.14 ATOM 1283 HB VAL 81 -12.372 -24.129 14.020 1.00 11.42 ATOM 1284 CG1 VAL 81 -13.636 -22.585 13.277 1.00 41.50 ATOM 1285 HG11 VAL 81 -14.536 -22.064 13.571 1.00 15.51 ATOM 1286 HG12 VAL 81 -13.804 -23.088 12.336 1.00 34.12 ATOM 1287 HG13 VAL 81 -12.829 -21.875 13.164 1.00 55.01 ATOM 1288 CG2 VAL 81 -12.951 -22.914 15.671 1.00 21.55 ATOM 1289 HG21 VAL 81 -12.624 -23.645 16.397 1.00 12.41 ATOM 1290 HG22 VAL 81 -13.838 -22.417 16.038 1.00 34.33 ATOM 1291 HG23 VAL 81 -12.169 -22.185 15.517 1.00 12.04 ATOM 1292 C VAL 81 -14.793 -25.247 13.173 1.00 64.22 ATOM 1293 O VAL 81 -15.851 -24.915 12.632 1.00 42.15 ATOM 1294 N MET 82 -13.943 -26.105 12.609 1.00 22.21 ATOM 1295 HN MET 82 -13.123 -26.342 13.085 1.00 38.50 ATOM 1296 CA MET 82 -14.209 -26.698 11.289 1.00 15.33 ATOM 1297 HA MET 82 -14.671 -25.939 10.670 1.00 60.10 ATOM 1298 CB MET 82 -12.893 -27.133 10.632 1.00 13.23 ATOM 1299 HB1 MET 82 -13.119 -27.646 9.708 1.00 38.50 ATOM 1300 HB2 MET 82 -12.380 -27.816 11.294 1.00 73.04 ATOM 1301 CG MET 82 -11.954 -25.977 10.316 1.00 3.02 ATOM 1302 HG1 MET 82 -11.030 -26.377 9.927 1.00 38.50 ATOM 1303 HG2 MET 82 -11.752 -25.434 11.229 1.00 70.20 ATOM 1304 SD MET 82 -12.645 -24.828 9.106 1.00 31.40 ATOM 1305 CE MET 82 -12.807 -25.893 7.672 1.00 61.02 ATOM 1306 HE1 MET 82 -11.834 -26.267 7.389 1.00 62.54 ATOM 1307 HE2 MET 82 -13.227 -25.331 6.851 1.00 23.30 ATOM 1308 HE3 MET 82 -13.457 -26.722 7.911 1.00 33.30 ATOM 1309 C MET 82 -15.160 -27.901 11.383 1.00 32.24 ATOM 1310 O MET 82 -15.959 -28.134 10.478 1.00 42.53 ATOM 1311 N GLN 83 -15.058 -28.659 12.480 1.00 30.42 ATOM 1312 HN GLN 83 -14.359 -28.445 13.133 1.00 38.50 ATOM 1313 CA GLN 83 -15.956 -29.797 12.761 1.00 65.42 ATOM 1314 HA GLN 83 -15.593 -30.276 13.658 1.00 53.43 ATOM 1315 CB GLN 83 -17.377 -29.279 13.032 1.00 34.25 ATOM 1316 HB1 GLN 83 -18.026 -30.122 13.221 1.00 38.50 ATOM 1317 HB2 GLN 83 -17.730 -28.756 12.153 1.00 72.24 ATOM 1318 CG GLN 83 -17.468 -28.327 14.221 1.00 33.50 ATOM 1319 HG1 GLN 83 -16.785 -27.505 14.062 1.00 38.50 ATOM 1320 HG2 GLN 83 -17.182 -28.862 15.116 1.00 63.51 ATOM 1321 CD GLN 83 -18.864 -27.764 14.420 1.00 73.21 ATOM 1322 OE1 GLN 83 -19.625 -27.593 13.473 1.00 42.52 ATOM 1323 NE2 GLN 83 -19.213 -27.471 15.653 1.00 55.35 ATOM 1324 HE21 GLN 83 -18.567 -27.631 16.369 1.00 54.14 ATOM 1325 HE22 GLN 83 -20.111 -27.106 15.802 1.00 52.42 ATOM 1326 C GLN 83 -15.994 -30.857 11.633 1.00 52.52 ATOM 1327 O GLN 83 -16.810 -31.781 11.676 1.00 25.34 ATOM 1328 N LYS 84 -15.107 -30.745 10.644 1.00 1.24 ATOM 1329 HN LYS 84 -14.449 -30.025 10.676 1.00 38.50 ATOM 1330 CA LYS 84 -15.098 -31.673 9.502 1.00 54.45 ATOM 1331 HA LYS 84 -15.639 -32.563 9.794 1.00 12.14 ATOM 1332 CB LYS 84 -15.805 -31.044 8.287 1.00 53.25 ATOM 1333 HB1 LYS 84 -15.680 -31.698 7.435 1.00 38.50 ATOM 1334 HB2 LYS 84 -15.334 -30.096 8.067 1.00 22.10 ATOM 1335 CG LYS 84 -17.299 -30.793 8.478 1.00 51.24 ATOM 1336 HG1 LYS 84 -17.694 -30.337 7.581 1.00 38.50 ATOM 1337 HG2 LYS 84 -17.438 -30.120 9.313 1.00 61.51 ATOM 1338 CD LYS 84 -18.064 -32.086 8.756 1.00 63.54 ATOM 1339 HD1 LYS 84 -17.724 -32.501 9.694 1.00 38.50 ATOM 1340 HD2 LYS 84 -17.867 -32.789 7.959 1.00 44.05 ATOM 1341 CE LYS 84 -19.567 -31.848 8.838 1.00 31.25 ATOM 1342 HE1 LYS 84 -20.054 -32.787 9.058 1.00 38.50 ATOM 1343 HE2 LYS 84 -19.915 -31.481 7.884 1.00 20.23 ATOM 1344 NZ LYS 84 -19.929 -30.861 9.892 1.00 61.13 ATOM 1345 HZ1 LYS 84 -19.696 -31.235 10.833 1.00 44.31 ATOM 1346 HZ2 LYS 84 -20.949 -30.657 9.853 1.00 75.12 ATOM 1347 HZ3 LYS 84 -19.410 -29.973 9.744 1.00 61.52 ATOM 1348 C LYS 84 -13.671 -32.079 9.100 1.00 33.54 ATOM 1349 O LYS 84 -12.869 -31.240 8.688 1.00 41.25 ATOM 1350 N ASP 85 -13.363 -33.367 9.224 1.00 65.35 ATOM 1351 HN ASP 85 -14.000 -33.967 9.666 1.00 38.50 ATOM 1352 CA ASP 85 -12.092 -33.913 8.736 1.00 4.21 ATOM 1353 HA ASP 85 -11.313 -33.199 8.975 1.00 23.53 ATOM 1354 CB ASP 85 -11.783 -35.240 9.441 1.00 14.10 ATOM 1355 HB1 ASP 85 -11.478 -35.038 10.460 1.00 38.50 ATOM 1356 HB2 ASP 85 -10.977 -35.741 8.923 1.00 44.20 ATOM 1357 CG ASP 85 -12.988 -36.163 9.472 1.00 55.02 ATOM 1358 OD1 ASP 85 -13.188 -36.936 8.512 1.00 12.20 ATOM 1359 OD2 ASP 85 -13.760 -36.095 10.453 1.00 35.11 ATOM 1360 C ASP 85 -12.126 -34.109 7.208 1.00 3.24 ATOM 1361 O ASP 85 -13.135 -34.552 6.650 1.00 74.24 ATOM 1362 N SER 86 -11.029 -33.756 6.537 1.00 32.30 ATOM 1363 HN SER 86 -10.269 -33.392 7.036 1.00 38.50 ATOM 1364 HA SER 86 -11.460 -34.793 4.788 1.00 21.41 ATOM 1365 CB SER 86 -11.562 -32.691 4.354 1.00 35.44 ATOM 1366 HB1 SER 86 -11.389 -32.774 3.290 1.00 38.50 ATOM 1367 HB2 SER 86 -11.111 -31.780 4.719 1.00 11.00 ATOM 1368 OG SER 86 -12.965 -32.624 4.582 1.00 24.35 ATOM 1369 HG SER 86 -13.145 -32.786 5.513 1.00 55.51 ATOM 1370 CA SER 86 -10.921 -33.898 5.070 1.00 43.05 ATOM 1371 C SER 86 -9.453 -34.051 4.621 1.00 52.41 ATOM 1372 OT1 SER 86 -8.807 -33.028 4.301 1.00 38.50 ATOM 1373 OT2 SER 86 -8.948 -35.197 4.593 1.00 38.50 ATOM 1374 OH2 TIP3 1 -14.496 -31.151 -1.989 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -14.558 -30.410 -2.595 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -14.445 -30.731 -1.099 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -14.637 -33.471 -0.524 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -13.769 -33.915 -0.460 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -14.487 -32.743 -1.164 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -20.409 -34.405 7.008 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.916 -34.726 7.796 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.719 -34.284 6.333 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.807 -38.129 14.047 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.536 -38.602 13.242 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.442 -38.663 14.768 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -22.498 -35.702 11.371 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -22.017 -36.223 10.698 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -22.204 -36.070 12.210 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -10.632 -39.073 12.323 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -11.341 -38.700 12.893 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -11.122 -39.542 11.616 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -17.590 -40.135 12.352 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.650 -40.417 12.357 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -17.757 -39.879 11.416 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.842 -39.258 9.726 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.156 -38.792 9.212 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -18.649 -39.168 9.185 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -12.369 -39.985 10.414 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -11.977 -39.628 9.604 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -13.204 -39.489 10.515 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -18.926 -35.339 9.076 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -18.085 -35.471 9.544 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -19.528 -36.003 9.467 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -15.758 -37.920 8.388 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -14.789 -37.720 8.437 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -16.118 -37.198 7.850 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -21.078 -37.660 5.817 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -21.577 -37.097 6.447 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -21.568 -37.555 4.975 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -18.324 -37.477 5.776 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -19.306 -37.499 5.712 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -18.092 -38.346 6.162 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -14.115 -34.029 15.085 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -14.984 -33.949 14.645 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -13.540 -34.428 14.403 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -23.068 -33.046 11.749 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -23.019 -33.940 11.350 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -22.534 -33.125 12.566 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -23.162 -30.131 16.418 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -23.929 -29.984 15.814 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -23.519 -29.931 17.314 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -15.928 -39.633 4.414 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -16.324 -38.808 4.075 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -15.001 -39.576 4.140 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -30.572 -30.856 15.785 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -30.292 -30.226 16.457 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -30.224 -31.699 16.087 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.159 -32.334 -0.265 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.295 -32.068 -1.176 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.305 -32.816 -0.280 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -21.119 -31.914 16.116 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -20.694 -31.652 16.963 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -21.918 -31.339 16.068 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -21.565 -26.426 9.000 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -21.586 -25.674 9.627 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -22.457 -26.805 9.050 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.138 -30.238 0.543 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -13.358 -30.831 0.649 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -14.688 -30.428 1.328 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.041 -37.209 18.119 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -14.972 -38.140 18.392 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -14.429 -37.140 17.359 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -15.058 -40.297 15.885 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -16.015 -40.372 15.687 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -14.647 -40.182 15.015 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -17.633 -40.059 6.555 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -17.045 -40.333 7.270 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -17.068 -40.104 5.750 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -19.961 -39.146 7.843 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -20.508 -38.774 7.119 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -19.322 -39.723 7.382 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -17.693 -40.641 15.043 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -17.677 -40.498 14.070 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -18.166 -41.472 15.152 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -21.092 -37.098 9.438 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -20.748 -37.935 9.069 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -21.723 -36.775 8.754 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -24.794 -35.325 5.939 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -25.204 -34.458 5.702 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -25.537 -35.859 6.241 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -21.396 -33.468 13.870 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -20.925 -34.308 14.077 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -21.470 -33.017 14.739 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.897 -34.789 5.850 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.135 -35.739 5.873 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.122 -34.725 6.451 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -19.861 -31.639 12.619 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -20.507 -32.323 12.916 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -19.166 -31.663 13.303 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -11.291 -38.998 3.966 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -11.518 -38.576 4.826 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -12.082 -38.843 3.410 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.650 -35.255 12.931 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.038 -35.518 12.067 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -11.694 -35.258 12.773 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -21.938 -29.908 8.274 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -21.257 -29.719 7.592 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -22.781 -29.707 7.828 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -22.549 -35.972 7.410 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -23.380 -35.686 6.979 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -21.924 -35.226 7.247 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -25.016 -31.238 12.428 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -24.349 -31.938 12.243 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -25.165 -30.826 11.576 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -24.060 -28.812 6.869 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -23.394 -28.256 6.397 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -24.314 -28.270 7.647 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.109 -34.185 3.307 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -16.944 -35.105 3.051 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.467 -34.251 4.217 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -16.455 -36.953 3.837 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -15.716 -36.531 4.313 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -17.168 -37.023 4.509 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -26.256 -33.113 5.297 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -25.790 -32.246 5.236 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -27.184 -32.887 5.192 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -19.938 -29.354 6.401 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -19.750 -29.796 5.536 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -19.242 -28.670 6.472 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -25.166 -30.616 5.077 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -24.896 -30.026 5.815 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -24.692 -30.269 4.315 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -19.962 -30.697 18.233 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.058 -30.828 18.592 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -20.036 -29.720 18.119 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -22.957 -36.430 4.196 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -22.759 -35.706 3.598 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -23.643 -36.067 4.795 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.539 -32.202 15.131 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.468 -32.074 15.425 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -18.037 -32.295 15.964 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.544 -31.704 2.366 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.546 -31.814 1.388 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.469 -32.624 2.708 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -16.258 -35.181 10.212 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -15.408 -35.670 10.367 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -16.551 -34.933 11.100 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -12.340 -34.981 -0.070 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -11.386 -34.715 -0.106 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -12.372 -35.797 -0.580 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -19.849 -35.602 14.558 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -19.636 -36.520 14.275 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -19.094 -35.344 15.095 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -16.568 -33.490 13.689 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -16.656 -32.933 12.893 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -17.298 -33.193 14.269 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -19.136 -30.079 3.908 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -18.924 -29.175 3.589 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -18.603 -30.668 3.330 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -16.717 -32.974 17.243 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.944 -32.802 16.687 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -16.430 -33.708 17.831 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -13.791 -38.306 3.010 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -14.340 -38.077 2.248 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -13.816 -37.502 3.572 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -15.743 -35.090 7.481 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.772 -35.117 7.391 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.898 -35.100 8.449 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.710 -37.937 13.715 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.867 -37.915 14.681 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -12.860 -37.020 13.431 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -12.831 -37.422 16.400 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -12.092 -36.793 16.376 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -12.539 -38.104 17.039 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -13.891 -35.965 4.507 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -13.911 -35.436 3.667 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -13.714 -35.297 5.204 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -14.854 -40.665 12.660 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -14.773 -39.811 12.177 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -14.054 -41.146 12.419 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -14.740 -38.595 10.910 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -14.295 -37.715 10.908 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -15.347 -38.552 10.151 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -24.936 -29.471 14.504 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -24.461 -28.808 13.975 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -25.124 -30.196 13.866 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -21.343 -25.562 13.327 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.609 -26.214 13.335 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -22.143 -26.106 13.446 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -28.799 -28.619 11.591 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -28.830 -29.353 10.981 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -29.418 -28.876 12.306 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -28.387 -34.772 9.923 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -28.376 -35.084 10.831 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -27.630 -34.188 9.862 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -24.675 -27.406 9.177 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -25.607 -27.607 9.322 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -24.456 -26.765 9.887 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -21.345 -29.269 12.394 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -20.658 -28.657 12.730 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -20.988 -30.155 12.588 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -21.709 -20.388 2.435 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -22.560 -20.824 2.348 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -21.082 -20.989 1.985 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -15.160 -33.186 25.727 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -14.645 -33.559 24.972 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -14.488 -33.033 26.421 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -18.431 -30.303 24.912 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -17.984 -31.047 24.436 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -19.330 -30.623 25.058 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -13.587 -32.898 28.165 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -14.271 -33.375 28.675 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -13.211 -32.269 28.805 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -17.107 -32.418 23.848 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -16.511 -32.694 24.574 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -16.648 -32.719 23.040 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -16.066 -33.376 21.405 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -17.041 -33.387 21.298 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -15.737 -33.887 20.632 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.763 -33.946 29.614 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -16.078 -34.806 29.912 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -16.380 -33.704 28.879 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -17.972 -28.012 23.466 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -18.121 -28.831 23.988 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -18.016 -27.294 24.131 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -7.947 -29.842 34.278 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -7.155 -30.364 34.551 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -8.197 -30.234 33.418 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -21.667 -30.333 20.342 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -21.105 -30.514 19.558 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -21.125 -29.714 20.886 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -14.647 -27.427 24.798 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -14.397 -28.069 24.093 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -15.107 -27.968 25.456 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.874 -29.030 35.460 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.220 -29.926 35.490 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.323 -28.575 36.207 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -18.725 -32.880 21.423 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -19.699 -33.002 21.321 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -18.610 -32.683 22.368 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.176 -31.417 21.384 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.950 -32.012 21.484 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.455 -32.019 21.094 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -15.406 -34.645 19.008 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -15.456 -35.615 18.837 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.515 -34.394 18.683 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -12.244 -31.067 30.134 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -12.711 -30.243 29.908 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -11.343 -30.936 29.789 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -14.335 -39.962 18.464 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -14.536 -40.065 17.499 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -14.752 -40.726 18.872 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -21.439 -32.873 21.298 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -22.208 -33.341 20.961 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -21.604 -31.934 21.058 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -17.562 -31.348 19.312 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -17.941 -31.939 19.996 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -17.235 -31.960 18.617 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -13.882 -29.155 22.887 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -13.146 -28.737 22.380 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -14.007 -30.027 22.449 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -13.006 -33.985 17.767 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.306 -33.998 16.832 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -12.029 -34.024 17.706 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -23.778 -29.307 18.945 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -23.976 -28.509 19.440 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -23.101 -29.767 19.491 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -14.005 -27.257 31.836 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -14.100 -27.848 31.064 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -13.525 -27.787 32.484 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.779 -34.110 23.557 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.954 -33.846 22.638 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -13.091 -34.779 23.482 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -11.192 -29.868 26.889 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -10.269 -29.650 26.602 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -11.150 -30.832 27.094 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -14.138 -29.635 26.829 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -14.120 -29.372 27.769 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -13.230 -29.938 26.651 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -12.761 -33.585 20.583 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -12.883 -33.637 19.615 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.000 -34.182 20.758 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.191 -32.977 27.565 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -16.629 -33.207 26.796 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -17.254 -32.002 27.529 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.698 -31.268 30.311 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.597 -31.107 30.005 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.591 -32.238 30.238 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -14.351 -29.038 29.604 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -15.090 -28.480 29.266 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -14.802 -29.853 29.943 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.836 -29.443 20.320 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -16.527 -29.978 19.873 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -15.176 -30.103 20.609 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -11.687 -32.367 32.671 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -11.816 -31.931 31.806 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -12.573 -32.625 32.939 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -9.910 -34.005 39.482 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -10.082 -34.907 39.787 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -9.146 -34.101 38.885 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -10.263 -28.608 38.470 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -10.259 -29.569 38.685 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -10.249 -28.584 37.487 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -9.211 -32.769 33.882 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -10.130 -32.737 33.530 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -8.682 -32.309 33.196 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -13.225 -28.439 42.390 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -14.179 -28.328 42.362 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -12.913 -28.051 41.548 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -10.176 -26.831 -0.925 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -9.295 -26.518 -1.212 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -10.065 -27.790 -0.827 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -16.144 -14.134 -4.795 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -16.213 -13.562 -3.997 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -16.888 -13.837 -5.366 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -11.767 -20.000 -1.222 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -11.475 -20.700 -0.616 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -12.677 -19.790 -0.923 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -10.313 -18.760 -5.848 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -10.787 -18.020 -6.265 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -10.219 -19.424 -6.575 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -18.485 -19.859 -0.360 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -18.218 -19.575 -1.266 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.400 -19.041 0.182 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -12.116 -18.673 -3.646 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -11.956 -19.194 -2.829 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -11.394 -18.935 -4.244 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -13.739 -14.559 -2.607 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -14.435 -14.151 -3.141 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.123 -15.420 -2.328 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -11.001 -14.400 -2.522 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -10.816 -14.525 -3.468 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -11.985 -14.369 -2.476 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -11.531 -24.387 -1.164 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -10.781 -24.062 -1.699 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -11.304 -25.327 -0.988 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -10.916 -15.094 -5.452 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -11.353 -15.698 -6.084 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -11.202 -14.201 -5.737 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.245 -14.957 1.754 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.989 -15.110 2.370 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -17.246 -15.742 1.184 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -16.380 -16.763 -4.041 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -16.437 -15.820 -4.308 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -15.594 -17.098 -4.522 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -19.760 -21.826 1.090 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -19.389 -21.102 0.531 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -19.760 -22.595 0.509 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -17.312 -19.048 -2.710 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -17.299 -18.233 -3.252 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.533 -19.534 -2.997 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -13.788 -26.088 3.691 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -14.650 -26.108 4.119 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -13.664 -27.010 3.356 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -11.190 -11.173 -3.543 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -11.409 -10.218 -3.571 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -11.611 -11.491 -2.709 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -14.119 -15.182 -6.542 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -14.773 -14.552 -6.191 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -14.147 -15.927 -5.907 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -14.980 -16.812 -1.653 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -15.660 -16.884 -2.353 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -14.884 -17.717 -1.320 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -14.403 -19.815 -0.477 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -14.376 -20.789 -0.562 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -14.981 -19.664 0.288 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -11.535 -22.500 0.783 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -12.309 -22.697 1.338 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -11.579 -23.175 0.065 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -13.986 -34.743 2.113 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -13.349 -34.868 1.380 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -14.670 -34.168 1.735 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.595 -22.631 -0.253 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.096 -23.156 -0.896 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -14.397 -23.063 0.612 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -18.061 -11.054 -1.023 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -18.938 -10.841 -1.358 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -18.193 -11.162 -0.050 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -16.142 -12.609 -2.509 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -16.962 -12.355 -2.047 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -15.489 -11.962 -2.199 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.516 -6.023 -2.759 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.269 -5.971 -3.393 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -15.199 -6.943 -2.841 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -13.571 -28.622 2.820 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -13.480 -28.803 1.870 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.075 -29.394 3.160 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.814 -17.420 8.520 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.084 -16.737 9.151 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -16.221 -18.022 9.052 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.083 -18.898 11.151 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.220 -18.495 11.395 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -19.048 -18.966 10.175 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -19.203 -12.498 13.961 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -19.298 -13.456 13.774 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -19.855 -12.325 14.647 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -20.421 -17.555 13.106 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -20.279 -18.095 13.888 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -20.042 -18.087 12.373 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -18.875 -24.057 9.231 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.458 -23.171 9.193 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -19.579 -23.960 9.895 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -14.894 -23.183 8.433 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -14.173 -23.796 8.658 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -14.926 -22.558 9.199 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -20.970 -21.111 9.171 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -20.343 -21.366 9.884 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -20.470 -20.472 8.636 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.695 -17.875 11.943 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.652 -18.496 12.704 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -16.149 -18.322 11.241 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -20.129 -25.274 7.002 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -20.740 -25.683 7.651 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -19.613 -24.639 7.535 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -15.585 -11.529 5.865 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.949 -11.525 6.788 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.323 -11.183 5.320 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.356 -17.580 4.161 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.881 -18.316 4.550 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -16.602 -17.474 4.778 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -19.197 -15.631 3.622 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -19.983 -16.176 3.423 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -18.514 -16.290 3.882 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.241 -15.304 11.249 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -16.887 -16.181 11.519 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -17.951 -15.133 11.887 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.027 -21.348 3.269 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.339 -21.082 2.617 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -18.783 -21.621 2.715 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.483 -17.093 6.128 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -15.372 -16.131 5.981 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.950 -17.154 6.993 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -15.262 -14.289 5.367 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -15.168 -14.277 4.390 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -15.528 -13.375 5.591 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -18.413 -13.424 5.043 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.961 -13.930 5.726 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -18.837 -14.109 4.479 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -23.879 -25.702 11.156 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -23.024 -25.234 11.060 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -24.511 -24.988 11.409 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.460 -21.045 1.042 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -15.942 -21.699 0.529 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -17.129 -20.712 0.408 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -25.061 -23.322 11.703 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -25.747 -22.693 11.938 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -24.303 -22.762 11.427 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.738 -19.484 8.406 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.219 -20.319 8.487 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.065 -18.803 8.205 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -16.322 -20.613 16.274 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.928 -19.843 16.726 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -16.456 -21.261 16.988 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -16.858 -22.400 12.120 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -16.579 -23.329 12.246 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -16.191 -22.031 11.487 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -16.296 -20.042 13.556 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.484 -20.893 13.111 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -16.350 -20.256 14.515 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -17.349 -21.801 8.753 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.710 -21.459 9.425 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -16.835 -22.468 8.262 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -16.548 -12.361 13.420 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -17.502 -12.148 13.552 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -16.414 -13.176 13.959 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -18.941 -19.547 5.204 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -19.116 -19.866 6.103 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -18.670 -20.352 4.709 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -19.366 -21.625 11.307 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -18.533 -22.006 11.664 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.267 -20.662 11.454 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -14.429 -21.756 6.109 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -13.699 -22.313 5.760 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -14.680 -22.196 6.951 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.701 -15.855 16.348 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.075 -15.514 17.005 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.257 -16.488 16.853 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -13.643 -19.038 5.876 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.015 -19.946 5.853 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -14.423 -18.463 6.051 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -20.365 -18.153 3.241 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.993 -18.823 2.890 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.959 -18.593 4.015 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.497 -24.677 15.928 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -20.478 -23.703 16.078 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -20.833 -24.772 15.014 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.618 -14.675 14.872 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.144 -15.482 15.194 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.419 -15.028 14.435 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -12.621 -14.063 6.225 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -12.293 -14.949 5.953 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -13.555 -14.062 5.939 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -19.146 -15.258 13.775 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.652 -15.958 13.304 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -19.357 -15.419 14.729 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -14.916 -13.707 2.639 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -14.284 -13.982 1.942 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -15.779 -14.064 2.330 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -14.328 -18.077 13.682 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -14.199 -17.547 12.873 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -14.900 -18.818 13.397 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.417 -26.487 8.828 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.859 -26.781 9.571 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.733 -25.598 9.097 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -15.822 -22.912 3.969 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -15.410 -22.447 4.722 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -16.663 -22.436 3.826 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -18.289 -27.106 6.288 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -18.949 -26.384 6.401 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.709 -27.018 7.074 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -20.077 -16.836 21.404 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -20.267 -16.119 20.786 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -19.961 -17.622 20.830 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -17.966 -10.833 4.463 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.183 -11.782 4.641 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.663 -10.343 4.917 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.190 -17.835 1.526 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -19.094 -17.903 1.895 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -17.615 -17.822 2.316 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -15.444 -16.881 15.898 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -15.023 -17.389 15.170 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -15.403 -17.482 16.664 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -22.830 -21.770 11.025 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -22.351 -21.578 10.184 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -22.656 -20.997 11.575 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -21.137 -17.683 17.878 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -21.983 -18.140 17.875 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -20.585 -18.202 18.498 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -23.410 -27.592 13.080 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -22.748 -28.257 12.770 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -23.646 -27.092 12.269 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -21.506 -24.313 10.853 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -21.214 -24.557 11.759 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -21.769 -23.373 10.931 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -20.256 -22.111 16.789 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -19.758 -21.302 16.645 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -19.941 -22.434 17.659 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -16.260 -22.364 18.559 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -15.864 -22.115 19.436 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -15.670 -23.047 18.222 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.254 -18.750 18.101 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -14.445 -18.917 18.604 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.967 -18.835 18.768 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -24.177 -26.211 15.330 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -25.115 -26.012 15.413 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -24.109 -26.696 14.480 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -18.287 -25.504 17.451 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -19.017 -25.354 16.809 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -17.501 -25.667 16.885 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -22.047 -27.671 16.178 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -22.808 -27.146 15.852 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -22.363 -28.601 16.137 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -20.354 -28.046 18.276 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -20.970 -27.862 17.530 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -20.677 -27.473 18.998 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -13.970 -23.790 2.132 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -13.738 -24.649 2.550 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -14.636 -23.403 2.745 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -16.512 -11.572 8.368 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.450 -12.151 9.152 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -16.852 -10.721 8.728 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.000 -16.531 18.971 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -17.251 -16.662 19.563 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -17.746 -15.746 18.433 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.087 -12.886 10.753 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -16.461 -12.575 11.603 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -16.389 -13.823 10.695 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -13.843 -9.026 11.177 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -13.044 -8.855 11.717 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -13.488 -9.318 10.314 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.444 -28.179 9.520 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -20.245 -27.638 9.354 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -18.706 -27.607 9.228 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -21.929 -27.455 5.858 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -21.229 -28.135 5.883 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -21.452 -26.618 5.960 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -15.061 -30.869 3.159 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.008 -31.107 3.028 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.678 -31.645 3.601 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -18.518 -27.432 3.551 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -18.361 -27.329 4.513 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -18.189 -26.616 3.170 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -8.328 -14.400 4.714 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -7.461 -14.118 4.399 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -8.884 -14.387 3.914 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -30.660 -29.791 13.247 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -31.605 -29.815 13.082 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -30.561 -30.197 14.134 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.753 -18.554 25.815 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -17.971 -18.079 25.449 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -19.422 -18.506 25.091 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.335 -21.871 32.621 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -17.067 -22.213 32.097 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.160 -22.576 33.280 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -20.420 -17.408 27.720 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -19.780 -17.857 27.129 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -20.477 -17.983 28.488 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.248 -22.899 27.215 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -18.938 -23.588 27.232 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -17.415 -23.401 27.193 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.887 -25.808 25.191 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.707 -25.340 24.345 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.153 -25.527 25.784 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -16.616 -17.223 24.774 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -16.291 -16.333 25.023 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.845 -17.646 24.340 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -16.107 -17.470 28.053 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -16.865 -17.072 28.493 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -16.465 -18.270 27.637 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -16.577 -27.852 28.478 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.843 -28.684 28.034 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -17.430 -27.452 28.770 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -21.971 -16.401 25.705 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -22.674 -15.866 26.082 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -21.449 -16.698 26.482 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.805 -14.526 25.317 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.488 -13.895 25.575 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.356 -14.095 24.557 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -12.771 -18.171 30.610 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -13.642 -18.524 30.866 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -12.512 -17.600 31.369 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.430 -22.402 22.896 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.734 -21.523 23.150 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -15.820 -22.232 22.125 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -19.320 -18.809 19.606 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -18.594 -19.361 19.953 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -18.857 -18.035 19.205 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -15.900 -24.041 34.380 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -16.562 -24.537 34.876 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -15.090 -24.089 34.945 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -16.657 -19.087 20.460 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.836 -18.420 21.153 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.807 -19.504 20.741 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -12.178 -15.932 28.968 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -12.336 -16.796 29.394 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -12.947 -15.815 28.370 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -12.527 -23.152 32.782 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -12.401 -22.353 32.234 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -13.333 -23.573 32.414 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -15.275 -23.561 29.438 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -15.571 -22.635 29.582 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -15.159 -23.922 30.345 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.830 -23.252 18.857 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -17.957 -22.804 18.821 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.672 -24.116 18.413 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -17.644 -24.826 22.635 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -17.207 -23.946 22.723 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -18.492 -24.626 22.175 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -21.730 -22.287 22.083 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -21.520 -21.534 22.647 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -22.640 -22.137 21.812 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -22.167 -25.391 18.084 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -21.527 -25.053 17.427 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -22.847 -25.820 17.549 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -18.949 -26.662 29.060 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -19.247 -26.129 28.290 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -19.495 -26.351 29.785 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.812 -20.868 29.417 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -15.671 -20.206 30.110 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -16.624 -20.560 28.948 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -20.590 -17.951 23.891 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -21.180 -17.376 24.431 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -20.518 -17.483 23.035 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -12.216 -16.632 32.807 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -12.555 -16.247 33.623 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -11.318 -16.964 33.051 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.963 -15.733 22.401 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -14.597 -16.596 22.680 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.874 -15.946 22.117 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -17.824 -20.223 27.746 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -18.036 -21.167 27.542 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -18.216 -19.725 26.996 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -17.418 -16.982 22.113 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -17.351 -17.132 23.077 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.375 -16.828 21.960 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -9.232 -13.294 17.815 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -9.478 -14.138 18.211 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -9.183 -12.679 18.572 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -14.579 -18.354 23.240 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.157 -18.835 23.973 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -14.344 -18.886 22.433 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -18.080 -27.017 19.810 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.199 -26.492 18.993 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.835 -27.624 19.811 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -21.007 -26.332 20.352 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -20.571 -25.560 20.778 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -21.564 -25.930 19.646 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -19.860 -25.177 26.934 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -19.185 -25.465 26.274 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -20.677 -25.119 26.426 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -11.297 -24.658 34.658 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -11.689 -24.164 33.897 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -10.534 -25.126 34.272 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -14.750 -23.621 24.741 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.339 -23.248 24.059 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -14.906 -23.055 25.525 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.207 -12.081 18.884 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.267 -12.188 19.864 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.839 -11.382 18.686 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -19.850 -24.059 21.263 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -19.525 -23.674 20.418 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -20.522 -23.412 21.580 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -9.681 -12.528 31.420 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -10.332 -13.268 31.352 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -10.208 -11.738 31.270 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -14.135 -15.791 27.086 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -14.668 -15.249 26.466 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -14.773 -16.462 27.422 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.629 -19.846 32.020 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -15.303 -20.534 32.235 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.813 -20.358 31.845 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.047 -20.712 31.570 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.009 -19.860 31.096 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -11.344 -20.636 32.254 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -12.835 -23.201 28.304 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -12.603 -22.333 28.645 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -13.758 -23.343 28.615 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -15.015 -21.774 26.768 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.328 -21.527 27.656 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.615 -20.960 26.422 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.707 -24.582 31.940 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.210 -24.517 32.775 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.496 -25.543 31.860 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -16.835 -30.259 27.149 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -15.897 -30.209 26.860 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -17.350 -30.183 26.317 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -16.339 -25.096 27.411 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.886 -24.530 28.074 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -16.307 -25.988 27.800 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -20.033 -28.565 21.605 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.409 -27.708 21.311 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -19.303 -28.315 22.205 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.533 -13.199 23.217 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -14.476 -14.090 22.795 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.596 -12.958 23.398 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -11.949 -27.347 40.170 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -11.261 -27.195 40.854 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -11.477 -27.859 39.472 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.081 -21.658 36.551 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.557 -22.452 36.234 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.428 -20.932 35.995 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -9.338 -20.093 36.997 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -10.022 -19.417 36.798 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -9.654 -20.892 36.530 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -13.711 -24.332 35.978 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -12.879 -24.529 35.494 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -13.590 -24.775 36.843 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.937 -27.974 37.792 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -13.858 -28.302 38.694 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -13.727 -27.021 37.865 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -9.811 -26.116 44.888 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -10.038 -25.797 45.784 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -10.342 -26.929 44.785 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -11.180 -28.434 44.180 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -11.207 -29.263 44.704 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -12.002 -28.468 43.638 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -9.303 -5.205 -3.106 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -9.279 -5.459 -4.045 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -10.232 -5.390 -2.834 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -17.527 -5.798 -4.590 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -17.534 -5.874 -5.551 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -18.435 -5.570 -4.363 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -5.303 -4.235 -7.227 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -5.336 -3.313 -7.543 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -4.360 -4.390 -7.045 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.042 -3.695 -2.389 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.784 -4.290 -2.617 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.426 -2.798 -2.443 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.719 -0.511 -0.602 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -13.425 -0.740 -1.235 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -13.198 -0.111 0.159 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.964 -6.070 -0.407 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -13.662 -5.154 -0.312 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.689 -6.012 -1.061 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.418 -10.360 -0.857 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -16.383 -10.524 -0.946 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -15.315 -10.045 0.066 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.689 -0.951 -2.724 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.113 -0.728 -3.467 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -15.446 -0.359 -2.822 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -9.966 -2.694 -2.049 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -9.669 -3.511 -2.496 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -10.544 -3.014 -1.333 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -11.951 -5.395 -2.551 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -12.655 -4.706 -2.628 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -12.442 -6.222 -2.443 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -14.065 -8.355 -2.128 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.927 -7.846 -1.307 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -14.506 -9.182 -1.825 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -18.318 -11.376 1.666 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -18.346 -12.331 1.804 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -18.165 -11.010 2.558 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -8.422 -9.515 12.410 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -8.982 -9.236 11.651 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -8.356 -8.707 12.967 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -10.857 -5.904 9.800 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -11.517 -5.642 10.477 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -10.720 -5.090 9.273 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -17.370 -9.297 9.583 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -18.265 -8.977 9.743 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -16.824 -8.796 10.199 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -12.265 -11.793 -1.075 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -12.371 -10.989 -0.521 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -13.006 -12.359 -0.813 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -10.951 -6.582 14.097 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -11.144 -6.087 14.900 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -9.983 -6.740 14.138 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -19.431 -3.033 8.446 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -19.806 -2.619 7.667 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -19.959 -2.699 9.173 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -11.375 -4.322 -0.069 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -11.566 -4.776 -0.915 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -11.440 -5.030 0.603 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -11.647 -8.809 12.802 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -11.423 -7.958 13.254 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -11.025 -8.844 12.044 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -10.950 -1.940 1.039 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -11.563 -1.388 0.513 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -11.109 -2.854 0.707 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -13.528 -11.910 18.310 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -14.501 -11.976 18.428 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -13.172 -12.567 18.916 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -9.707 -3.594 4.120 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -9.314 -2.766 3.746 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -10.660 -3.455 4.040 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -7.805 -0.427 5.520 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -8.168 -0.688 4.658 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -7.315 0.400 5.332 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -11.920 -6.536 1.605 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -11.953 -7.366 2.121 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -12.699 -6.591 1.017 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -10.741 -8.161 -1.032 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -11.486 -8.565 -0.539 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -9.949 -8.439 -0.528 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -12.505 -9.535 0.546 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -13.447 -9.395 0.774 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -12.045 -9.493 1.411 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -14.551 -6.839 12.636 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -14.585 -7.264 13.511 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.548 -7.589 12.009 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -13.003 -5.034 11.353 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -13.607 -5.687 11.787 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -12.773 -4.423 12.063 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -8.247 -10.378 17.207 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -8.668 -10.870 17.941 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -8.737 -10.676 16.405 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -11.943 -9.034 3.210 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -11.513 -8.781 4.054 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -12.585 -9.725 3.467 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -13.902 -8.902 14.454 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -13.696 -9.109 15.396 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -13.032 -8.711 14.058 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -15.007 -9.324 1.662 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -14.714 -9.931 2.381 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -15.670 -8.764 2.082 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -13.638 -11.778 10.187 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -14.529 -12.184 10.191 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -13.386 -11.769 9.244 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -10.869 -8.340 5.753 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -11.027 -9.096 6.330 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -11.312 -7.594 6.211 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -12.152 -9.396 8.868 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -12.490 -10.149 8.338 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -12.370 -8.605 8.333 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -14.059 -11.065 3.554 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -14.194 -11.963 3.184 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -14.467 -11.112 4.441 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -17.355 -14.318 17.587 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -16.864 -13.587 18.010 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -17.024 -14.329 16.668 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -16.409 -12.035 21.609 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -16.839 -11.474 22.259 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -15.704 -12.494 22.119 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -12.794 -9.771 16.767 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -12.291 -9.221 17.403 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -13.053 -10.564 17.292 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -11.288 -8.187 18.466 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -11.047 -8.338 19.388 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -11.490 -7.222 18.424 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 5.765 -25.683 -1.832 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 6.677 -26.008 -1.688 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 5.205 -26.297 -1.312 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -12.018 -31.884 0.882 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -12.134 -32.689 1.399 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -11.051 -31.728 0.892 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -9.679 -34.720 -0.221 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -9.086 -34.369 0.471 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -9.171 -35.468 -0.610 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 1.065 -34.669 4.648 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 0.139 -34.918 4.439 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 0.985 -34.107 5.446 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -6.228 -38.671 3.398 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -6.282 -39.539 3.839 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -7.108 -38.265 3.569 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -8.041 -36.771 -0.875 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -7.738 -37.476 -1.450 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -7.435 -36.815 -0.099 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -3.759 -41.202 12.167 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -3.895 -40.769 11.291 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -4.119 -42.083 12.049 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -8.642 -35.585 12.682 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -8.467 -36.534 12.522 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -8.527 -35.170 11.801 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 0.084 -38.416 7.800 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -0.578 -37.878 7.314 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -0.273 -39.307 7.778 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -8.161 -36.904 6.593 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -8.034 -37.634 5.966 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -8.430 -36.148 6.023 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -0.894 -34.712 12.582 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -0.297 -34.876 13.337 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -0.359 -34.969 11.805 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -6.222 -38.237 10.254 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -6.982 -38.260 10.880 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.411 -37.465 9.678 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -6.455 -36.089 8.566 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -5.572 -36.333 8.197 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -7.083 -36.313 7.844 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 0.167 -30.661 8.462 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 0.646 -29.904 8.041 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -0.678 -30.285 8.731 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -3.370 -35.492 13.488 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -2.481 -35.289 13.117 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -3.708 -36.222 12.918 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.049 -38.282 12.285 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.703 -38.680 13.097 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -8.978 -38.623 12.225 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -4.169 -32.904 13.690 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -3.865 -33.829 13.567 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -5.137 -32.992 13.817 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 2.932 -30.164 9.060 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 2.249 -30.851 8.992 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 2.561 -29.408 8.548 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 2.316 -33.787 8.733 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 1.964 -33.417 7.899 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 2.185 -34.755 8.637 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 1.348 -35.547 11.146 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 1.987 -34.816 11.113 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 1.497 -36.033 10.305 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -1.715 -36.711 6.608 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -1.704 -35.950 7.200 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -1.665 -36.316 5.711 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -8.110 -34.557 10.160 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -7.683 -33.697 10.107 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -7.537 -35.144 9.620 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -7.253 -35.491 17.285 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -7.019 -34.573 17.568 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -6.556 -35.725 16.645 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 1.772 -27.026 0.987 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 1.432 -26.287 1.536 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 1.317 -27.805 1.338 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 3.597 -32.607 16.529 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 3.215 -32.741 15.636 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 2.939 -32.999 17.132 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -6.677 -34.101 14.058 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -6.396 -34.731 14.736 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -7.455 -34.527 13.642 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -4.479 -37.655 12.325 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -5.134 -37.972 12.982 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -4.916 -37.809 11.462 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -4.327 -37.291 7.380 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -4.639 -38.174 7.100 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -3.437 -37.215 6.986 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -5.681 -38.485 14.641 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -4.830 -38.929 14.797 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -5.593 -37.628 15.102 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -10.224 -38.453 7.803 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -10.919 -38.192 7.177 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -9.486 -37.857 7.600 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -0.908 -39.470 15.820 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -0.718 -40.410 15.855 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -1.668 -39.400 15.197 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -5.500 -39.790 6.993 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -6.249 -39.705 7.596 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -5.890 -40.183 6.182 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -6.913 -40.947 4.892 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -6.693 -41.866 4.711 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -7.890 -40.900 4.734 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -12.082 -42.252 3.808 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -12.922 -42.708 3.900 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -12.320 -41.321 3.740 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -5.346 -36.503 20.428 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -4.623 -37.142 20.259 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -4.983 -35.648 20.126 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -4.011 -36.707 3.812 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -4.756 -36.079 3.828 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -4.436 -37.569 3.668 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 1.894 -36.540 8.614 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 1.218 -37.226 8.401 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 2.640 -36.746 8.003 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -2.321 -33.870 16.122 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -2.615 -34.750 16.422 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -2.902 -33.240 16.622 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -1.673 -35.231 4.237 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -1.959 -34.340 3.930 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -2.424 -35.818 3.992 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -10.132 -36.988 17.224 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -9.200 -37.218 17.103 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -10.533 -37.796 17.609 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -5.039 -35.983 15.635 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -4.463 -35.749 14.869 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -4.417 -36.020 16.397 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 2.391 -32.997 13.961 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 1.991 -33.889 14.073 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 2.784 -33.024 13.068 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 7.174 -30.581 0.376 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 7.338 -31.090 -0.424 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 6.722 -31.198 0.963 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -4.403 -40.182 9.713 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -5.036 -39.468 9.948 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -4.384 -40.170 8.745 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -9.552 -41.141 4.247 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -10.249 -41.817 4.145 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -10.024 -40.296 4.125 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -6.217 -33.153 5.242 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -5.929 -32.224 5.207 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -7.181 -33.115 5.063 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 0.861 -32.659 6.628 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 0.763 -32.108 5.821 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 0.535 -32.082 7.349 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 3.466 -27.075 4.054 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 3.022 -26.245 3.760 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 2.744 -27.593 4.492 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 2.844 -32.586 3.703 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 2.085 -31.987 3.842 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 2.484 -33.469 3.889 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -7.590 -30.960 3.065 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -8.086 -31.662 3.554 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -6.960 -30.608 3.729 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -8.766 -37.823 3.965 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -9.644 -38.232 3.836 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -8.960 -36.863 4.074 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -2.624 -32.766 3.314 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -3.502 -32.563 2.937 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -2.144 -31.920 3.267 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -5.512 -30.475 4.749 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -5.195 -29.910 5.492 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -4.718 -30.634 4.218 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -8.001 -33.789 1.751 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -8.343 -33.541 2.640 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -7.292 -34.426 1.944 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -5.011 -31.800 2.092 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -5.901 -31.476 2.334 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -5.178 -32.459 1.410 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 2.937 -36.638 4.162 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.683 -36.955 3.292 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 2.306 -35.907 4.346 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -10.156 -34.387 17.968 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -10.130 -35.306 17.613 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.298 -34.015 17.720 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -9.279 -31.479 0.971 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -8.863 -32.366 0.964 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -8.773 -30.989 1.655 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -6.497 -33.035 18.158 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -5.618 -32.652 17.953 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -6.781 -32.568 18.956 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 1.293 -35.472 14.053 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 1.487 -35.982 13.246 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 1.088 -36.157 14.732 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -11.760 -38.927 18.420 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -11.358 -38.732 19.293 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -12.601 -39.384 18.636 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -6.370 -35.234 3.532 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -6.026 -34.511 4.105 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -7.277 -35.396 3.880 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -3.230 -36.046 17.678 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -3.142 -36.866 18.204 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -3.442 -35.357 18.349 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -2.988 -39.369 14.022 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -3.194 -38.610 13.447 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -3.162 -40.153 13.449 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 0.343 -37.082 16.001 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -0.340 -36.659 16.534 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 0.028 -38.011 15.903 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -3.152 -24.406 2.451 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -2.503 -24.251 1.734 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -2.806 -25.174 2.917 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -6.368 -36.900 1.274 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -6.261 -37.741 1.759 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -6.207 -36.219 1.952 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 1.913 -33.395 18.621 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 0.989 -33.145 18.394 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 2.258 -32.617 19.106 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 3.794 -37.110 6.717 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 4.743 -37.098 6.577 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 3.417 -37.022 5.813 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 3.332 -33.267 11.233 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 4.291 -33.498 11.175 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.018 -33.316 10.298 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -12.197 -37.501 6.070 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -12.771 -36.945 5.510 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -12.537 -37.347 6.990 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -1.616 -30.193 2.868 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -1.133 -29.334 2.931 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -2.129 -30.115 2.056 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 3.886 -29.858 6.422 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 2.997 -29.434 6.389 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 3.911 -30.285 7.296 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -2.083 -34.793 25.106 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -2.457 -33.897 24.887 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -1.518 -35.008 24.333 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -2.706 -35.761 27.664 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -2.500 -36.719 27.743 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -2.637 -35.581 26.704 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 0.067 -33.924 26.977 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -0.581 -34.350 26.386 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -0.301 -33.031 27.127 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -8.933 -30.384 29.353 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -8.063 -29.936 29.222 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -9.218 -30.603 28.456 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -5.043 -33.146 28.500 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -4.074 -33.269 28.613 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -5.357 -34.012 28.163 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -8.300 -33.772 27.037 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -7.791 -32.929 27.033 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -7.620 -34.459 27.208 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -6.058 -35.486 27.459 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -5.681 -35.496 26.542 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -5.607 -36.215 27.902 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -5.446 -31.898 30.886 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -5.183 -30.977 30.644 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -5.403 -32.389 30.035 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -10.629 -35.266 20.616 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -10.284 -34.920 19.767 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -10.621 -36.238 20.499 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 0.854 -35.298 29.283 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 0.295 -34.669 29.783 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 0.776 -34.995 28.353 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 0.770 -29.880 24.077 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 0.085 -29.192 24.172 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 0.287 -30.724 24.213 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -1.358 -31.409 27.484 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -1.893 -31.123 26.707 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -1.926 -32.065 27.938 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -4.369 -33.499 22.055 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -5.094 -33.999 22.483 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -3.868 -33.110 22.805 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -0.729 -36.619 20.307 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 0.061 -36.655 19.718 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -0.950 -35.666 20.343 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -4.800 -35.585 25.107 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -5.285 -35.525 24.256 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -3.893 -35.312 24.888 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -10.063 -34.187 24.923 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -9.332 -34.112 25.573 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -10.708 -33.538 25.218 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -6.451 -27.879 26.271 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -6.128 -28.083 27.162 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -5.853 -27.160 25.955 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -2.409 -33.435 28.999 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -1.753 -33.499 29.724 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -2.394 -34.330 28.579 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -5.953 -31.465 34.938 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -5.354 -30.713 35.151 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -6.183 -31.836 35.800 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -1.271 -33.951 20.387 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.233 -33.983 20.202 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -0.905 -33.429 19.641 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -7.085 -30.037 37.348 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -6.418 -29.336 37.338 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -7.333 -30.118 38.292 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -6.257 -35.372 22.784 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.238 -35.456 22.837 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -6.017 -35.896 21.993 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 2.815 -30.898 19.454 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 2.587 -30.452 18.608 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 3.770 -31.085 19.372 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -10.705 -32.472 27.571 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -9.903 -33.039 27.551 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -11.429 -33.085 27.779 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -4.300 -32.692 33.186 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -4.642 -32.521 32.277 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -5.019 -32.366 33.775 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -7.719 -34.876 34.929 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -8.213 -34.112 34.560 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -8.002 -35.620 34.392 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.235 -36.089 18.535 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.426 -36.376 17.628 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.598 -35.179 18.582 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -0.587 -34.921 22.810 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -0.312 -35.785 22.468 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -0.857 -34.421 22.004 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 1.669 -28.015 33.239 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 0.705 -27.817 33.322 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 2.031 -27.804 34.124 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -8.494 -36.581 39.038 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -7.739 -37.169 39.028 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.215 -35.820 38.493 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 0.131 -37.923 29.665 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 0.381 -36.999 29.446 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 0.761 -38.184 30.339 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -6.781 -31.505 27.227 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -6.077 -32.108 27.546 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -6.607 -30.660 27.714 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -2.453 -30.656 33.665 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -1.542 -30.984 33.833 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -2.979 -31.471 33.517 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 1.413 -29.329 21.459 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 1.295 -29.672 22.372 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 1.680 -30.112 20.939 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -10.160 -37.984 20.482 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -9.332 -37.702 20.020 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -9.886 -38.103 21.400 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -1.962 -38.383 27.979 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -1.217 -38.226 28.603 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -1.998 -39.338 27.891 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -0.626 -32.777 17.985 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -1.102 -31.927 17.822 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -1.011 -33.387 17.327 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 1.668 -30.390 31.833 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 1.667 -29.522 32.298 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 0.926 -30.324 31.193 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 6.788 -27.097 23.014 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 6.791 -27.997 23.410 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 6.118 -26.610 23.534 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -0.145 -32.494 24.157 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -1.116 -32.383 24.287 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -0.067 -33.345 23.683 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -7.993 -31.264 31.903 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -8.429 -31.000 31.065 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -7.084 -31.518 31.629 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -8.989 -35.617 22.831 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.558 -35.364 22.078 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.401 -35.171 23.604 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -0.469 -30.579 30.072 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -0.635 -30.704 29.112 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -1.153 -29.940 30.353 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -8.574 -29.611 26.377 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -7.942 -28.862 26.249 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -7.993 -30.395 26.455 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 0.140 -31.694 33.855 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.766 -31.244 33.251 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 0.393 -32.624 33.806 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -3.853 -34.215 19.559 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -4.139 -33.844 20.434 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -3.916 -33.444 18.937 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -7.862 -37.019 19.441 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -7.020 -36.921 19.933 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -7.736 -36.458 18.644 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -3.051 -37.926 19.752 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.862 -38.868 19.828 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -2.220 -37.488 20.056 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 5.043 -26.242 27.095 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 5.627 -27.025 27.009 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 4.232 -26.597 27.516 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 2.143 -34.423 31.623 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 3.019 -34.709 31.894 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 1.968 -34.924 30.804 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -0.256 -33.283 30.808 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 0.584 -33.448 31.284 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.266 -32.313 30.667 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 2.448 -29.118 26.180 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 1.875 -29.392 25.438 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 3.160 -29.788 26.190 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -10.201 -28.461 35.764 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.647 -29.043 35.208 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -11.125 -28.662 35.482 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -6.427 -27.683 34.931 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -7.072 -28.372 34.664 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -5.591 -28.176 35.057 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -0.947 -27.441 33.432 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -1.505 -27.893 32.769 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -1.402 -26.587 33.590 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 3.012 -26.688 31.191 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.500 -26.992 31.966 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.454 -27.495 30.869 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 3.233 -27.434 20.890 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.666 -28.214 21.080 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 4.102 -27.811 20.709 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -8.563 -29.817 42.495 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -9.228 -30.276 43.031 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.845 -29.630 43.116 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -8.306 -26.925 39.619 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -8.834 -27.543 39.081 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -8.752 -26.924 40.481 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -2.894 -34.574 34.633 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -2.786 -35.328 34.048 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -3.380 -33.915 34.089 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -7.859 -30.578 39.950 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -8.089 -30.273 40.854 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -8.695 -30.958 39.608 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -4.442 -28.106 38.761 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -3.621 -28.329 38.276 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -4.662 -28.932 39.248 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -5.123 -30.502 39.871 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -4.796 -31.400 39.770 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -6.093 -30.607 39.964 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -10.232 -31.350 38.812 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -10.391 -32.222 39.237 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -9.886 -31.582 37.920 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -2.031 -33.432 36.937 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -2.086 -34.150 37.571 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -2.360 -33.826 36.096 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -7.913 -34.292 37.570 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -8.231 -33.393 37.347 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -7.673 -34.677 36.699 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -4.255 -29.389 35.372 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -3.607 -29.726 34.715 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -3.702 -29.159 36.150 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -8.905 -31.926 36.523 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -8.284 -31.164 36.555 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -9.041 -32.086 35.564 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -11.380 -30.890 45.409 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -12.047 -31.575 45.291 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -11.060 -31.021 46.310 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -5.762 -25.884 39.631 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -5.204 -26.646 39.349 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -6.681 -26.232 39.575 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -2.402 -28.978 31.501 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -2.417 -29.574 32.283 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -3.291 -29.105 31.088 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.995 -15.428 -3.388 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -2.879 -16.270 -3.877 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -2.451 -15.544 -2.583 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -7.723 -19.740 -5.269 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -8.645 -19.439 -5.401 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -7.817 -20.602 -4.804 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -8.377 -11.707 -7.369 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -7.796 -12.494 -7.308 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -9.246 -12.067 -7.581 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -12.079 -16.757 -7.367 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -12.840 -16.157 -7.175 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -12.174 -16.965 -8.302 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -4.525 -14.872 -5.620 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -4.018 -14.918 -4.777 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -3.990 -15.387 -6.246 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -1.411 -22.299 -8.035 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -1.086 -22.255 -7.106 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -1.201 -23.192 -8.314 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -9.808 -20.593 -7.778 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -9.923 -20.856 -8.695 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -9.297 -21.336 -7.376 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -3.144 -20.481 -9.031 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -2.498 -21.098 -8.611 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -3.338 -20.889 -9.879 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 8.108 -18.617 -2.197 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 7.313 -19.145 -2.428 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 8.755 -19.285 -1.894 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 5.350 -20.360 -5.268 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 5.772 -20.193 -4.406 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 5.463 -21.324 -5.403 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -0.238 -20.770 -3.393 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 0.364 -20.894 -2.636 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -0.146 -19.812 -3.622 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -3.895 -16.138 -8.255 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -4.831 -15.889 -8.407 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -3.433 -15.809 -9.033 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -6.793 -13.902 -6.762 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -6.774 -14.505 -7.537 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -5.966 -14.127 -6.268 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -4.033 -18.686 -7.209 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -3.694 -19.332 -7.880 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -3.833 -17.805 -7.604 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 1.962 -16.298 -4.164 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.487 -17.044 -4.522 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 2.526 -15.527 -4.297 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -14.019 -17.555 -5.191 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -13.660 -17.987 -5.977 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -13.436 -17.874 -4.458 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 5.773 -12.419 -0.257 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 5.116 -12.879 -0.813 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 5.404 -12.475 0.645 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 3.764 -22.724 -0.437 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 3.909 -23.474 0.179 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 4.562 -22.718 -0.996 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 1.551 -21.315 -1.194 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.707 -21.703 -0.873 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 2.242 -21.964 -0.908 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -4.947 -20.378 -5.169 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -5.897 -20.151 -5.210 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -4.563 -19.934 -5.951 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -7.785 -22.148 -3.962 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -8.376 -22.634 -3.338 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -6.889 -22.261 -3.574 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -2.825 -17.695 -4.862 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -3.216 -18.033 -5.690 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -2.907 -18.447 -4.235 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 4.823 -7.291 -0.287 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 5.686 -7.484 -0.712 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 4.477 -8.174 -0.043 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -5.180 -22.105 -2.968 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -4.698 -21.697 -2.222 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -4.998 -21.514 -3.724 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 2.956 -18.705 -7.836 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 3.629 -19.252 -8.256 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.169 -18.839 -8.374 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -6.608 -15.802 -8.735 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -6.725 -16.620 -8.187 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -7.108 -15.983 -9.539 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 3.356 -15.763 -0.216 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 3.539 -15.046 -0.853 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.192 -16.257 -0.164 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 8.343 -18.072 0.780 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 8.709 -17.181 0.625 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 7.595 -18.131 0.167 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 3.549 -18.305 -5.220 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 4.179 -19.063 -5.183 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 3.190 -18.343 -6.139 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 5.173 -16.045 -5.082 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 4.616 -16.848 -5.050 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 5.830 -16.240 -5.759 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.738 -11.425 -2.986 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 3.428 -10.736 -2.961 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 1.915 -10.932 -3.075 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -7.683 -26.140 -1.967 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -6.804 -25.695 -1.999 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -7.483 -27.080 -2.183 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -0.378 -22.519 -5.515 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 0.242 -23.166 -5.171 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -0.421 -21.833 -4.814 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -0.120 -18.154 -4.068 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 0.524 -17.419 -4.052 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -0.939 -17.748 -4.409 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 5.940 -23.058 -4.822 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 6.004 -22.956 -3.849 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 6.024 -24.005 -4.965 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 2.533 -12.245 0.274 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 2.715 -12.928 -0.394 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 1.566 -12.093 0.206 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -4.940 -18.775 -1.901 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -4.691 -18.821 -0.967 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -4.193 -19.209 -2.370 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -5.403 -24.653 -1.960 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.205 -24.339 -1.061 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -5.294 -23.857 -2.518 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -8.409 -22.630 -6.631 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -8.160 -23.545 -6.781 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -8.168 -22.467 -5.695 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -8.922 -23.699 -1.989 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -8.746 -23.448 -1.058 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -8.516 -24.591 -2.077 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -2.915 -19.948 -3.334 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -3.373 -20.434 -4.045 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -2.036 -20.377 -3.276 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -1.050 -21.946 -0.370 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -1.964 -21.677 -0.595 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.143 -22.872 -0.060 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -1.109 -24.557 0.567 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -0.952 -25.237 -0.100 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -0.512 -24.811 1.317 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.084 -23.527 0.642 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.999 -23.714 0.905 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -4.540 -23.945 1.344 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.079 -27.971 2.995 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.017 -26.990 2.907 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 0.503 -28.178 3.767 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -18.285 -13.249 -6.236 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -19.189 -13.177 -5.913 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -18.368 -13.180 -7.194 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 5.683 -17.459 -0.485 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 5.382 -18.084 -1.162 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 6.276 -16.846 -0.971 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -6.708 -18.028 -7.218 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -5.786 -18.355 -7.234 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -7.175 -18.661 -6.636 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 2.455 -19.621 1.001 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 3.416 -19.549 1.156 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 2.384 -20.174 0.204 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 6.085 -23.020 -2.144 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 5.820 -23.975 -2.101 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 7.018 -23.021 -1.831 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 3.322 -19.579 -2.461 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 2.926 -19.177 -3.249 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 2.627 -20.178 -2.120 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -8.808 -23.334 0.776 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -8.898 -24.182 1.261 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -9.698 -22.933 0.830 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 8.472 -26.213 -1.466 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 9.001 -26.194 -0.629 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 8.888 -26.906 -1.990 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 8.636 -23.423 -1.283 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 8.984 -23.378 -0.362 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 8.585 -24.386 -1.470 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -3.008 -9.816 0.099 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -3.172 -10.062 -0.838 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -3.840 -9.403 0.385 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -1.719 -8.936 -8.003 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -2.440 -9.466 -7.615 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -2.174 -8.349 -8.642 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -0.040 -9.224 -4.998 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -0.062 -9.751 -5.809 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -0.981 -9.191 -4.711 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 6.105 -14.145 -3.347 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 6.743 -14.686 -2.833 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 5.781 -14.758 -4.045 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -11.151 -12.436 -5.959 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -11.212 -11.979 -5.086 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -11.931 -12.132 -6.438 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -8.660 -13.320 -4.812 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -9.428 -13.040 -5.343 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -7.932 -13.394 -5.463 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -4.087 -10.271 -6.946 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -4.998 -9.888 -6.890 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -4.231 -11.168 -7.269 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -7.468 -28.810 -2.458 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -7.356 -29.479 -3.135 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -8.240 -29.119 -1.937 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -9.712 -29.705 -1.087 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -9.497 -30.339 -0.366 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -10.603 -29.952 -1.358 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 4.224 -27.325 -0.136 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 3.253 -27.309 0.016 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 4.548 -28.000 0.490 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 3.902 -9.887 0.006 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 4.309 -9.951 -0.883 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 3.447 -10.755 0.121 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.814 -10.883 2.956 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 1.788 -10.785 2.850 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.714 -11.370 3.783 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 4.394 -10.812 8.160 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 3.761 -10.539 7.484 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 3.878 -11.448 8.724 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -3.864 -21.362 -0.483 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -4.321 -22.139 -0.084 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -4.133 -20.615 0.076 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 4.976 -12.588 2.414 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 4.300 -13.272 2.307 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 5.705 -13.044 2.901 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -0.173 -11.502 0.460 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -1.047 -11.101 0.333 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 0.064 -11.279 1.384 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -13.152 -11.614 7.462 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -13.961 -11.494 6.929 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -12.757 -12.442 7.109 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 6.568 -21.616 2.497 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 5.962 -20.958 2.099 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 7.425 -21.155 2.533 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 4.033 -24.926 1.207 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 3.991 -25.749 0.676 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 3.294 -25.017 1.849 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 3.482 -10.270 2.714 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 3.692 -9.944 1.814 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 4.026 -11.083 2.801 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 4.364 -18.025 32.064 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 3.725 -17.309 31.897 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 5.213 -17.658 31.750 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 3.168 -20.502 31.655 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 3.539 -20.969 32.433 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 3.540 -19.597 31.721 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -3.773 -18.424 27.656 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -3.523 -19.254 28.092 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -3.242 -17.743 28.118 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.718 -18.326 33.142 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -4.230 -18.715 33.903 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.570 -18.951 32.423 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.080 -14.665 34.982 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -7.225 -14.275 34.091 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -7.824 -14.345 35.504 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -9.899 -17.789 33.589 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -9.842 -18.763 33.488 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -8.955 -17.493 33.593 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -3.535 -16.208 31.566 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -3.966 -15.372 31.845 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -3.909 -16.878 32.163 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.604 -13.646 21.206 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -9.609 -13.982 22.123 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.008 -14.369 20.681 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 2.192 -22.992 34.796 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 1.381 -23.055 34.245 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 1.848 -22.811 35.706 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -11.356 -18.561 35.853 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -12.205 -18.894 35.507 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -10.900 -18.206 35.069 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 7.404 -14.005 31.289 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 7.969 -13.246 31.020 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 6.704 -13.596 31.858 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -2.729 -16.221 28.937 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -3.327 -15.532 28.599 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -2.906 -16.240 29.907 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -6.515 -13.571 19.178 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -6.885 -14.249 19.754 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -6.305 -12.827 19.786 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 3.262 -12.913 29.618 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 4.217 -12.985 29.394 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 3.199 -12.080 30.127 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 4.944 -12.730 21.129 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 5.416 -12.961 20.293 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 4.143 -12.273 20.830 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -7.267 -17.066 33.579 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -6.406 -17.496 33.407 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -7.043 -16.301 34.140 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 5.792 -13.790 25.652 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 5.181 -14.271 26.247 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 5.412 -13.931 24.754 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -9.650 -14.391 23.966 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -8.799 -14.866 24.127 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -10.222 -14.673 24.707 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.330 -17.537 36.879 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -0.966 -17.277 36.177 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -0.832 -17.417 37.712 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -13.853 -19.486 34.810 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -14.562 -18.961 35.199 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -14.096 -19.554 33.866 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -4.341 -15.134 34.982 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -4.206 -14.670 34.129 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -5.295 -15.010 35.167 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -10.068 -20.556 33.448 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -9.320 -21.106 33.138 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -10.344 -20.985 34.287 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -0.232 -23.222 33.480 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -0.675 -24.036 33.805 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -0.929 -22.543 33.521 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -0.367 -27.083 36.263 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -0.913 -26.329 36.567 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.641 -27.220 35.336 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -1.981 -25.167 34.402 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -2.881 -25.232 34.009 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -2.146 -25.093 35.370 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -9.397 -10.940 23.553 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -9.051 -11.800 23.826 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -10.352 -11.015 23.690 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -11.912 -12.795 24.003 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -11.162 -13.300 23.641 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -12.026 -13.156 24.902 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.414 -10.130 31.823 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 6.090 -10.199 31.104 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 5.779 -9.473 32.424 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 5.867 -13.413 29.041 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 6.440 -13.722 29.771 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 5.676 -14.218 28.528 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 1.954 -16.448 35.812 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 1.487 -15.910 35.147 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 1.234 -16.833 36.351 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 7.767 -17.998 27.309 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 8.361 -17.214 27.253 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 7.532 -18.051 28.257 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 3.721 -15.494 30.796 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 3.470 -14.908 30.061 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 3.407 -15.017 31.596 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 4.980 -19.234 34.497 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 4.796 -20.173 34.278 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 4.698 -18.743 33.697 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 4.384 -21.792 33.671 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 3.631 -22.198 34.163 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 4.989 -22.544 33.499 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 3.887 -25.169 34.772 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 3.236 -24.433 34.807 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 3.378 -25.952 35.078 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -11.437 -14.532 31.171 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -11.634 -14.886 30.277 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -11.799 -15.203 31.776 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -7.586 -14.004 32.337 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -8.252 -13.339 32.033 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -7.863 -14.825 31.909 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -3.948 -11.444 32.398 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -3.919 -10.635 32.911 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -3.136 -11.403 31.839 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 2.509 -14.054 32.786 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 1.915 -14.515 33.407 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 1.908 -13.485 32.260 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 3.573 -29.186 30.051 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 3.015 -29.718 30.652 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 4.101 -29.841 29.578 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -4.819 -13.981 32.489 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.785 -13.890 32.347 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -4.481 -13.053 32.434 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 0.810 -12.522 31.248 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 0.995 -12.814 30.344 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 1.421 -11.761 31.382 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 2.810 -10.692 31.158 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 3.687 -10.334 31.419 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 2.470 -10.044 30.497 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -11.630 -14.573 26.187 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -12.439 -15.099 26.338 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -11.248 -14.473 27.071 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -7.268 -15.708 24.393 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -6.717 -15.708 23.602 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -6.673 -16.039 25.096 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -5.095 -16.692 25.872 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -4.737 -17.429 26.424 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -4.526 -16.689 25.080 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 2.785 -27.293 28.161 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.497 -27.859 27.404 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 2.935 -27.931 28.888 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -9.103 -11.363 19.814 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -9.489 -10.593 20.253 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -9.307 -12.116 20.423 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -5.604 -11.019 17.640 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -5.798 -11.542 18.442 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -6.486 -10.711 17.339 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -0.747 -31.066 36.526 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -1.200 -31.909 36.756 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -0.310 -31.255 35.678 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 5.208 -12.915 32.506 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 4.329 -13.239 32.778 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 5.092 -11.952 32.417 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.536 -22.889 38.529 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -2.246 -23.237 39.113 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -1.522 -21.926 38.717 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -1.454 -20.130 38.825 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -1.621 -19.207 39.115 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -0.533 -20.108 38.485 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -7.401 -21.176 41.880 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -7.685 -20.678 41.089 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -7.503 -22.108 41.623 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.999 -19.833 37.579 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.544 -19.040 37.227 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.952 -19.638 37.441 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -2.276 -28.913 37.209 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -1.811 -29.773 37.071 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -1.585 -28.244 37.039 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -10.565 -25.238 47.459 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -10.277 -24.342 47.654 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -11.052 -25.509 48.242 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -11.671 -23.091 38.496 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.851 -22.616 38.737 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -12.206 -22.422 38.020 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.192 -23.717 40.625 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -6.613 -24.435 40.287 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.679 -24.139 41.377 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -3.596 -22.954 42.286 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -3.257 -23.227 43.141 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -4.105 -22.134 42.481 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -8.590 -25.002 42.560 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -9.046 -25.798 42.241 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -8.769 -25.000 43.518 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -2.200 -25.114 37.102 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -1.820 -24.298 37.503 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -2.874 -25.395 37.738 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -3.905 -20.329 37.579 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -4.474 -20.882 38.157 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -3.060 -20.258 38.072 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -10.564 -22.159 35.642 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -10.663 -23.105 35.410 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -11.425 -21.924 36.052 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -1.941 -17.408 39.102 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.672 -17.002 38.575 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -1.973 -16.946 39.946 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -3.884 -16.259 37.550 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -3.863 -15.777 36.699 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -4.814 -16.467 37.681 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -8.969 -22.688 38.810 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -8.696 -21.753 38.934 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -8.423 -23.181 39.461 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -5.041 -20.816 43.139 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -5.186 -20.095 43.754 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -5.922 -20.950 42.714 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 0.160 -15.295 34.037 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -0.543 -15.914 34.333 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.284 -14.724 33.400 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -7.825 -20.257 39.268 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -6.904 -20.192 38.975 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -8.347 -19.941 38.494 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -2.083 -16.829 34.895 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -2.445 -17.738 34.849 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -2.877 -16.256 34.906 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -5.395 -21.997 39.220 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -6.131 -22.305 39.778 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -4.682 -22.646 39.390 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -3.136 -19.438 35.078 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -2.555 -20.173 34.828 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -3.460 -19.684 35.980 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 3.346 -18.679 36.670 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 3.963 -18.909 35.949 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 2.992 -17.802 36.410 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 0.908 -22.550 37.151 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 0.119 -22.828 37.652 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 0.982 -21.590 37.335 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 2.358 -27.233 35.859 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 1.414 -27.091 36.102 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 2.694 -27.812 36.553 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -12.899 -25.479 38.389 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -12.608 -26.011 39.159 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -12.503 -24.588 38.550 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -9.838 -27.444 41.941 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -10.307 -27.446 42.802 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -9.328 -28.282 41.951 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -9.137 -31.568 50.289 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -8.814 -32.358 50.725 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -9.086 -30.886 50.961 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -3.677 -24.034 39.824 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -4.357 -24.739 39.869 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -3.595 -23.717 40.759 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.822 1.916 -7.658 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 0.032 1.858 -7.069 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 0.565 2.552 -8.338 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -3.075 -3.013 -5.712 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -2.898 -2.292 -6.348 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -2.244 -3.527 -5.699 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -6.994 -1.627 -5.682 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.502 -1.812 -6.505 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -6.951 -0.651 -5.595 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 2.753 -0.120 -9.738 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 1.791 -0.039 -9.800 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 2.967 -0.899 -10.309 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -1.416 1.802 -6.107 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -1.575 1.568 -5.165 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -2.202 2.291 -6.362 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 5.006 -7.712 -7.103 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 5.805 -8.228 -6.832 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 4.427 -7.763 -6.335 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 1.496 -3.875 -8.798 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 2.012 -4.663 -8.517 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 1.776 -3.730 -9.716 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -6.580 -5.976 -5.586 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -7.196 -6.476 -6.161 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -6.246 -5.249 -6.167 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -4.741 2.219 -2.776 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -5.398 2.892 -3.046 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -5.253 1.386 -2.751 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 1.317 -6.972 -11.272 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 1.810 -6.144 -11.418 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.018 -7.670 -11.274 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.473 -7.436 -6.977 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -8.836 -7.182 -7.832 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.212 -7.275 -6.344 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -5.488 6.041 -2.904 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -6.082 5.271 -3.059 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -5.754 6.683 -3.571 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 3.585 3.842 -6.291 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 4.520 3.580 -6.191 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.465 3.937 -7.267 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 2.582 -8.438 -3.793 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 1.780 -8.779 -4.226 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 2.438 -7.472 -3.753 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -2.798 -9.207 -4.783 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -3.226 -9.690 -5.527 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -3.170 -8.296 -4.846 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 2.662 5.801 -4.602 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 2.980 5.224 -5.332 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 2.868 6.712 -4.910 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 1.461 3.755 -10.780 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.023 4.504 -11.238 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.888 3.256 -11.501 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 3.222 -4.839 -10.919 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 4.068 -5.016 -11.401 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 3.302 -5.371 -10.098 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -2.554 -0.959 -7.495 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -1.958 -0.571 -6.825 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -1.979 -1.585 -7.994 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 1.035 6.054 -2.315 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 1.384 6.219 -3.211 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 1.671 5.445 -1.925 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -6.956 3.832 -3.174 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.582 3.985 -3.922 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -7.476 3.293 -2.537 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -8.762 4.073 -5.130 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -9.422 4.719 -5.396 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -9.219 3.209 -5.220 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -9.826 1.559 -5.470 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -10.482 1.401 -6.156 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -9.825 0.722 -4.942 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 4.953 4.584 0.984 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 4.020 4.402 0.743 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 5.319 5.045 0.198 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -3.098 6.957 -2.114 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -3.338 7.867 -2.301 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -3.900 6.444 -2.347 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -7.102 1.083 -5.399 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -6.645 1.798 -5.856 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -8.049 1.335 -5.446 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.745 -9.595 -6.795 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -7.351 -10.340 -7.012 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -7.301 -8.797 -6.903 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -1.247 -4.129 -3.006 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -0.514 -3.537 -2.759 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.107 -4.299 -3.957 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -5.233 -1.534 -7.913 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -4.311 -1.239 -7.726 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -5.443 -1.126 -8.760 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 3.335 -2.152 -11.455 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 3.965 -2.078 -12.181 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.247 -3.119 -11.313 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -3.903 -5.084 -2.853 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -4.414 -4.346 -3.253 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -2.976 -4.754 -2.844 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 1.249 -2.824 -6.240 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 0.362 -3.149 -6.009 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 1.380 -3.124 -7.161 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -1.323 -7.060 -11.945 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -1.323 -7.177 -12.900 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -0.370 -6.998 -11.710 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -1.129 -3.082 -8.458 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -0.198 -3.334 -8.633 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -1.614 -3.917 -8.509 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -2.757 -5.737 -7.358 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -2.840 -6.269 -8.177 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.189 -6.285 -6.671 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -2.304 1.168 -3.594 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -3.104 1.693 -3.380 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -2.176 0.600 -2.798 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -9.461 -0.990 -4.515 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -9.650 -1.549 -3.744 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -8.690 -1.417 -4.939 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -1.277 5.375 -1.043 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -2.077 5.854 -1.364 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.532 5.829 -1.502 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -1.239 -1.060 -4.864 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -1.472 -0.242 -4.387 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -1.840 -1.724 -4.499 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 0.269 3.227 -1.372 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -0.416 3.938 -1.335 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 0.707 3.361 -2.235 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.037 -6.911 -3.063 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -7.844 -6.418 -2.830 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -6.775 -6.539 -3.935 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.744 -6.783 -5.935 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 0.410 -7.623 -5.553 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 0.785 -6.961 -6.901 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -0.894 -4.662 -5.712 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -0.190 -5.347 -5.738 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -1.577 -5.004 -6.336 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 2.001 -5.670 -3.748 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.568 -5.932 -4.590 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.815 -4.720 -3.671 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 0.692 -7.574 -8.580 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -0.095 -8.147 -8.463 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 0.760 -7.455 -9.551 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 3.142 8.416 -5.451 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 3.561 9.210 -5.106 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 2.558 8.737 -6.147 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -10.489 -6.788 -5.257 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -10.851 -7.485 -4.662 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -11.237 -6.199 -5.410 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -1.932 -0.486 -1.489 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -2.248 -1.242 -0.960 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -1.338 -0.003 -0.885 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -10.152 0.036 -1.468 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -9.972 -0.897 -1.691 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -11.076 0.027 -1.145 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -5.348 3.954 -0.437 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -5.420 4.706 -1.047 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -4.889 3.270 -0.959 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -4.035 -6.798 -5.044 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -3.891 -6.231 -4.256 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -4.960 -6.603 -5.309 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -5.168 -2.955 -4.051 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -4.407 -2.950 -4.679 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -5.892 -2.533 -4.555 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 10.548 5.051 -7.328 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 10.297 4.944 -8.254 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 11.084 5.852 -7.318 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 6.048 2.637 -6.141 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 6.612 3.218 -5.586 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 6.605 2.440 -6.923 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 2.063 0.606 1.433 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 1.320 0.815 0.828 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 2.162 1.419 1.973 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 0.505 5.760 -12.401 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -0.306 6.007 -12.856 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 1.075 6.530 -12.491 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 5.690 -5.346 -11.906 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 6.559 -5.232 -12.339 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 5.827 -6.088 -11.291 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 2.445 3.453 -3.169 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 2.498 4.278 -3.700 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.674 2.747 -3.805 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 3.054 -6.117 -8.455 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 2.346 -6.795 -8.449 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 3.828 -6.577 -8.068 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.844 -13.619 -1.917 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 4.604 -13.830 -2.507 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 3.353 -12.911 -2.403 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 7.077 -8.218 -1.543 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 7.249 -9.134 -1.222 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 7.936 -7.768 -1.431 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -11.726 -8.458 -3.488 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -12.672 -8.492 -3.219 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -11.246 -8.288 -2.641 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -8.369 2.040 -1.703 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -8.296 2.337 -0.770 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -9.132 1.410 -1.695 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 2.705 -5.821 -1.085 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 2.600 -5.819 -2.058 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 3.546 -6.307 -0.931 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -2.921 -7.167 -9.757 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -3.801 -7.075 -10.140 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -2.314 -7.130 -10.539 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -3.584 -10.469 -2.479 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -3.347 -11.375 -2.710 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -3.294 -9.941 -3.255 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 6.012 6.083 -1.074 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 6.868 6.504 -0.944 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 5.444 6.792 -1.398 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 1.493 1.342 9.302 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 1.325 1.532 10.229 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 2.282 0.753 9.317 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 3.565 -0.348 6.147 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 3.789 0.520 6.561 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 3.799 -0.226 5.201 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -9.710 -5.397 6.250 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -10.205 -4.913 6.939 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -9.648 -4.762 5.511 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -11.301 -3.861 7.993 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -12.235 -4.129 8.164 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -11.360 -2.922 7.783 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -2.948 5.602 7.556 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -2.856 4.662 7.749 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -2.058 5.951 7.646 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.230 2.977 7.899 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 0.293 2.303 8.379 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 0.427 3.578 7.546 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 6.527 -9.272 12.542 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 5.695 -8.884 12.886 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 7.177 -9.104 13.258 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 0.487 -3.988 11.330 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 0.452 -4.448 10.464 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -0.231 -3.335 11.279 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 3.058 -2.935 5.640 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 3.261 -2.015 5.911 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 3.606 -3.484 6.239 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -5.593 -8.744 10.209 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -6.436 -8.562 10.641 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -5.008 -8.004 10.508 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -6.728 -1.491 7.795 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.172 -1.170 6.974 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -7.376 -2.073 8.200 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 4.813 -8.161 14.464 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 5.356 -7.354 14.394 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 4.667 -8.269 15.422 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.280 -11.172 12.148 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -5.661 -10.709 11.568 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -7.035 -10.549 12.240 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 4.981 -4.005 7.355 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 5.616 -4.694 7.055 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 5.074 -4.005 8.323 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -4.218 -6.458 11.058 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -4.255 -6.083 11.955 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -3.537 -5.915 10.602 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -13.709 0.390 1.799 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -14.170 1.121 2.223 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -13.186 -0.005 2.505 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 3.905 2.110 7.175 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 3.858 3.039 6.905 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 3.904 2.142 8.141 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 1.117 5.030 4.546 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 1.964 4.926 5.030 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 1.109 5.983 4.285 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -0.059 -4.563 14.031 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -0.755 -3.876 13.963 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 0.295 -4.626 13.124 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -4.981 -5.662 4.259 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -4.368 -5.323 4.921 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -4.437 -5.742 3.446 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -6.254 1.865 5.064 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -5.375 1.992 4.650 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -6.505 2.751 5.362 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -4.844 0.336 7.100 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -5.501 -0.337 7.384 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -5.350 0.928 6.518 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -4.862 9.642 7.699 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -5.581 9.828 8.310 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -4.587 10.507 7.384 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 1.588 2.957 2.793 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 1.898 3.416 1.985 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 1.377 3.688 3.418 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 2.353 -8.275 4.296 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 2.874 -8.054 5.086 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 2.861 -8.994 3.867 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -7.000 -4.041 3.229 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.692 -3.887 3.887 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -6.332 -4.577 3.703 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 2.460 3.582 0.257 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 1.612 3.580 -0.237 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 3.029 2.965 -0.248 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 1.154 10.383 4.136 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 1.565 11.028 4.719 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 0.483 10.884 3.661 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -0.938 4.967 1.591 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -1.202 5.069 0.645 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -0.303 5.682 1.734 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 1.561 7.647 3.934 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 1.294 8.591 3.981 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 2.535 7.670 4.028 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 4.439 -4.099 14.357 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 3.933 -4.195 13.522 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 5.150 -3.483 14.131 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -4.885 -10.078 7.942 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -4.037 -10.502 8.120 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -5.176 -9.744 8.820 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.400 -8.808 14.624 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.174 -8.058 14.061 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 1.033 -8.431 15.285 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -3.969 -1.091 14.180 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -4.549 -1.769 14.570 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -4.579 -0.357 13.949 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -3.073 -2.183 17.336 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.462 -2.688 17.930 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -2.496 -1.555 16.882 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.238 -5.151 8.851 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 0.611 -5.028 7.971 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 0.752 -5.914 9.226 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.874 -3.321 15.604 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -4.146 -2.963 16.161 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -5.637 -3.336 16.198 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -12.290 -6.931 7.701 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -13.045 -6.326 7.820 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -11.632 -6.620 8.358 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 1.834 -6.960 9.902 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 1.807 -7.933 10.026 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 2.755 -6.716 10.120 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -3.888 -1.308 9.161 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -4.712 -1.789 9.000 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -3.941 -0.540 8.560 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -2.300 -4.757 9.923 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -1.481 -4.998 9.442 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -2.200 -3.805 10.100 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -2.110 -2.849 13.250 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -1.987 -2.534 12.332 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -2.679 -2.159 13.664 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 5.575 5.224 3.542 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 5.308 5.022 2.612 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 6.372 4.699 3.677 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 4.653 -1.919 11.466 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 5.503 -2.191 11.856 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 4.054 -2.667 11.659 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -1.699 4.580 4.198 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -1.486 4.784 3.264 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -0.851 4.700 4.664 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -3.675 2.498 4.076 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -3.146 3.244 4.431 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -4.263 2.920 3.403 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -4.622 7.305 6.201 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -4.077 6.720 6.768 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -4.719 8.125 6.727 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 3.767 -0.137 9.566 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 4.293 -0.442 8.817 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 4.071 -0.699 10.318 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -9.468 -10.671 14.755 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -10.348 -10.278 14.754 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.061 -10.350 13.925 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -7.791 3.091 0.742 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -8.145 3.941 1.029 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -6.858 3.285 0.509 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -2.600 0.331 5.517 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -3.289 0.222 6.200 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -2.917 1.077 4.977 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -1.566 2.315 2.094 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -1.378 3.262 1.899 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -2.358 2.343 2.667 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -1.707 -2.060 10.640 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -2.537 -1.791 10.166 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -1.088 -1.343 10.450 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -7.764 1.079 2.632 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -7.783 1.761 1.926 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -7.205 1.470 3.324 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 3.163 -4.210 11.958 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 2.213 -4.126 11.728 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 3.473 -4.973 11.425 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -6.692 0.231 -2.813 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -7.340 0.816 -2.361 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -6.840 0.406 -3.766 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -6.793 -12.048 5.157 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -7.561 -12.542 5.482 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -6.216 -11.970 5.928 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -5.248 3.787 2.329 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -5.045 4.615 2.827 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -5.132 4.035 1.390 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -0.253 1.040 0.092 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -0.855 1.430 0.770 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -0.111 1.777 -0.552 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.663 0.935 13.360 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.623 1.123 12.416 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.167 1.668 13.728 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -4.232 -6.956 17.159 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -3.502 -6.402 16.814 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -4.776 -6.333 17.692 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -3.881 -4.970 13.642 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -4.389 -4.419 14.281 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -3.239 -4.342 13.252 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 2.116 -4.976 15.778 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 1.445 -4.718 15.113 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 2.955 -4.607 15.429 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -8.572 -5.394 18.150 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -8.736 -6.213 17.633 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -7.603 -5.273 18.099 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -2.121 -5.936 15.570 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -1.282 -5.475 15.373 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -2.711 -5.677 14.834 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -1.382 -8.243 16.860 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -1.586 -7.379 16.440 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -0.802 -8.688 16.218 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -5.640 -6.993 14.719 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -5.189 -7.144 15.571 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -5.038 -6.402 14.233 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -8.972 -1.336 2.844 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -8.585 -0.441 2.685 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -9.685 -1.413 2.166 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 8.085 -2.219 9.366 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 7.744 -2.144 8.438 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 8.177 -1.304 9.655 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 4.383 -6.076 10.346 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 4.673 -6.886 9.871 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 5.139 -5.459 10.245 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 6.752 -6.217 14.023 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 6.165 -5.451 14.152 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 7.445 -5.887 13.413 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -8.314 -7.474 14.327 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -8.545 -7.626 15.266 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -7.354 -7.244 14.354 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 8.662 -13.818 14.996 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 8.635 -13.934 15.969 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 8.796 -12.852 14.873 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 4.689 -7.673 6.025 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 5.022 -7.987 5.164 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 5.339 -6.991 6.294 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -10.151 -8.512 10.550 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -10.745 -8.968 9.912 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -10.240 -7.561 10.320 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -13.805 -4.694 8.721 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -14.749 -4.490 8.681 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -13.622 -4.802 9.682 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 4.514 -8.537 17.322 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 5.487 -8.635 17.380 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 4.198 -8.757 18.230 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 6.759 -10.015 2.015 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 6.388 -10.834 2.382 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 7.017 -10.256 1.101 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -9.417 -6.108 2.768 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -9.496 -5.246 3.212 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -10.291 -6.243 2.347 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 3.662 5.066 5.663 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 4.330 4.897 4.972 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 3.711 6.025 5.805 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 1.228 -9.577 10.283 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 0.324 -9.262 10.171 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 1.291 -10.348 9.645 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 5.106 -8.213 8.787 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 4.831 -7.999 7.871 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 4.936 -9.175 8.863 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -4.312 5.614 4.085 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -4.577 6.290 4.753 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -3.356 5.493 4.239 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 4.298 7.518 4.298 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 4.812 6.757 3.948 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.914 8.256 4.262 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -3.734 -6.773 24.539 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -4.149 -6.407 25.352 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -4.451 -6.725 23.865 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 4.605 -11.261 23.458 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 4.893 -11.812 22.702 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 3.742 -10.931 23.191 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 1.539 -9.461 29.083 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 1.560 -8.903 28.299 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 0.737 -10.010 28.965 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -4.408 -14.493 27.390 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -5.247 -14.190 27.759 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -4.656 -15.270 26.835 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.404 -3.623 18.881 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -0.951 -3.578 19.727 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -0.901 -4.308 18.377 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -5.089 -6.176 26.834 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -5.662 -5.674 27.420 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -5.041 -7.049 27.238 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -1.059 -7.425 24.697 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -1.986 -7.113 24.592 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -0.529 -6.636 24.562 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -0.747 -9.791 25.981 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -0.706 -8.911 25.541 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -0.617 -10.432 25.250 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -11.352 -5.484 18.304 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -10.398 -5.263 18.288 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -11.793 -4.631 18.360 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.351 -9.532 24.846 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -3.447 -8.563 24.763 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -2.526 -9.648 25.348 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -7.674 -5.593 20.886 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -8.179 -5.223 20.139 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -7.930 -5.026 21.654 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -0.741 -10.976 28.410 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -1.154 -11.817 28.128 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -0.757 -10.423 27.595 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -5.552 -2.583 18.344 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -5.904 -1.745 18.661 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -4.618 -2.376 18.105 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -5.917 -6.856 22.859 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -6.466 -7.661 22.965 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -6.365 -6.355 22.162 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 2.026 -7.632 16.386 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 2.180 -6.684 16.171 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 2.869 -7.924 16.788 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 0.169 -5.447 17.663 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 0.283 -6.406 17.690 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 0.922 -5.132 17.120 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -4.941 -10.320 22.759 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -5.752 -9.836 23.000 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -4.326 -10.143 23.506 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -8.299 -4.012 23.012 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -7.566 -3.987 23.639 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -9.018 -3.559 23.468 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -5.843 -5.271 18.653 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -5.710 -4.298 18.556 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -6.048 -5.390 19.597 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 9.348 -8.854 18.998 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 9.623 -9.740 19.334 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 10.090 -8.283 19.209 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 3.726 -9.170 19.887 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 3.832 -8.430 20.527 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 3.343 -9.889 20.418 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 4.754 -14.494 23.203 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 3.778 -14.624 23.190 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 4.923 -13.901 22.436 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 4.094 -7.222 21.744 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 4.254 -6.276 21.724 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 4.886 -7.592 22.200 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -2.172 -12.969 26.998 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.352 -12.404 26.233 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -3.027 -13.428 27.164 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -1.634 -11.222 31.043 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -1.402 -10.958 30.131 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -0.855 -11.723 31.348 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 6.790 -10.235 24.669 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 6.641 -10.394 25.625 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 5.963 -10.564 24.240 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -7.491 -9.125 22.682 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -8.155 -9.696 23.129 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -7.923 -8.872 21.839 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -8.479 -8.228 20.279 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -8.193 -8.333 19.363 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -8.230 -7.308 20.505 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -6.090 -11.292 20.518 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -5.585 -11.029 21.327 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -6.989 -10.977 20.689 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -0.732 -15.348 27.147 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -1.188 -14.484 27.077 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -1.305 -15.873 27.744 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -9.039 -7.820 16.977 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -9.926 -7.974 17.373 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -8.604 -8.702 17.019 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 4.289 -30.598 11.409 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 3.881 -30.338 10.554 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 3.968 -31.506 11.556 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 7.409 -29.606 4.160 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 7.426 -29.167 3.297 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 6.585 -30.137 4.143 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 4.911 -30.832 4.078 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 4.315 -31.588 3.864 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 4.588 -30.519 4.955 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 8.188 -28.826 21.282 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 7.378 -29.314 21.065 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 7.872 -28.049 21.774 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 9.019 -31.425 21.433 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 9.006 -30.448 21.354 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 9.765 -31.606 22.039 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 5.607 -26.836 8.900 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 6.284 -26.140 8.767 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 5.319 -27.065 7.990 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 0.661 -30.994 4.408 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -0.123 -30.804 3.856 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 0.994 -30.103 4.668 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 5.362 -31.674 18.459 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 6.182 -31.563 17.966 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 4.726 -32.019 17.788 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 6.984 -30.992 11.010 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 6.050 -30.759 11.183 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 7.328 -30.236 10.494 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 7.529 -28.714 9.473 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 7.858 -28.894 8.566 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 6.732 -28.168 9.329 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 6.065 -33.588 11.006 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 6.447 -32.682 10.960 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 6.831 -34.162 11.078 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 4.726 -28.745 2.286 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 4.248 -28.094 2.849 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 4.714 -29.571 2.818 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 7.290 -28.138 1.721 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 7.484 -28.858 1.084 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 6.338 -28.266 1.938 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 4.417 -31.022 26.021 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 4.912 -31.183 25.192 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 3.699 -31.697 26.003 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 9.661 -29.498 24.207 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 10.119 -30.320 23.925 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 10.258 -28.779 23.904 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 11.037 -31.678 23.317 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 11.859 -31.599 22.775 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 11.248 -32.357 23.964 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 2.269 -32.683 25.675 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 1.591 -32.494 25.003 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 1.801 -33.229 26.331 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 13.335 -31.454 21.888 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 14.023 -31.672 21.256 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 13.253 -30.471 21.827 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 6.210 -28.683 26.536 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 6.464 -28.928 25.616 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 5.590 -29.386 26.800 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 8.934 -27.958 26.361 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 8.016 -28.159 26.623 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.118 -28.590 25.632 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 6.917 -29.582 24.112 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 7.885 -29.730 24.012 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 6.514 -30.433 23.845 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 5.303 -31.751 23.475 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.526 -32.300 23.321 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.619 -31.521 22.568 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 6.336 -31.108 21.049 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 6.039 -31.359 20.151 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 7.274 -31.407 21.088 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 9.417 -15.536 0.401 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 9.120 -14.842 1.009 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 10.250 -15.862 0.800 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 5.349 -19.280 1.664 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 5.503 -18.581 0.999 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 5.733 -18.914 2.488 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 9.702 -20.905 -1.811 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 9.292 -21.777 -1.608 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 9.958 -20.976 -2.738 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 10.109 -26.004 0.649 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 10.093 -26.418 1.533 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 10.182 -25.045 0.836 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 6.682 -25.319 2.042 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 5.772 -25.144 1.734 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 6.877 -26.213 1.716 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 7.718 -10.631 -0.542 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 7.020 -11.332 -0.545 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 8.485 -11.061 -0.941 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 6.500 -11.416 -4.180 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 5.885 -10.973 -3.575 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 6.433 -12.361 -3.941 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 9.363 -26.934 3.187 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 9.440 -27.529 3.943 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 8.622 -27.304 2.664 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 6.985 -19.321 11.269 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 7.807 -19.376 11.791 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 7.256 -19.594 10.368 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 14.882 -13.841 9.222 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 14.194 -14.048 8.579 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 15.699 -13.869 8.714 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 9.130 -15.258 9.318 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 9.995 -15.591 8.981 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 8.504 -15.440 8.589 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 10.400 -21.091 8.204 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 10.718 -20.814 7.310 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 10.212 -22.035 8.104 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 7.978 -19.954 8.743 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 7.915 -19.350 7.993 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 8.881 -20.340 8.664 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 7.562 -24.857 8.413 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 8.118 -24.647 7.638 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 7.191 -23.987 8.679 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 15.274 -18.232 12.373 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 14.779 -17.463 12.742 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 16.187 -17.933 12.355 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 7.186 -22.693 11.608 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 7.737 -23.456 11.869 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 7.452 -21.983 12.234 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 14.355 -15.893 13.386 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 14.469 -15.097 12.816 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 14.036 -15.539 14.220 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 12.416 -17.134 5.799 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 11.854 -17.574 5.137 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 13.075 -17.816 6.045 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 13.937 -20.400 11.463 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 14.365 -19.572 11.800 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 14.650 -21.049 11.466 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 8.457 -18.518 17.023 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 8.774 -18.260 17.918 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 8.590 -19.487 16.992 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 7.831 -20.787 5.361 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 7.162 -20.081 5.273 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 8.423 -20.642 4.602 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 8.194 -16.391 11.697 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 8.575 -15.955 10.905 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 8.790 -17.137 11.870 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 5.094 -18.527 14.901 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 5.976 -18.147 15.104 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 5.151 -19.444 15.233 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 8.507 -26.323 10.597 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 8.309 -25.813 9.785 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 8.390 -27.255 10.325 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 7.973 -21.249 13.779 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 7.235 -21.116 14.417 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 8.560 -21.893 14.227 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 11.441 -20.311 5.825 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 11.154 -19.759 5.075 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 12.368 -20.042 5.979 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 9.138 -18.942 12.953 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 8.701 -19.711 13.386 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 10.062 -19.249 12.808 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 12.706 -19.590 9.049 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 11.860 -20.073 8.973 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 13.060 -19.861 9.920 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 8.532 -19.661 2.914 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 8.565 -19.243 2.019 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 7.813 -19.159 3.385 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 11.246 -21.030 0.504 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 12.038 -20.511 0.351 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 10.682 -20.846 -0.274 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 9.287 -17.880 19.535 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.524 -18.179 20.069 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 10.041 -17.905 20.163 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 8.793 -23.282 6.230 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 8.885 -23.673 5.336 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.601 -22.341 6.058 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 11.407 -16.349 8.244 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 11.731 -16.454 7.323 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 11.787 -17.102 8.715 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 6.146 -14.570 14.073 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 7.086 -14.629 14.355 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 6.091 -13.708 13.617 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 7.380 -15.390 7.083 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.885 -15.743 6.309 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 7.018 -14.502 7.208 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 9.866 -23.301 1.167 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 10.442 -22.502 1.126 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 9.528 -23.308 2.085 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 7.663 -15.953 -1.796 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 8.331 -15.676 -1.135 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 7.970 -16.844 -2.089 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 5.940 -20.216 -2.590 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 5.967 -21.171 -2.382 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 4.983 -19.983 -2.523 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 6.626 -22.369 8.954 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 6.729 -22.443 9.930 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 7.018 -21.498 8.741 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 7.038 -13.872 3.597 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 6.716 -14.753 3.926 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 7.981 -14.031 3.375 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 10.161 -14.013 19.969 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 10.733 -14.772 20.141 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 10.041 -13.597 20.850 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 4.578 -23.195 12.257 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 4.695 -24.072 11.863 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 5.432 -22.746 12.095 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 11.480 -16.401 2.169 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 11.217 -17.172 2.716 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 12.443 -16.425 2.177 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 6.134 -21.132 15.803 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 5.750 -22.018 15.976 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 6.879 -21.069 16.432 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 10.661 -18.354 3.997 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 10.058 -17.690 4.417 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 10.050 -18.952 3.507 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.447 -20.390 12.683 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 11.404 -21.296 13.001 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 12.330 -20.322 12.266 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 9.539 -23.250 14.898 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 9.272 -23.798 14.126 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 10.154 -23.811 15.385 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 8.551 -24.822 12.849 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.912 -25.378 13.306 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.756 -25.325 12.020 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 8.863 -21.269 16.836 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.504 -21.377 17.576 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 9.138 -21.941 16.187 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 12.961 -28.795 21.736 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 12.437 -28.479 22.503 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 12.909 -28.073 21.104 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 8.990 -16.520 5.047 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 8.075 -16.710 4.714 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.844 -16.168 5.943 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 7.954 -8.916 5.399 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 8.271 -9.126 6.302 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 7.691 -9.790 5.032 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.049 -11.444 4.886 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.106 -12.288 4.396 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 6.936 -11.716 5.818 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 4.982 -14.966 16.589 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 5.409 -14.874 15.714 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 4.839 -15.914 16.685 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 7.559 -17.375 14.786 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 7.886 -17.680 15.670 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.253 -17.666 14.166 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 6.222 -11.951 13.080 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 6.168 -11.045 12.695 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 7.100 -11.965 13.519 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 14.592 -13.565 11.947 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 14.556 -12.606 12.000 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 14.673 -13.749 10.985 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.103 -12.462 9.181 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.262 -12.464 8.685 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 9.304 -13.411 9.313 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 10.351 -13.787 12.672 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 10.705 -14.626 12.359 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.833 -14.026 13.465 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 7.691 -28.595 6.693 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 6.886 -28.068 6.535 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 7.797 -29.116 5.871 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 5.187 -27.482 6.222 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 4.771 -27.128 5.410 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 4.786 -28.374 6.323 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 13.889 -19.275 6.640 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 14.798 -19.584 6.717 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 13.530 -19.347 7.559 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.676 -14.595 3.221 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 9.483 -15.165 3.995 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.469 -15.002 2.825 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.649 -24.204 3.566 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.114 -25.062 3.596 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 7.844 -24.393 3.028 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 12.149 -25.263 22.188 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 11.513 -24.852 21.575 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 13.020 -24.972 21.858 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 18.208 -17.314 26.123 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 18.295 -17.895 25.334 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 19.041 -16.831 26.152 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 14.370 -17.528 28.067 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 15.205 -17.888 28.425 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 14.573 -17.360 27.121 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 9.751 -16.100 27.297 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 9.642 -15.739 28.207 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 10.536 -16.692 27.369 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.945 -18.050 31.333 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.553 -18.657 30.858 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 10.085 -18.258 32.270 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.731 -27.657 33.850 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.045 -28.221 33.137 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 10.166 -28.002 34.637 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 15.530 -17.187 25.614 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 16.478 -17.138 25.856 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 15.518 -17.750 24.809 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 11.686 -17.942 27.873 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 12.631 -17.673 27.940 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 11.569 -18.576 28.609 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.409 -15.603 29.953 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 9.742 -16.323 30.523 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.850 -15.069 30.545 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 5.734 -16.998 22.689 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 6.263 -17.273 23.461 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 5.522 -16.055 22.863 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 18.473 -18.618 23.678 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 18.978 -19.446 23.496 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 18.688 -18.043 22.933 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 12.827 -22.717 20.192 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 12.444 -22.197 20.915 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.596 -23.161 20.599 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 14.839 -15.519 29.896 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 14.386 -16.180 29.334 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 15.774 -15.657 29.710 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 7.289 -18.479 35.772 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.450 -18.764 35.346 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 7.004 -17.913 36.496 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 9.092 -19.714 34.167 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.394 -20.041 33.591 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.610 -19.192 34.854 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.648 -18.618 29.991 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 8.501 -18.453 30.456 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 7.088 -17.843 30.248 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 6.367 -11.477 27.105 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 6.292 -11.838 28.008 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 6.022 -12.195 26.538 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 6.262 -16.440 30.779 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 6.770 -15.666 31.108 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 5.349 -16.089 30.659 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 13.273 -22.548 26.875 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.918 -21.664 26.623 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 13.315 -22.514 27.850 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 15.667 -18.638 23.332 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 16.620 -18.838 23.364 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 15.240 -19.510 23.162 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 17.097 -17.882 28.697 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 17.265 -18.855 28.643 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 17.516 -17.528 27.890 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 17.358 -20.553 28.391 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 17.554 -21.269 29.025 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 16.679 -20.924 27.818 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 9.592 -23.690 32.724 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 9.841 -23.148 33.514 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 9.071 -24.439 33.103 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 11.087 -21.576 18.434 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.661 -22.188 18.948 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 11.656 -20.823 18.248 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 15.406 -21.118 30.797 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 15.755 -20.239 31.072 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 16.205 -21.655 30.656 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 14.136 -20.901 22.926 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 13.977 -21.725 23.428 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 13.254 -20.536 22.785 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 12.140 -20.191 26.248 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 12.056 -19.314 26.666 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 11.575 -20.132 25.453 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 10.309 -20.250 24.197 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 10.471 -20.682 23.327 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 10.073 -19.322 23.962 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 11.213 -19.947 29.731 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 12.057 -20.445 29.797 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.613 -20.564 29.290 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 13.132 -21.930 29.635 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 13.986 -21.562 29.971 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.805 -22.482 30.378 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.489 -17.696 23.775 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.571 -17.903 24.049 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.598 -16.746 24.010 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 7.464 -22.341 31.599 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 6.772 -22.885 32.035 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 8.302 -22.690 31.963 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.118 -14.031 27.271 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.345 -13.446 27.117 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.342 -13.887 28.196 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 7.280 -21.756 20.074 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 7.376 -20.799 19.970 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 7.099 -21.874 21.026 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 13.734 -15.311 24.935 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 13.540 -14.841 25.781 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 14.444 -15.945 25.175 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 7.959 -25.548 33.819 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 7.501 -25.578 34.692 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 8.496 -26.373 33.800 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 9.179 -12.327 30.051 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.592 -12.693 29.257 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 9.909 -12.321 30.721 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.715 -13.711 24.113 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 12.566 -14.189 24.239 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.031 -14.400 24.256 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 7.249 -18.868 21.146 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 7.277 -19.283 22.017 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 6.637 -18.114 21.264 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 19.918 -20.765 22.861 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 20.807 -21.004 23.147 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 19.670 -21.462 22.245 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 17.559 -22.768 30.115 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 18.424 -22.973 30.490 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 17.150 -23.630 29.971 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.660 -23.333 24.230 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.662 -23.081 25.184 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 13.063 -24.093 24.190 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.098 -18.003 21.552 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 10.514 -17.874 22.325 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 11.986 -17.725 21.875 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.498 -27.047 26.370 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.843 -27.190 27.254 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 10.557 -27.335 26.429 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 8.491 -14.347 17.794 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.439 -15.312 17.785 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.080 -14.146 18.556 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 13.333 -17.171 22.828 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.185 -17.642 22.910 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 13.400 -16.444 23.475 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 7.008 -18.424 24.706 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 6.353 -19.159 24.676 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 7.126 -18.245 25.666 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 10.406 -22.061 34.698 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 10.797 -21.997 35.575 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 9.998 -21.177 34.551 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 14.632 -24.093 21.746 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 14.489 -23.741 22.650 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 15.569 -24.315 21.723 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 12.193 -23.253 31.814 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 11.328 -23.461 32.219 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.766 -23.062 32.566 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 16.596 -18.721 31.324 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 16.830 -18.054 31.974 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 16.823 -18.313 30.467 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 6.034 -13.418 18.651 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 5.543 -13.927 17.975 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 6.972 -13.621 18.463 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 7.372 -10.287 29.951 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 7.382 -10.033 29.020 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 8.073 -10.972 30.020 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.481 -15.148 24.751 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 8.992 -14.301 24.795 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.548 -15.437 25.691 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 9.951 -23.528 29.959 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 9.636 -23.785 30.846 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 10.918 -23.545 30.040 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 5.776 -24.088 32.994 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 6.568 -24.644 33.170 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 5.048 -24.564 33.451 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 5.823 -20.747 30.090 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 6.409 -21.310 30.636 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 6.261 -19.879 30.089 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 6.344 -25.259 36.010 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 5.451 -25.276 35.602 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 6.244 -24.686 36.774 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 11.173 -12.447 31.854 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.323 -12.334 32.796 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 12.013 -12.845 31.523 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 10.950 -12.506 26.488 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 10.030 -12.285 26.294 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 11.317 -12.776 25.623 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 13.592 -13.446 31.157 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 13.914 -14.297 30.781 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 14.386 -12.913 31.243 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 11.528 -27.517 23.680 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 11.704 -26.664 23.226 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.648 -27.311 24.635 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.984 -12.546 22.380 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 10.756 -12.812 22.931 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 9.241 -12.536 23.006 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.763 -21.382 21.704 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 10.593 -20.709 21.028 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 10.364 -22.200 21.334 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.211 -11.202 19.987 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.151 -11.436 20.937 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 10.308 -12.058 19.540 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.128 2.154 -8.105 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.677 2.282 -7.303 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.713 2.442 -8.842 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 3.485 -8.567 -11.101 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 3.809 -9.444 -11.321 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 4.257 -8.125 -10.679 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 4.279 1.767 -11.061 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 3.801 2.029 -11.876 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 3.704 1.082 -10.659 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 12.351 1.311 -10.123 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 11.744 0.579 -9.912 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 13.224 0.882 -10.203 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.188 -6.863 -10.757 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 8.287 -6.342 -11.581 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 9.092 -7.011 -10.460 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.924 -1.237 -12.209 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 13.575 -0.883 -11.558 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 13.468 -1.544 -12.944 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 12.409 -9.527 -6.025 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 12.753 -8.822 -6.623 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 13.195 -9.990 -5.730 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 13.338 0.998 -4.861 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.658 0.707 -5.728 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 13.737 1.870 -4.740 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 9.513 2.983 -5.837 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.957 3.730 -6.304 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.919 3.424 -5.194 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 2.508 2.544 -13.078 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 3.067 2.595 -13.890 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 1.612 2.441 -13.418 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 10.075 -0.354 -10.051 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.456 0.284 -9.673 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 9.966 -0.249 -11.022 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 9.981 2.716 -10.089 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 9.914 3.080 -10.977 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 10.895 2.351 -10.046 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 10.416 -0.277 -12.782 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.341 -0.550 -12.581 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 10.502 0.302 -13.547 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 5.648 1.132 -8.778 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 5.413 1.325 -9.710 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 6.580 1.420 -8.699 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 8.333 0.055 -3.086 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 9.030 0.065 -3.780 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.786 0.371 -2.295 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 13.472 -7.593 -7.599 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 13.510 -7.600 -8.581 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.687 -6.684 -7.363 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 11.302 -2.742 -10.537 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 10.807 -2.007 -10.114 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 11.954 -2.291 -11.110 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 5.677 -7.472 -9.901 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 6.643 -7.386 -10.073 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 5.614 -7.569 -8.930 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.654 -6.916 -10.248 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 14.232 -6.882 -11.012 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.480 -5.974 -10.034 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.702 -3.020 -12.801 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 9.708 -2.057 -12.934 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.215 -3.150 -11.980 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 7.513 -2.385 0.812 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 7.988 -3.221 0.648 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.213 -2.105 -0.083 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 14.595 -0.405 -10.236 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 14.393 -1.011 -9.479 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 15.527 -0.185 -10.118 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 8.238 -5.274 -13.055 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 8.767 -4.441 -12.996 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 8.238 -5.487 -13.995 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 13.951 -2.083 -8.224 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 13.491 -2.164 -7.372 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 13.831 -2.961 -8.645 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 13.652 -1.184 -3.234 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 14.526 -1.045 -2.846 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 13.473 -0.354 -3.727 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 7.495 4.008 -4.196 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 7.110 3.375 -3.557 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 7.353 4.872 -3.788 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 13.066 -4.425 -9.324 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.744 -4.615 -8.412 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 12.323 -3.937 -9.745 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 9.707 -9.814 -6.279 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 10.654 -9.594 -6.130 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 9.714 -10.752 -6.482 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 3.966 2.594 -15.368 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 4.847 2.983 -15.393 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 3.807 2.306 -16.272 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 6.792 -1.934 -1.761 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 6.783 -2.671 -2.410 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 7.253 -1.214 -2.230 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 7.021 -3.729 -3.795 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 7.091 -4.567 -4.264 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 7.005 -3.057 -4.507 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 10.526 0.598 -4.763 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 11.480 0.765 -4.667 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 10.194 1.381 -5.253 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 12.381 -2.087 -5.633 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 12.780 -1.903 -4.761 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 11.573 -1.547 -5.644 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 12.468 -4.676 -6.687 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 12.076 -5.306 -6.072 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 12.448 -3.823 -6.205 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 12.396 -2.840 -1.233 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 11.973 -2.081 -0.822 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 12.857 -2.466 -2.006 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 8.591 -4.767 -0.457 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 8.266 -4.601 -1.353 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 8.812 -5.726 -0.455 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 11.292 -4.951 0.292 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 10.391 -4.708 0.006 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 11.871 -4.317 -0.183 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 3.483 3.545 -8.967 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 2.670 3.780 -9.471 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 4.069 3.156 -9.639 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 6.117 1.706 -3.268 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 5.817 1.736 -4.191 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 6.854 1.056 -3.275 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 6.995 -9.251 -6.016 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 7.962 -9.308 -6.179 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 6.811 -10.004 -5.420 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 4.829 -9.570 -2.631 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 4.162 -9.014 -3.094 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 5.611 -8.985 -2.543 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 5.509 1.829 0.983 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 5.488 2.789 1.154 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 5.037 1.729 0.138 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.498 -7.381 -0.480 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 10.451 -7.499 -0.620 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.309 -7.908 0.332 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 6.506 -4.448 9.838 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 7.056 -3.653 9.654 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 7.110 -5.205 9.653 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 9.551 -4.474 9.995 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.200 -3.581 9.809 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 9.900 -4.778 9.127 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.864 -11.365 11.595 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 10.234 -12.185 12.002 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 9.603 -11.649 10.693 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 6.359 -0.358 2.382 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 6.852 -0.930 1.755 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 6.209 0.476 1.878 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 6.902 -2.060 6.963 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 6.119 -2.635 7.027 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 7.083 -2.012 5.999 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.263 -4.877 7.359 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.698 -4.220 6.808 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 9.908 -5.528 6.720 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 7.497 -6.938 9.228 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 8.133 -7.457 9.764 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 6.717 -7.528 9.147 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 6.757 -6.001 6.755 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.096 -6.280 7.635 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 7.559 -5.987 6.186 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 12.315 -7.422 0.840 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 12.193 -7.398 1.798 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 12.098 -6.511 0.549 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 7.140 -2.193 4.245 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 6.850 -1.406 3.739 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 7.772 -2.626 3.662 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 9.084 -6.369 5.294 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 8.861 -7.324 5.281 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 9.452 -6.196 4.396 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 6.876 -11.863 7.617 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 7.387 -11.032 7.737 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 5.955 -11.613 7.865 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 3.830 -0.353 3.438 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 4.768 -0.258 3.149 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 3.316 0.042 2.707 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 13.598 -9.801 1.279 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 13.188 -8.980 0.928 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 14.536 -9.684 1.114 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 8.732 -9.859 7.984 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 8.699 -9.382 8.840 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 9.346 -10.598 8.149 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 7.240 -9.163 17.300 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 7.158 -10.114 17.442 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 7.962 -8.890 17.917 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 4.014 1.994 -1.438 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 4.791 1.762 -1.995 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 3.437 2.508 -2.044 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 6.629 -3.599 12.488 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 6.438 -3.973 11.603 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 7.529 -3.919 12.689 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 8.048 -8.603 14.706 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 7.711 -7.702 14.519 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 7.825 -8.748 15.653 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 8.602 -9.043 10.635 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 9.217 -9.687 11.042 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 7.805 -9.085 11.203 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 8.889 -5.203 12.518 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 9.724 -5.461 12.923 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 9.125 -5.027 11.573 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 6.082 -7.881 3.577 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 6.828 -8.000 4.202 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 6.188 -8.625 2.940 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 9.222 -8.680 1.903 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 8.413 -9.185 2.121 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 9.958 -9.315 2.087 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 11.199 -10.493 2.333 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 12.097 -10.305 1.977 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 11.290 -11.348 2.763 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 9.942 -6.148 2.691 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.652 -7.016 2.334 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 10.377 -5.712 1.940 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.729 -11.232 14.111 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 8.660 -10.292 14.378 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.227 -11.205 13.264 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 6.432 -8.230 22.732 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 6.589 -8.825 23.494 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 7.159 -8.420 22.131 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.268 -12.667 24.897 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 7.470 -13.107 25.262 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 7.988 -11.737 24.776 1.00 0.00 WAT1 END