REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1272.63, 67.0112, 83.5113, 55.761, 398.648, -361.694, -1518.92, 2.65103, 0.408208 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.955826E-03,0.46813,1.49927,42.5545,4.672063E-03,0.262822 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 23, 9 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:04 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -22.952 -9.573 -1.941 1.00 72.21 ATOM 2 CB MET 1 -23.949 -10.360 -0.207 1.00 64.54 ATOM 3 HB1 MET 1 -23.687 -10.962 0.653 1.00 38.69 ATOM 4 HB2 MET 1 -24.737 -10.859 -0.753 1.00 62.32 ATOM 5 CG MET 1 -24.492 -9.026 0.289 1.00 21.12 ATOM 6 HG1 MET 1 -23.727 -8.533 0.873 1.00 38.69 ATOM 7 HG2 MET 1 -25.356 -9.213 0.913 1.00 52.43 ATOM 8 SD MET 1 -24.977 -7.937 -1.064 1.00 62.30 ATOM 9 CE MET 1 -25.715 -6.579 -0.156 1.00 4.34 ATOM 10 HE1 MET 1 -24.981 -6.148 0.509 1.00 64.23 ATOM 11 HE2 MET 1 -26.553 -6.944 0.421 1.00 35.34 ATOM 12 HE3 MET 1 -26.058 -5.827 -0.851 1.00 2.32 ATOM 13 C MET 1 -21.528 -9.651 -0.339 1.00 70.15 ATOM 14 O MET 1 -21.199 -8.473 -0.482 1.00 12.40 ATOM 15 N MET 1 -22.380 -11.569 -1.696 1.00 32.15 ATOM 16 HT1 MET 1 -23.167 -11.914 -2.279 1.00 38.69 ATOM 17 HT2 MET 1 -22.204 -12.258 -0.938 1.00 38.69 ATOM 18 HT3 MET 1 -21.528 -11.501 -2.289 1.00 38.69 ATOM 19 CA MET 1 -22.718 -10.238 -1.120 1.00 33.31 ATOM 20 N GLY 2 -20.892 -10.477 0.497 1.00 2.01 ATOM 21 HN GLY 2 -21.249 -11.376 0.646 1.00 38.69 ATOM 22 CA GLY 2 -19.683 -10.059 1.203 1.00 34.33 ATOM 23 HA1 GLY 2 -19.664 -10.537 2.171 1.00 38.69 ATOM 24 HA2 GLY 2 -19.708 -8.986 1.344 1.00 41.22 ATOM 25 C GLY 2 -18.408 -10.434 0.447 1.00 61.14 ATOM 26 O GLY 2 -18.443 -11.256 -0.469 1.00 25.42 ATOM 27 N HIS 3 -17.277 -9.833 0.820 1.00 13.22 ATOM 28 HN HIS 3 -17.294 -9.211 1.579 1.00 38.69 ATOM 29 CA HIS 3 -16.006 -10.096 0.128 1.00 70.31 ATOM 30 HA HIS 3 -15.862 -11.167 0.111 1.00 61.31 ATOM 31 CB HIS 3 -16.065 -9.586 -1.325 1.00 23.44 ATOM 32 HB1 HIS 3 -16.795 -10.168 -1.870 1.00 38.69 ATOM 33 HB2 HIS 3 -15.096 -9.721 -1.785 1.00 33.35 ATOM 34 CG HIS 3 -16.437 -8.135 -1.458 1.00 64.12 ATOM 35 ND1 HIS 3 -17.717 -7.711 -1.745 1.00 44.02 ATOM 36 HD1 HIS 3 -18.495 -8.292 -1.892 1.00 23.14 ATOM 37 CD2 HIS 3 -15.689 -7.007 -1.356 1.00 15.31 ATOM 38 HD2 HIS 3 -14.632 -6.957 -1.140 1.00 61.24 ATOM 39 CE1 HIS 3 -17.742 -6.395 -1.815 1.00 14.21 ATOM 40 HE1 HIS 3 -18.612 -5.791 -2.024 1.00 74.42 ATOM 41 NE2 HIS 3 -16.527 -5.943 -1.582 1.00 73.32 ATOM 42 HE2 HIS 3 -16.297 -4.998 -1.443 1.00 38.69 ATOM 43 C HIS 3 -14.809 -9.459 0.847 1.00 51.30 ATOM 44 O HIS 3 -14.893 -8.334 1.341 1.00 74.32 ATOM 45 N HIS 4 -13.694 -10.184 0.898 1.00 61.35 ATOM 46 HN HIS 4 -13.714 -11.116 0.583 1.00 38.69 ATOM 47 CA HIS 4 -12.439 -9.624 1.407 1.00 11.21 ATOM 48 HA HIS 4 -12.654 -9.113 2.336 1.00 52.42 ATOM 49 CB HIS 4 -11.403 -10.730 1.667 1.00 53.03 ATOM 50 HB1 HIS 4 -10.454 -10.272 1.916 1.00 38.69 ATOM 51 HB2 HIS 4 -11.284 -11.319 0.769 1.00 63.11 ATOM 52 CG HIS 4 -11.766 -11.666 2.781 1.00 30.34 ATOM 53 ND1 HIS 4 -11.658 -11.329 4.113 1.00 52.51 ATOM 54 HD1 HIS 4 -11.369 -10.460 4.464 1.00 52.50 ATOM 55 CD2 HIS 4 -12.219 -12.944 2.760 1.00 2.31 ATOM 56 HD2 HIS 4 -12.430 -13.535 1.881 1.00 33.14 ATOM 57 CE1 HIS 4 -12.022 -12.351 4.858 1.00 10.52 ATOM 58 HE1 HIS 4 -12.036 -12.373 5.937 1.00 43.44 ATOM 59 NE2 HIS 4 -12.369 -13.342 4.065 1.00 75.44 ATOM 60 HE2 HIS 4 -12.859 -14.139 4.357 1.00 38.69 ATOM 61 C HIS 4 -11.867 -8.616 0.403 1.00 14.13 ATOM 62 O HIS 4 -11.726 -8.929 -0.781 1.00 60.12 ATOM 63 N HIS 5 -11.545 -7.411 0.871 1.00 50.31 ATOM 64 HN HIS 5 -11.697 -7.209 1.819 1.00 38.69 ATOM 65 CA HIS 5 -10.975 -6.376 -0.001 1.00 70.12 ATOM 66 HA HIS 5 -11.687 -6.189 -0.793 1.00 64.15 ATOM 67 CB HIS 5 -10.751 -5.075 0.782 1.00 61.21 ATOM 68 HB1 HIS 5 -9.953 -5.223 1.496 1.00 38.69 ATOM 69 HB2 HIS 5 -11.657 -4.821 1.312 1.00 41.24 ATOM 70 CG HIS 5 -10.387 -3.905 -0.085 1.00 75.34 ATOM 71 ND1 HIS 5 -11.323 -3.164 -0.776 1.00 71.43 ATOM 72 HD1 HIS 5 -12.295 -3.314 -0.771 1.00 3.25 ATOM 73 CD2 HIS 5 -9.187 -3.348 -0.377 1.00 13.23 ATOM 74 HD2 HIS 5 -8.222 -3.671 -0.009 1.00 52.41 ATOM 75 CE1 HIS 5 -10.719 -2.208 -1.450 1.00 4.32 ATOM 76 HE1 HIS 5 -11.201 -1.476 -2.080 1.00 54.25 ATOM 77 NE2 HIS 5 -9.425 -2.296 -1.227 1.00 71.12 ATOM 78 HE2 HIS 5 -8.740 -1.796 -1.719 1.00 38.69 ATOM 79 C HIS 5 -9.658 -6.859 -0.635 1.00 41.15 ATOM 80 O HIS 5 -9.354 -6.539 -1.786 1.00 74.53 ATOM 81 N HIS 6 -8.875 -7.621 0.132 1.00 71.44 ATOM 82 HN HIS 6 -9.094 -7.718 1.082 1.00 38.69 ATOM 83 CA HIS 6 -7.696 -8.312 -0.401 1.00 60.43 ATOM 84 HA HIS 6 -7.241 -7.673 -1.145 1.00 52.15 ATOM 85 CB HIS 6 -6.681 -8.584 0.727 1.00 22.55 ATOM 86 HB1 HIS 6 -7.071 -9.360 1.372 1.00 38.69 ATOM 87 HB2 HIS 6 -6.551 -7.682 1.307 1.00 35.34 ATOM 88 CG HIS 6 -5.321 -9.020 0.252 1.00 63.34 ATOM 89 ND1 HIS 6 -4.180 -8.272 0.450 1.00 32.24 ATOM 90 HD1 HIS 6 -4.135 -7.400 0.899 1.00 1.33 ATOM 91 CD2 HIS 6 -4.917 -10.144 -0.392 1.00 74.52 ATOM 92 HD2 HIS 6 -5.548 -10.962 -0.713 1.00 65.11 ATOM 93 CE1 HIS 6 -3.140 -8.910 -0.050 1.00 10.11 ATOM 94 HE1 HIS 6 -2.118 -8.558 -0.041 1.00 43.01 ATOM 95 NE2 HIS 6 -3.559 -10.046 -0.565 1.00 60.22 ATOM 96 HE2 HIS 6 -3.002 -10.670 -1.082 1.00 38.69 ATOM 97 C HIS 6 -8.136 -9.628 -1.071 1.00 43.22 ATOM 98 O HIS 6 -8.053 -10.705 -0.474 1.00 2.22 ATOM 99 N HIS 7 -8.623 -9.524 -2.308 1.00 1.51 ATOM 100 HN HIS 7 -8.547 -8.664 -2.775 1.00 38.69 ATOM 101 CA HIS 7 -9.283 -10.652 -2.984 1.00 74.14 ATOM 102 HA HIS 7 -9.614 -11.342 -2.220 1.00 75.21 ATOM 103 CB HIS 7 -10.517 -10.142 -3.747 1.00 3.23 ATOM 104 HB1 HIS 7 -10.195 -9.673 -4.667 1.00 38.69 ATOM 105 HB2 HIS 7 -11.029 -9.407 -3.140 1.00 41.13 ATOM 106 CG HIS 7 -11.504 -11.219 -4.096 1.00 31.40 ATOM 107 ND1 HIS 7 -11.407 -12.001 -5.229 1.00 4.11 ATOM 108 HD1 HIS 7 -10.695 -11.951 -5.902 1.00 65.45 ATOM 109 CD2 HIS 7 -12.619 -11.643 -3.451 1.00 44.31 ATOM 110 HD2 HIS 7 -13.008 -11.255 -2.520 1.00 44.32 ATOM 111 CE1 HIS 7 -12.412 -12.853 -5.265 1.00 55.13 ATOM 112 HE1 HIS 7 -12.594 -13.584 -6.040 1.00 74.20 ATOM 113 NE2 HIS 7 -13.160 -12.656 -4.201 1.00 63.24 ATOM 114 HE2 HIS 7 -13.926 -13.213 -3.939 1.00 38.69 ATOM 115 C HIS 7 -8.338 -11.406 -3.944 1.00 22.31 ATOM 116 O HIS 7 -8.760 -12.339 -4.630 1.00 52.05 ATOM 117 N HIS 8 -7.068 -11.004 -4.001 1.00 12.22 ATOM 118 HN HIS 8 -6.789 -10.225 -3.475 1.00 38.69 ATOM 119 CA HIS 8 -6.076 -11.700 -4.836 1.00 43.51 ATOM 120 HA HIS 8 -6.461 -12.692 -5.035 1.00 11.04 ATOM 121 CB HIS 8 -5.890 -10.974 -6.181 1.00 65.15 ATOM 122 HB1 HIS 8 -6.791 -11.091 -6.767 1.00 38.69 ATOM 123 HB2 HIS 8 -5.066 -11.426 -6.714 1.00 63.20 ATOM 124 CG HIS 8 -5.603 -9.504 -6.065 1.00 14.11 ATOM 125 ND1 HIS 8 -6.568 -8.535 -6.239 1.00 4.24 ATOM 126 HD1 HIS 8 -7.518 -8.697 -6.430 1.00 31.12 ATOM 127 CD2 HIS 8 -4.450 -8.836 -5.816 1.00 62.34 ATOM 128 HD2 HIS 8 -3.480 -9.276 -5.631 1.00 73.14 ATOM 129 CE1 HIS 8 -6.025 -7.342 -6.104 1.00 53.03 ATOM 130 HE1 HIS 8 -6.544 -6.399 -6.192 1.00 13.33 ATOM 131 NE2 HIS 8 -4.743 -7.494 -5.845 1.00 34.12 ATOM 132 HE2 HIS 8 -4.162 -6.783 -5.494 1.00 38.69 ATOM 133 C HIS 8 -4.729 -11.857 -4.109 1.00 11.21 ATOM 134 O HIS 8 -4.306 -10.966 -3.369 1.00 51.13 ATOM 135 N SER 9 -4.074 -13.002 -4.335 1.00 23.00 ATOM 136 HN SER 9 -4.462 -13.644 -4.966 1.00 38.69 ATOM 137 CA SER 9 -2.794 -13.345 -3.682 1.00 4.42 ATOM 138 HA SER 9 -2.452 -14.272 -4.124 1.00 21.54 ATOM 139 CB SER 9 -1.727 -12.268 -3.934 1.00 30.54 ATOM 140 HB1 SER 9 -2.109 -11.308 -3.617 1.00 38.69 ATOM 141 HB2 SER 9 -1.494 -12.230 -4.987 1.00 20.03 ATOM 142 OG SER 9 -0.530 -12.540 -3.215 1.00 30.31 ATOM 143 HG SER 9 -0.023 -13.216 -3.680 1.00 72.03 ATOM 144 C SER 9 -2.957 -13.570 -2.172 1.00 44.34 ATOM 145 O SER 9 -3.066 -12.619 -1.397 1.00 64.33 ATOM 146 N HIS 10 -2.989 -14.837 -1.762 1.00 53.11 ATOM 147 HN HIS 10 -2.988 -15.552 -2.433 1.00 38.69 ATOM 148 CA HIS 10 -3.038 -15.190 -0.339 1.00 35.43 ATOM 149 HA HIS 10 -3.613 -14.426 0.170 1.00 35.03 ATOM 150 CB HIS 10 -3.732 -16.553 -0.141 1.00 31.50 ATOM 151 HB1 HIS 10 -4.715 -16.512 -0.592 1.00 38.69 ATOM 152 HB2 HIS 10 -3.843 -16.739 0.917 1.00 5.22 ATOM 153 CG HIS 10 -2.999 -17.728 -0.736 1.00 42.11 ATOM 154 ND1 HIS 10 -3.303 -18.263 -1.973 1.00 73.33 ATOM 155 HD1 HIS 10 -3.997 -17.937 -2.586 1.00 42.32 ATOM 156 CD2 HIS 10 -1.988 -18.491 -0.246 1.00 64.42 ATOM 157 HD2 HIS 10 -1.492 -18.365 0.707 1.00 63.33 ATOM 158 CE1 HIS 10 -2.517 -19.294 -2.212 1.00 54.41 ATOM 159 HE1 HIS 10 -2.532 -19.906 -3.102 1.00 21.00 ATOM 160 NE2 HIS 10 -1.713 -19.452 -1.184 1.00 14.02 ATOM 161 HE2 HIS 10 -0.969 -20.092 -1.144 1.00 38.69 ATOM 162 C HIS 10 -1.620 -15.222 0.259 1.00 40.22 ATOM 163 O HIS 10 -0.656 -15.527 -0.446 1.00 63.11 ATOM 164 N PRO 11 -1.470 -14.910 1.563 1.00 70.21 ATOM 165 CA PRO 11 -0.155 -14.924 2.236 1.00 60.52 ATOM 166 HA PRO 11 0.514 -14.196 1.798 1.00 23.50 ATOM 167 CB PRO 11 -0.485 -14.515 3.685 1.00 14.53 ATOM 168 HB1 PRO 11 -0.252 -13.469 3.827 1.00 38.69 ATOM 169 HB2 PRO 11 0.095 -15.111 4.377 1.00 1.12 ATOM 170 CG PRO 11 -1.949 -14.770 3.840 1.00 54.43 ATOM 171 HG1 PRO 11 -2.367 -14.093 4.571 1.00 38.69 ATOM 172 HG2 PRO 11 -2.115 -15.796 4.140 1.00 33.52 ATOM 173 CD PRO 11 -2.554 -14.517 2.485 1.00 15.44 ATOM 174 HD1 PRO 11 -2.803 -13.472 2.366 1.00 38.69 ATOM 175 HD2 PRO 11 -3.431 -15.134 2.339 1.00 40.14 ATOM 176 C PRO 11 0.516 -16.312 2.203 1.00 21.51 ATOM 177 O PRO 11 -0.139 -17.332 2.425 1.00 42.53 ATOM 178 N ASN 12 1.821 -16.339 1.919 1.00 43.13 ATOM 179 HN ASN 12 2.280 -15.496 1.729 1.00 38.69 ATOM 180 CA ASN 12 2.589 -17.595 1.870 1.00 62.31 ATOM 181 HA ASN 12 2.092 -18.257 1.175 1.00 22.14 ATOM 182 CB ASN 12 4.013 -17.327 1.361 1.00 15.30 ATOM 183 HB1 ASN 12 4.577 -18.250 1.385 1.00 38.69 ATOM 184 HB2 ASN 12 4.489 -16.605 2.008 1.00 73.33 ATOM 185 CG ASN 12 4.038 -16.786 -0.057 1.00 61.12 ATOM 186 OD1 ASN 12 3.118 -16.101 -0.493 1.00 3.22 ATOM 187 ND2 ASN 12 5.089 -17.086 -0.794 1.00 60.24 ATOM 188 HD21 ASN 12 5.797 -17.638 -0.397 1.00 45.01 ATOM 189 HD22 ASN 12 5.119 -16.741 -1.711 1.00 0.04 ATOM 190 C ASN 12 2.645 -18.283 3.245 1.00 5.04 ATOM 191 O ASN 12 2.254 -17.701 4.262 1.00 23.03 ATOM 192 N GLU 13 3.157 -19.516 3.269 1.00 54.22 ATOM 193 HN GLU 13 3.528 -19.891 2.440 1.00 38.69 ATOM 194 CA GLU 13 3.192 -20.332 4.491 1.00 64.35 ATOM 195 HA GLU 13 2.169 -20.556 4.760 1.00 53.13 ATOM 196 CB GLU 13 3.928 -21.651 4.218 1.00 71.04 ATOM 197 HB1 GLU 13 4.904 -21.425 3.809 1.00 38.69 ATOM 198 HB2 GLU 13 3.367 -22.217 3.487 1.00 43.52 ATOM 199 CG GLU 13 4.118 -22.523 5.458 1.00 50.24 ATOM 200 HG1 GLU 13 3.144 -22.807 5.834 1.00 38.69 ATOM 201 HG2 GLU 13 4.636 -21.947 6.212 1.00 0.22 ATOM 202 CD GLU 13 4.923 -23.782 5.181 1.00 42.32 ATOM 203 OE1 GLU 13 4.485 -24.882 5.578 1.00 61.11 ATOM 204 OE2 GLU 13 6.007 -23.679 4.573 1.00 14.20 ATOM 205 C GLU 13 3.858 -19.599 5.669 1.00 44.11 ATOM 206 O GLU 13 3.230 -19.384 6.706 1.00 60.12 ATOM 207 N GLU 14 5.118 -19.200 5.503 1.00 33.02 ATOM 208 HN GLU 14 5.560 -19.362 4.643 1.00 38.69 ATOM 209 CA GLU 14 5.863 -18.540 6.583 1.00 40.01 ATOM 210 HA GLU 14 5.716 -19.133 7.477 1.00 33.42 ATOM 211 CB GLU 14 7.366 -18.509 6.270 1.00 31.23 ATOM 212 HB1 GLU 14 7.874 -17.943 7.039 1.00 38.69 ATOM 213 HB2 GLU 14 7.517 -18.019 5.317 1.00 0.12 ATOM 214 CG GLU 14 8.000 -19.897 6.200 1.00 32.13 ATOM 215 HG1 GLU 14 7.648 -20.395 5.306 1.00 38.69 ATOM 216 HG2 GLU 14 7.690 -20.465 7.067 1.00 44.43 ATOM 217 CD GLU 14 9.520 -19.852 6.168 1.00 52.04 ATOM 218 OE1 GLU 14 10.106 -19.925 5.065 1.00 35.45 ATOM 219 OE2 GLU 14 10.138 -19.743 7.246 1.00 65.00 ATOM 220 C GLU 14 5.340 -17.120 6.869 1.00 2.33 ATOM 221 O GLU 14 5.451 -16.624 7.993 1.00 5.43 ATOM 222 N ALA 15 4.773 -16.467 5.857 1.00 13.24 ATOM 223 HN ALA 15 4.769 -16.878 4.966 1.00 38.69 ATOM 224 CA ALA 15 4.170 -15.139 6.036 1.00 64.24 ATOM 225 HA ALA 15 4.922 -14.487 6.461 1.00 3.14 ATOM 226 CB ALA 15 3.754 -14.566 4.686 1.00 32.40 ATOM 227 HB1 ALA 15 3.370 -13.564 4.819 1.00 15.34 ATOM 228 HB2 ALA 15 2.988 -15.188 4.246 1.00 71.21 ATOM 229 HB3 ALA 15 4.612 -14.535 4.028 1.00 20.10 ATOM 230 C ALA 15 2.962 -15.190 6.988 1.00 12.12 ATOM 231 O ALA 15 2.864 -14.407 7.936 1.00 63.42 ATOM 232 N ARG 16 2.044 -16.116 6.721 1.00 63.11 ATOM 233 HN ARG 16 2.158 -16.680 5.925 1.00 38.69 ATOM 234 CA ARG 16 0.871 -16.322 7.576 1.00 14.44 ATOM 235 HA ARG 16 0.459 -15.345 7.799 1.00 21.42 ATOM 236 CB ARG 16 -0.189 -17.141 6.827 1.00 13.34 ATOM 237 HB1 ARG 16 -0.379 -16.667 5.874 1.00 38.69 ATOM 238 HB2 ARG 16 -1.103 -17.137 7.405 1.00 0.14 ATOM 239 CG ARG 16 0.201 -18.594 6.566 1.00 3.25 ATOM 240 HG1 ARG 16 0.114 -19.152 7.488 1.00 38.69 ATOM 241 HG2 ARG 16 1.226 -18.625 6.222 1.00 73.02 ATOM 242 CD ARG 16 -0.690 -19.239 5.510 1.00 4.14 ATOM 243 HD1 ARG 16 -0.506 -20.306 5.508 1.00 38.69 ATOM 244 HD2 ARG 16 -0.433 -18.832 4.542 1.00 13.31 ATOM 245 NE ARG 16 -2.112 -18.999 5.758 1.00 51.22 ATOM 246 HE ARG 16 -2.374 -18.112 6.065 1.00 64.33 ATOM 247 CZ ARG 16 -3.046 -19.884 5.556 1.00 61.21 ATOM 248 NH1 ARG 16 -2.747 -21.087 5.181 1.00 55.14 ATOM 249 HH11 ARG 16 -1.797 -21.346 5.043 1.00 4.41 ATOM 250 HH12 ARG 16 -3.475 -21.756 5.035 1.00 0.25 ATOM 251 NH2 ARG 16 -4.285 -19.567 5.737 1.00 73.32 ATOM 252 HH21 ARG 16 -4.529 -18.642 6.028 1.00 13.31 ATOM 253 HH22 ARG 16 -4.995 -20.249 5.583 1.00 2.01 ATOM 254 C ARG 16 1.260 -16.996 8.905 1.00 70.55 ATOM 255 O ARG 16 0.655 -16.736 9.945 1.00 14.13 ATOM 256 N LEU 17 2.273 -17.865 8.862 1.00 53.21 ATOM 257 HN LEU 17 2.669 -18.093 7.995 1.00 38.69 ATOM 258 CA LEU 17 2.813 -18.494 10.075 1.00 65.21 ATOM 259 HA LEU 17 2.004 -19.018 10.564 1.00 50.33 ATOM 260 CB LEU 17 3.909 -19.503 9.699 1.00 12.32 ATOM 261 HB1 LEU 17 4.620 -19.000 9.057 1.00 38.69 ATOM 262 HB2 LEU 17 3.449 -20.301 9.133 1.00 72.14 ATOM 263 CG LEU 17 4.684 -20.131 10.872 1.00 13.23 ATOM 264 HG LEU 17 5.194 -19.346 11.413 1.00 73.13 ATOM 265 CD1 LEU 17 3.739 -20.826 11.849 1.00 35.12 ATOM 266 HD11 LEU 17 3.184 -21.596 11.332 1.00 65.24 ATOM 267 HD12 LEU 17 3.052 -20.102 12.261 1.00 52.20 ATOM 268 HD13 LEU 17 4.312 -21.272 12.650 1.00 72.40 ATOM 269 CD2 LEU 17 5.739 -21.105 10.354 1.00 60.43 ATOM 270 HD21 LEU 17 5.256 -21.923 9.836 1.00 22.23 ATOM 271 HD22 LEU 17 6.311 -21.493 11.185 1.00 74.12 ATOM 272 HD23 LEU 17 6.402 -20.591 9.674 1.00 32.44 ATOM 273 C LEU 17 3.371 -17.437 11.040 1.00 11.22 ATOM 274 O LEU 17 3.290 -17.585 12.262 1.00 33.41 ATOM 275 N ASP 18 3.929 -16.368 10.479 1.00 72.04 ATOM 276 HN ASP 18 4.015 -16.334 9.503 1.00 38.69 ATOM 277 CA ASP 18 4.431 -15.245 11.274 1.00 55.12 ATOM 278 HA ASP 18 5.218 -15.620 11.913 1.00 23.54 ATOM 279 CB ASP 18 5.013 -14.179 10.344 1.00 20.31 ATOM 280 HB1 ASP 18 4.234 -13.833 9.677 1.00 38.69 ATOM 281 HB2 ASP 18 5.808 -14.618 9.759 1.00 45.14 ATOM 282 CG ASP 18 5.576 -12.989 11.094 1.00 23.45 ATOM 283 OD1 ASP 18 6.602 -13.151 11.788 1.00 1.02 ATOM 284 OD2 ASP 18 5.007 -11.883 10.981 1.00 35.01 ATOM 285 C ASP 18 3.320 -14.646 12.157 1.00 33.12 ATOM 286 O ASP 18 3.566 -14.241 13.294 1.00 32.02 ATOM 287 N ILE 19 2.096 -14.609 11.628 1.00 3.40 ATOM 288 HN ILE 19 1.973 -14.894 10.698 1.00 38.69 ATOM 289 CA ILE 19 0.930 -14.160 12.398 1.00 40.13 ATOM 290 HA ILE 19 1.079 -13.122 12.670 1.00 74.13 ATOM 291 CB ILE 19 -0.365 -14.271 11.553 1.00 31.01 ATOM 292 HB ILE 19 -0.541 -15.319 11.350 1.00 43.25 ATOM 293 CG1 ILE 19 -0.204 -13.525 10.217 1.00 52.21 ATOM 294 HG11 ILE 19 0.693 -13.872 9.722 1.00 38.69 ATOM 295 HG12 ILE 19 -0.114 -12.465 10.410 1.00 63.25 ATOM 296 CG2 ILE 19 -1.570 -13.737 12.327 1.00 33.23 ATOM 297 HG21 ILE 19 -1.683 -14.292 13.248 1.00 33.11 ATOM 298 HG22 ILE 19 -2.464 -13.851 11.730 1.00 71.21 ATOM 299 HG23 ILE 19 -1.422 -12.691 12.555 1.00 61.41 ATOM 300 CD1 ILE 19 -1.365 -13.724 9.264 1.00 54.42 ATOM 301 HD11 ILE 19 -2.269 -13.336 9.709 1.00 71.12 ATOM 302 HD12 ILE 19 -1.487 -14.780 9.062 1.00 55.13 ATOM 303 HD13 ILE 19 -1.166 -13.202 8.341 1.00 53.32 ATOM 304 C ILE 19 0.771 -15.004 13.675 1.00 71.10 ATOM 305 O ILE 19 0.642 -14.476 14.783 1.00 63.42 ATOM 306 N LEU 20 0.801 -16.324 13.503 1.00 61.42 ATOM 307 HN LEU 20 0.892 -16.679 12.593 1.00 38.69 ATOM 308 CA LEU 20 0.710 -17.265 14.623 1.00 24.41 ATOM 309 HA LEU 20 -0.209 -17.054 15.154 1.00 22.02 ATOM 310 CB LEU 20 0.652 -18.702 14.085 1.00 11.32 ATOM 311 HB1 LEU 20 0.717 -19.386 14.920 1.00 38.69 ATOM 312 HB2 LEU 20 1.510 -18.859 13.445 1.00 54.11 ATOM 313 CG LEU 20 -0.624 -19.037 13.285 1.00 55.42 ATOM 314 HG LEU 20 -0.784 -18.269 12.542 1.00 11.03 ATOM 315 CD1 LEU 20 -0.485 -20.369 12.548 1.00 12.22 ATOM 316 HD11 LEU 20 0.335 -20.307 11.845 1.00 72.15 ATOM 317 HD12 LEU 20 -1.399 -20.582 12.010 1.00 64.32 ATOM 318 HD13 LEU 20 -0.292 -21.161 13.258 1.00 52.14 ATOM 319 CD2 LEU 20 -1.845 -19.055 14.209 1.00 2.41 ATOM 320 HD21 LEU 20 -1.713 -19.810 14.972 1.00 44.23 ATOM 321 HD22 LEU 20 -2.732 -19.277 13.633 1.00 70.03 ATOM 322 HD23 LEU 20 -1.957 -18.087 14.678 1.00 74.00 ATOM 323 C LEU 20 1.886 -17.089 15.600 1.00 21.35 ATOM 324 O LEU 20 1.713 -17.202 16.814 1.00 61.40 ATOM 325 N LYS 21 3.077 -16.800 15.070 1.00 34.24 ATOM 326 HN LYS 21 3.177 -16.800 14.092 1.00 38.69 ATOM 327 CA LYS 21 4.243 -16.491 15.914 1.00 31.33 ATOM 328 HA LYS 21 4.438 -17.351 16.537 1.00 34.53 ATOM 329 CB LYS 21 5.482 -16.210 15.046 1.00 32.15 ATOM 330 HB1 LYS 21 6.290 -15.886 15.689 1.00 38.69 ATOM 331 HB2 LYS 21 5.245 -15.409 14.358 1.00 21.23 ATOM 332 CG LYS 21 5.971 -17.407 14.230 1.00 62.43 ATOM 333 HG1 LYS 21 5.144 -17.799 13.655 1.00 38.69 ATOM 334 HG2 LYS 21 6.337 -18.169 14.905 1.00 62.21 ATOM 335 CD LYS 21 7.096 -17.005 13.274 1.00 35.43 ATOM 336 HD1 LYS 21 7.921 -16.608 13.851 1.00 38.69 ATOM 337 HD2 LYS 21 6.727 -16.241 12.606 1.00 33.20 ATOM 338 CE LYS 21 7.600 -18.178 12.438 1.00 73.41 ATOM 339 HE1 LYS 21 8.227 -17.795 11.646 1.00 38.69 ATOM 340 HE2 LYS 21 6.753 -18.687 12.004 1.00 1.02 ATOM 341 NZ LYS 21 8.382 -19.153 13.245 1.00 13.21 ATOM 342 HZ1 LYS 21 9.210 -18.685 13.667 1.00 65.23 ATOM 343 HZ2 LYS 21 8.711 -19.932 12.638 1.00 63.34 ATOM 344 HZ3 LYS 21 7.797 -19.551 14.005 1.00 42.33 ATOM 345 C LYS 21 3.962 -15.275 16.820 1.00 1.44 ATOM 346 O LYS 21 4.154 -15.330 18.036 1.00 3.44 ATOM 347 N ILE 22 3.491 -14.185 16.213 1.00 41.33 ATOM 348 HN ILE 22 3.349 -14.211 15.242 1.00 38.69 ATOM 349 CA ILE 22 3.185 -12.946 16.944 1.00 52.23 ATOM 350 HA ILE 22 4.107 -12.588 17.385 1.00 64.23 ATOM 351 CB ILE 22 2.655 -11.847 15.981 1.00 61.30 ATOM 352 HB ILE 22 1.770 -12.232 15.491 1.00 40.33 ATOM 353 CG1 ILE 22 3.710 -11.516 14.910 1.00 52.21 ATOM 354 HG11 ILE 22 3.979 -12.423 14.386 1.00 38.69 ATOM 355 HG12 ILE 22 4.589 -11.113 15.392 1.00 3.34 ATOM 356 CG2 ILE 22 2.252 -10.585 16.751 1.00 62.21 ATOM 357 HG21 ILE 22 3.112 -10.188 17.273 1.00 50.42 ATOM 358 HG22 ILE 22 1.480 -10.829 17.465 1.00 42.30 ATOM 359 HG23 ILE 22 1.878 -9.844 16.058 1.00 21.12 ATOM 360 CD1 ILE 22 3.242 -10.507 13.881 1.00 64.23 ATOM 361 HD11 ILE 22 2.362 -10.882 13.381 1.00 24.44 ATOM 362 HD12 ILE 22 4.024 -10.345 13.155 1.00 61.51 ATOM 363 HD13 ILE 22 3.008 -9.572 14.371 1.00 24.13 ATOM 364 C ILE 22 2.157 -13.175 18.069 1.00 13.53 ATOM 365 O ILE 22 2.320 -12.675 19.183 1.00 70.23 ATOM 366 N HIS 23 1.103 -13.935 17.774 1.00 61.53 ATOM 367 HN HIS 23 1.035 -14.326 16.877 1.00 38.69 ATOM 368 CA HIS 23 0.042 -14.195 18.758 1.00 12.30 ATOM 369 HA HIS 23 -0.176 -13.257 19.251 1.00 75.42 ATOM 370 CB HIS 23 -1.232 -14.682 18.058 1.00 70.45 ATOM 371 HB1 HIS 23 -1.968 -14.947 18.805 1.00 38.69 ATOM 372 HB2 HIS 23 -1.000 -15.554 17.464 1.00 44.05 ATOM 373 CG HIS 23 -1.846 -13.657 17.150 1.00 34.24 ATOM 374 ND1 HIS 23 -2.492 -12.534 17.614 1.00 22.40 ATOM 375 HD1 HIS 23 -2.635 -12.304 18.559 1.00 5.12 ATOM 376 CD2 HIS 23 -1.902 -13.579 15.798 1.00 33.24 ATOM 377 HD2 HIS 23 -1.499 -14.298 15.098 1.00 1.11 ATOM 378 CE1 HIS 23 -2.917 -11.815 16.598 1.00 54.35 ATOM 379 HE1 HIS 23 -3.456 -10.882 16.667 1.00 44.13 ATOM 380 NE2 HIS 23 -2.573 -12.423 15.483 1.00 62.15 ATOM 381 HE2 HIS 23 -2.587 -12.004 14.595 1.00 38.69 ATOM 382 C HIS 23 0.478 -15.212 19.832 1.00 31.33 ATOM 383 O HIS 23 0.121 -15.080 21.001 1.00 64.01 ATOM 384 N SER 24 1.252 -16.221 19.437 1.00 44.44 ATOM 385 HN SER 24 1.527 -16.275 18.499 1.00 38.69 ATOM 386 CA SER 24 1.706 -17.258 20.379 1.00 2.24 ATOM 387 HA SER 24 0.836 -17.620 20.909 1.00 24.25 ATOM 388 CB SER 24 2.349 -18.428 19.628 1.00 42.51 ATOM 389 HB1 SER 24 1.640 -18.828 18.917 1.00 38.69 ATOM 390 HB2 SER 24 2.625 -19.199 20.331 1.00 33.02 ATOM 391 OG SER 24 3.508 -18.012 18.928 1.00 61.42 ATOM 392 HG SER 24 3.295 -17.912 17.995 1.00 51.24 ATOM 393 C SER 24 2.701 -16.690 21.404 1.00 53.21 ATOM 394 O SER 24 2.725 -17.109 22.562 1.00 55.03 ATOM 395 N ARG 25 3.520 -15.729 20.972 1.00 71.13 ATOM 396 HN ARG 25 3.507 -15.490 20.019 1.00 38.69 ATOM 397 CA ARG 25 4.455 -15.030 21.872 1.00 11.10 ATOM 398 HA ARG 25 5.059 -15.780 22.362 1.00 21.25 ATOM 399 CB ARG 25 5.378 -14.108 21.055 1.00 44.44 ATOM 400 HB1 ARG 25 5.951 -13.492 21.735 1.00 38.69 ATOM 401 HB2 ARG 25 4.769 -13.469 20.431 1.00 23.25 ATOM 402 CG ARG 25 6.354 -14.867 20.159 1.00 22.22 ATOM 403 HG1 ARG 25 5.807 -15.613 19.598 1.00 38.69 ATOM 404 HG2 ARG 25 7.091 -15.354 20.780 1.00 22.22 ATOM 405 CD ARG 25 7.074 -13.942 19.179 1.00 4.11 ATOM 406 HD1 ARG 25 6.337 -13.492 18.528 1.00 38.69 ATOM 407 HD2 ARG 25 7.759 -14.530 18.587 1.00 55.21 ATOM 408 NE ARG 25 7.821 -12.878 19.853 1.00 35.12 ATOM 409 HE ARG 25 7.534 -12.621 20.753 1.00 53.35 ATOM 410 CZ ARG 25 8.820 -12.227 19.319 1.00 71.04 ATOM 411 NH1 ARG 25 9.304 -12.573 18.172 1.00 3.41 ATOM 412 HH11 ARG 25 8.922 -13.353 17.685 1.00 2.24 ATOM 413 HH12 ARG 25 10.061 -12.056 17.776 1.00 40.30 ATOM 414 NH2 ARG 25 9.365 -11.253 19.964 1.00 50.13 ATOM 415 HH21 ARG 25 9.024 -11.003 20.869 1.00 23.12 ATOM 416 HH22 ARG 25 10.120 -10.747 19.556 1.00 12.31 ATOM 417 C ARG 25 3.709 -14.223 22.951 1.00 52.02 ATOM 418 O ARG 25 4.293 -13.820 23.958 1.00 40.24 ATOM 419 N LYS 26 2.414 -14.005 22.738 1.00 20.41 ATOM 420 HN LYS 26 2.007 -14.340 21.910 1.00 38.69 ATOM 421 CA LYS 26 1.573 -13.272 23.695 1.00 64.34 ATOM 422 HA LYS 26 2.181 -12.504 24.150 1.00 41.03 ATOM 423 CB LYS 26 0.402 -12.604 22.959 1.00 64.35 ATOM 424 HB1 LYS 26 -0.279 -12.190 23.690 1.00 38.69 ATOM 425 HB2 LYS 26 -0.121 -13.357 22.385 1.00 14.21 ATOM 426 CG LYS 26 0.820 -11.486 22.008 1.00 12.11 ATOM 427 HG1 LYS 26 -0.039 -11.185 21.423 1.00 38.69 ATOM 428 HG2 LYS 26 1.590 -11.857 21.347 1.00 44.43 ATOM 429 CD LYS 26 1.357 -10.269 22.759 1.00 31.01 ATOM 430 HD1 LYS 26 1.693 -9.535 22.039 1.00 38.69 ATOM 431 HD2 LYS 26 2.190 -10.574 23.377 1.00 23.53 ATOM 432 CE LYS 26 0.288 -9.639 23.645 1.00 35.33 ATOM 433 HE1 LYS 26 -0.054 -10.376 24.357 1.00 38.69 ATOM 434 HE2 LYS 26 -0.540 -9.328 23.024 1.00 12.52 ATOM 435 NZ LYS 26 0.804 -8.458 24.383 1.00 43.20 ATOM 436 HZ1 LYS 26 0.047 -8.042 24.964 1.00 53.03 ATOM 437 HZ2 LYS 26 1.148 -7.741 23.715 1.00 5.34 ATOM 438 HZ3 LYS 26 1.587 -8.738 25.005 1.00 64.44 ATOM 439 C LYS 26 1.022 -14.184 24.807 1.00 23.15 ATOM 440 O LYS 26 0.384 -13.705 25.744 1.00 23.02 ATOM 441 N MET 27 1.261 -15.492 24.697 1.00 13.44 ATOM 442 HN MET 27 1.816 -15.812 23.954 1.00 38.69 ATOM 443 CA MET 27 0.724 -16.469 25.662 1.00 23.31 ATOM 444 HA MET 27 0.410 -15.932 26.546 1.00 70.42 ATOM 445 CB MET 27 -0.494 -17.194 25.061 1.00 4.34 ATOM 446 HB1 MET 27 -0.854 -17.921 25.777 1.00 38.69 ATOM 447 HB2 MET 27 -0.184 -17.713 24.165 1.00 4.45 ATOM 448 CG MET 27 -1.653 -16.274 24.698 1.00 5.43 ATOM 449 HG1 MET 27 -1.300 -15.529 24.000 1.00 38.69 ATOM 450 HG2 MET 27 -2.003 -15.786 25.596 1.00 41.50 ATOM 451 SD MET 27 -3.036 -17.163 23.946 1.00 33.31 ATOM 452 CE MET 27 -2.243 -17.865 22.500 1.00 35.11 ATOM 453 HE1 MET 27 -2.969 -18.427 21.932 1.00 23.45 ATOM 454 HE2 MET 27 -1.442 -18.519 22.811 1.00 21.24 ATOM 455 HE3 MET 27 -1.843 -17.071 21.887 1.00 43.23 ATOM 456 C MET 27 1.779 -17.510 26.069 1.00 64.20 ATOM 457 O MET 27 2.837 -17.623 25.449 1.00 14.33 ATOM 458 N ASN 28 1.482 -18.268 27.121 1.00 71.35 ATOM 459 HN ASN 28 0.668 -18.070 27.635 1.00 38.69 ATOM 460 CA ASN 28 2.328 -19.390 27.540 1.00 53.00 ATOM 461 HA ASN 28 3.363 -19.106 27.399 1.00 34.42 ATOM 462 CB ASN 28 2.078 -19.696 29.026 1.00 23.13 ATOM 463 HB1 ASN 28 1.115 -20.177 29.128 1.00 38.69 ATOM 464 HB2 ASN 28 2.065 -18.767 29.577 1.00 2.11 ATOM 465 CG ASN 28 3.135 -20.597 29.644 1.00 1.20 ATOM 466 OD1 ASN 28 3.728 -21.441 28.981 1.00 61.11 ATOM 467 ND2 ASN 28 3.376 -20.426 30.929 1.00 44.15 ATOM 468 HD21 ASN 28 2.867 -19.736 31.407 1.00 33.23 ATOM 469 HD22 ASN 28 4.058 -20.985 31.348 1.00 24.31 ATOM 470 C ASN 28 2.017 -20.618 26.666 1.00 60.13 ATOM 471 O ASN 28 0.857 -20.878 26.353 1.00 62.22 ATOM 472 N LEU 29 3.042 -21.374 26.276 1.00 15.34 ATOM 473 HN LEU 29 3.931 -21.205 26.650 1.00 38.69 ATOM 474 CA LEU 29 2.863 -22.474 25.313 1.00 34.31 ATOM 475 HA LEU 29 1.811 -22.532 25.066 1.00 53.13 ATOM 476 CB LEU 29 3.650 -22.184 24.027 1.00 41.20 ATOM 477 HB1 LEU 29 3.538 -23.031 23.363 1.00 38.69 ATOM 478 HB2 LEU 29 4.696 -22.092 24.286 1.00 74.14 ATOM 479 CG LEU 29 3.231 -20.917 23.261 1.00 14.33 ATOM 480 HG LEU 29 3.371 -20.056 23.901 1.00 52.24 ATOM 481 CD1 LEU 29 4.105 -20.726 22.024 1.00 33.51 ATOM 482 HD11 LEU 29 5.144 -20.685 22.320 1.00 52.12 ATOM 483 HD12 LEU 29 3.837 -19.802 21.534 1.00 44.52 ATOM 484 HD13 LEU 29 3.957 -21.551 21.342 1.00 20.43 ATOM 485 CD2 LEU 29 1.753 -20.981 22.875 1.00 13.54 ATOM 486 HD21 LEU 29 1.150 -21.067 23.767 1.00 51.31 ATOM 487 HD22 LEU 29 1.580 -21.840 22.241 1.00 61.40 ATOM 488 HD23 LEU 29 1.480 -20.082 22.342 1.00 63.22 ATOM 489 C LEU 29 3.304 -23.830 25.883 1.00 52.41 ATOM 490 O LEU 29 3.980 -23.905 26.910 1.00 1.41 ATOM 491 N THR 30 2.901 -24.904 25.203 1.00 43.21 ATOM 492 HN THR 30 2.299 -24.779 24.439 1.00 38.69 ATOM 493 CA THR 30 3.318 -26.269 25.569 1.00 13.30 ATOM 494 HA THR 30 3.307 -26.344 26.649 1.00 22.21 ATOM 495 CB THR 30 2.344 -27.333 24.996 1.00 33.41 ATOM 496 HB THR 30 1.354 -27.132 25.378 1.00 33.11 ATOM 497 OG1 THR 30 2.739 -28.653 25.406 1.00 32.43 ATOM 498 HG1 THR 30 2.404 -29.302 24.768 1.00 11.14 ATOM 499 CG2 THR 30 2.293 -27.274 23.474 1.00 52.13 ATOM 500 HG21 THR 30 1.981 -26.289 23.161 1.00 41.32 ATOM 501 HG22 THR 30 1.589 -28.007 23.107 1.00 42.44 ATOM 502 HG23 THR 30 3.273 -27.485 23.071 1.00 50.24 ATOM 503 C THR 30 4.740 -26.576 25.068 1.00 35.24 ATOM 504 O THR 30 5.385 -25.739 24.434 1.00 43.31 ATOM 505 N ARG 31 5.220 -27.784 25.351 1.00 35.11 ATOM 506 HN ARG 31 4.649 -28.418 25.836 1.00 38.69 ATOM 507 CA ARG 31 6.566 -28.202 24.944 1.00 43.14 ATOM 508 HA ARG 31 7.194 -27.321 24.931 1.00 35.53 ATOM 509 CB ARG 31 7.141 -29.200 25.963 1.00 44.25 ATOM 510 HB1 ARG 31 8.097 -29.555 25.602 1.00 38.69 ATOM 511 HB2 ARG 31 6.467 -30.042 26.047 1.00 51.03 ATOM 512 CG ARG 31 7.346 -28.612 27.357 1.00 31.23 ATOM 513 HG1 ARG 31 7.769 -29.372 27.999 1.00 38.69 ATOM 514 HG2 ARG 31 6.390 -28.299 27.751 1.00 64.30 ATOM 515 CD ARG 31 8.286 -27.409 27.326 1.00 62.24 ATOM 516 HD1 ARG 31 8.477 -27.090 28.341 1.00 38.69 ATOM 517 HD2 ARG 31 7.810 -26.607 26.781 1.00 4.32 ATOM 518 NE ARG 31 9.556 -27.732 26.681 1.00 45.32 ATOM 519 HE ARG 31 9.701 -28.661 26.407 1.00 41.43 ATOM 520 CZ ARG 31 10.507 -26.869 26.447 1.00 51.33 ATOM 521 NH1 ARG 31 10.379 -25.623 26.784 1.00 32.13 ATOM 522 HH11 ARG 31 9.545 -25.308 27.229 1.00 75.21 ATOM 523 HH12 ARG 31 11.124 -24.982 26.603 1.00 60.41 ATOM 524 NH2 ARG 31 11.586 -27.263 25.856 1.00 73.50 ATOM 525 HH21 ARG 31 11.682 -28.218 25.583 1.00 12.22 ATOM 526 HH22 ARG 31 12.323 -26.615 25.682 1.00 72.23 ATOM 527 C ARG 31 6.569 -28.825 23.537 1.00 54.44 ATOM 528 O ARG 31 6.025 -29.911 23.326 1.00 62.31 ATOM 529 N GLY 32 7.193 -28.134 22.581 1.00 64.45 ATOM 530 HN GLY 32 7.606 -27.272 22.808 1.00 38.69 ATOM 531 CA GLY 32 7.266 -28.632 21.207 1.00 41.02 ATOM 532 HA1 GLY 32 7.456 -29.697 21.229 1.00 38.69 ATOM 533 HA2 GLY 32 8.090 -28.144 20.707 1.00 22.40 ATOM 534 C GLY 32 5.992 -28.373 20.409 1.00 53.40 ATOM 535 O GLY 32 5.428 -29.287 19.802 1.00 64.22 ATOM 536 N ILE 33 5.536 -27.124 20.410 1.00 20.32 ATOM 537 HN ILE 33 6.033 -26.440 20.906 1.00 38.69 ATOM 538 CA ILE 33 4.318 -26.740 19.687 1.00 24.14 ATOM 539 HA ILE 33 3.649 -27.592 19.692 1.00 52.20 ATOM 540 CB ILE 33 3.598 -25.564 20.403 1.00 70.10 ATOM 541 HB ILE 33 3.358 -25.886 21.408 1.00 2.42 ATOM 542 CG1 ILE 33 2.293 -25.198 19.675 1.00 72.55 ATOM 543 HG11 ILE 33 1.668 -26.079 19.604 1.00 38.69 ATOM 544 HG12 ILE 33 2.527 -24.850 18.679 1.00 73.45 ATOM 545 CG2 ILE 33 4.520 -24.349 20.516 1.00 4.10 ATOM 546 HG21 ILE 33 5.407 -24.619 21.070 1.00 44.44 ATOM 547 HG22 ILE 33 4.006 -23.550 21.030 1.00 61.21 ATOM 548 HG23 ILE 33 4.802 -24.016 19.527 1.00 51.22 ATOM 549 CD1 ILE 33 1.490 -24.116 20.366 1.00 13.21 ATOM 550 HD11 ILE 33 1.207 -24.450 21.353 1.00 73.44 ATOM 551 HD12 ILE 33 0.602 -23.906 19.788 1.00 62.02 ATOM 552 HD13 ILE 33 2.087 -23.219 20.447 1.00 50.13 ATOM 553 C ILE 33 4.627 -26.364 18.223 1.00 20.32 ATOM 554 O ILE 33 5.553 -25.597 17.946 1.00 34.23 ATOM 555 N ASN 34 3.852 -26.914 17.288 1.00 64.12 ATOM 556 HN ASN 34 3.105 -27.485 17.564 1.00 38.69 ATOM 557 CA ASN 34 4.083 -26.683 15.857 1.00 74.02 ATOM 558 HA ASN 34 4.997 -26.113 15.759 1.00 75.42 ATOM 559 CB ASN 34 4.263 -28.024 15.130 1.00 44.11 ATOM 560 HB1 ASN 34 3.365 -28.614 15.246 1.00 38.69 ATOM 561 HB2 ASN 34 5.095 -28.555 15.569 1.00 24.41 ATOM 562 CG ASN 34 4.539 -27.857 13.648 1.00 3.52 ATOM 563 OD1 ASN 34 5.111 -26.864 13.214 1.00 65.32 ATOM 564 ND2 ASN 34 4.130 -28.827 12.858 1.00 21.12 ATOM 565 HD21 ASN 34 3.674 -29.595 13.264 1.00 34.22 ATOM 566 HD22 ASN 34 4.300 -28.744 11.897 1.00 71.01 ATOM 567 C ASN 34 2.940 -25.873 15.221 1.00 54.32 ATOM 568 O ASN 34 1.959 -26.431 14.724 1.00 22.30 ATOM 569 N LEU 35 3.084 -24.551 15.238 1.00 22.42 ATOM 570 HN LEU 35 3.892 -24.170 15.642 1.00 38.69 ATOM 571 CA LEU 35 2.083 -23.647 14.661 1.00 60.32 ATOM 572 HA LEU 35 1.125 -23.878 15.107 1.00 53.35 ATOM 573 CB LEU 35 2.448 -22.192 14.986 1.00 45.43 ATOM 574 HB1 LEU 35 1.692 -21.549 14.557 1.00 38.69 ATOM 575 HB2 LEU 35 3.394 -21.968 14.511 1.00 52.40 ATOM 576 CG LEU 35 2.569 -21.859 16.482 1.00 42.30 ATOM 577 HG LEU 35 3.277 -22.538 16.939 1.00 73.22 ATOM 578 CD1 LEU 35 3.094 -20.437 16.676 1.00 33.55 ATOM 579 HD11 LEU 35 4.053 -20.338 16.191 1.00 24.15 ATOM 580 HD12 LEU 35 3.204 -20.234 17.731 1.00 40.43 ATOM 581 HD13 LEU 35 2.397 -19.732 16.245 1.00 2.22 ATOM 582 CD2 LEU 35 1.224 -22.039 17.185 1.00 3.45 ATOM 583 HD21 LEU 35 0.491 -21.381 16.738 1.00 51.25 ATOM 584 HD22 LEU 35 1.331 -21.800 18.234 1.00 24.21 ATOM 585 HD23 LEU 35 0.898 -23.064 17.083 1.00 71.13 ATOM 586 C LEU 35 1.981 -23.829 13.138 1.00 34.35 ATOM 587 O LEU 35 0.931 -23.596 12.539 1.00 22.44 ATOM 588 N ARG 36 3.086 -24.247 12.523 1.00 33.31 ATOM 589 HN ARG 36 3.896 -24.403 13.060 1.00 38.69 ATOM 590 CA ARG 36 3.140 -24.469 11.075 1.00 61.13 ATOM 591 HA ARG 36 2.951 -23.523 10.588 1.00 64.34 ATOM 592 CB ARG 36 4.543 -24.962 10.692 1.00 41.52 ATOM 593 HB1 ARG 36 4.634 -26.003 10.970 1.00 38.69 ATOM 594 HB2 ARG 36 5.270 -24.390 11.252 1.00 51.04 ATOM 595 CG ARG 36 4.882 -24.832 9.210 1.00 71.11 ATOM 596 HG1 ARG 36 4.723 -23.808 8.902 1.00 38.69 ATOM 597 HG2 ARG 36 4.235 -25.485 8.640 1.00 62.15 ATOM 598 CD ARG 36 6.338 -25.212 8.941 1.00 24.42 ATOM 599 HD1 ARG 36 6.455 -26.275 9.104 1.00 38.69 ATOM 600 HD2 ARG 36 6.970 -24.673 9.632 1.00 21.23 ATOM 601 NE ARG 36 6.752 -24.895 7.577 1.00 70.15 ATOM 602 HE ARG 36 6.060 -24.884 6.885 1.00 3.43 ATOM 603 CZ ARG 36 7.979 -24.611 7.230 1.00 3.23 ATOM 604 NH1 ARG 36 8.938 -24.641 8.097 1.00 64.31 ATOM 605 HH11 ARG 36 8.752 -24.885 9.043 1.00 75.00 ATOM 606 HH12 ARG 36 9.867 -24.416 7.815 1.00 61.41 ATOM 607 NH2 ARG 36 8.249 -24.299 6.007 1.00 1.15 ATOM 608 HH21 ARG 36 7.519 -24.271 5.326 1.00 1.33 ATOM 609 HH22 ARG 36 9.187 -24.079 5.745 1.00 13.42 ATOM 610 C ARG 36 2.067 -25.479 10.631 1.00 25.13 ATOM 611 O ARG 36 1.357 -25.261 9.648 1.00 3.24 ATOM 612 N LYS 37 1.946 -26.571 11.387 1.00 15.21 ATOM 613 HN LYS 37 2.563 -26.694 12.137 1.00 38.69 ATOM 614 CA LYS 37 0.924 -27.596 11.135 1.00 21.34 ATOM 615 HA LYS 37 1.080 -27.976 10.134 1.00 34.35 ATOM 616 CB LYS 37 1.097 -28.750 12.141 1.00 14.21 ATOM 617 HB1 LYS 37 0.997 -28.352 13.142 1.00 38.69 ATOM 618 HB2 LYS 37 2.093 -29.152 12.033 1.00 3.13 ATOM 619 CG LYS 37 0.106 -29.906 11.996 1.00 24.15 ATOM 620 HG1 LYS 37 0.609 -30.828 12.250 1.00 38.69 ATOM 621 HG2 LYS 37 -0.230 -29.953 10.969 1.00 20.20 ATOM 622 CD LYS 37 -1.114 -29.742 12.904 1.00 10.41 ATOM 623 HD1 LYS 37 -1.735 -28.945 12.521 1.00 38.69 ATOM 624 HD2 LYS 37 -0.780 -29.492 13.901 1.00 51.41 ATOM 625 CE LYS 37 -1.932 -31.024 12.966 1.00 70.40 ATOM 626 HE1 LYS 37 -1.287 -31.827 13.289 1.00 38.69 ATOM 627 HE2 LYS 37 -2.309 -31.244 11.978 1.00 42.42 ATOM 628 NZ LYS 37 -3.077 -30.915 13.905 1.00 22.13 ATOM 629 HZ1 LYS 37 -3.741 -30.189 13.583 1.00 13.01 ATOM 630 HZ2 LYS 37 -2.742 -30.660 14.857 1.00 23.34 ATOM 631 HZ3 LYS 37 -3.581 -31.826 13.964 1.00 12.11 ATOM 632 C LYS 37 -0.491 -27.001 11.223 1.00 5.12 ATOM 633 O LYS 37 -1.386 -27.375 10.464 1.00 61.24 ATOM 634 N ILE 38 -0.682 -26.072 12.157 1.00 33.22 ATOM 635 HN ILE 38 0.059 -25.843 12.757 1.00 38.69 ATOM 636 CA ILE 38 -1.964 -25.377 12.312 1.00 35.13 ATOM 637 HA ILE 38 -2.736 -26.124 12.435 1.00 72.42 ATOM 638 CB ILE 38 -1.957 -24.467 13.568 1.00 73.22 ATOM 639 HB ILE 38 -1.226 -23.685 13.409 1.00 63.15 ATOM 640 CG1 ILE 38 -1.557 -25.274 14.819 1.00 41.35 ATOM 641 HG11 ILE 38 -1.556 -24.618 15.678 1.00 38.69 ATOM 642 HG12 ILE 38 -0.561 -25.671 14.679 1.00 21.04 ATOM 643 CG2 ILE 38 -3.318 -23.799 13.764 1.00 12.30 ATOM 644 HG21 ILE 38 -3.555 -23.200 12.896 1.00 5.34 ATOM 645 HG22 ILE 38 -3.285 -23.164 14.638 1.00 13.11 ATOM 646 HG23 ILE 38 -4.078 -24.556 13.898 1.00 4.43 ATOM 647 CD1 ILE 38 -2.476 -26.441 15.125 1.00 12.21 ATOM 648 HD11 ILE 38 -2.114 -26.965 15.999 1.00 34.23 ATOM 649 HD12 ILE 38 -2.496 -27.118 14.283 1.00 15.03 ATOM 650 HD13 ILE 38 -3.475 -26.074 15.316 1.00 32.00 ATOM 651 C ILE 38 -2.285 -24.530 11.067 1.00 11.40 ATOM 652 O ILE 38 -3.399 -24.567 10.544 1.00 51.11 ATOM 653 N ALA 39 -1.289 -23.782 10.589 1.00 33.33 ATOM 654 HN ALA 39 -0.423 -23.798 11.053 1.00 38.69 ATOM 655 CA ALA 39 -1.444 -22.934 9.397 1.00 14.43 ATOM 656 HA ALA 39 -2.260 -22.251 9.583 1.00 75.22 ATOM 657 CB ALA 39 -0.181 -22.108 9.176 1.00 15.15 ATOM 658 HB1 ALA 39 -0.313 -21.465 8.318 1.00 53.42 ATOM 659 HB2 ALA 39 0.658 -22.766 9.007 1.00 45.41 ATOM 660 HB3 ALA 39 0.009 -21.503 10.051 1.00 71.42 ATOM 661 C ALA 39 -1.769 -23.757 8.137 1.00 63.10 ATOM 662 O ALA 39 -2.511 -23.304 7.260 1.00 44.22 ATOM 663 N GLU 40 -1.207 -24.963 8.049 1.00 4.34 ATOM 664 HN GLU 40 -0.596 -25.255 8.760 1.00 38.69 ATOM 665 CA GLU 40 -1.463 -25.861 6.914 1.00 55.22 ATOM 666 HA GLU 40 -1.201 -25.329 6.011 1.00 31.31 ATOM 667 CB GLU 40 -0.586 -27.118 7.018 1.00 21.44 ATOM 668 HB1 GLU 40 -0.833 -27.784 6.203 1.00 38.69 ATOM 669 HB2 GLU 40 -0.801 -27.615 7.954 1.00 54.21 ATOM 670 CG GLU 40 0.910 -26.831 6.965 1.00 44.23 ATOM 671 HG1 GLU 40 1.173 -26.204 7.806 1.00 38.69 ATOM 672 HG2 GLU 40 1.130 -26.303 6.047 1.00 53.54 ATOM 673 CD GLU 40 1.756 -28.094 7.016 1.00 3.34 ATOM 674 OE1 GLU 40 2.078 -28.566 8.128 1.00 65.33 ATOM 675 OE2 GLU 40 2.122 -28.615 5.940 1.00 33.01 ATOM 676 C GLU 40 -2.944 -26.268 6.829 1.00 53.42 ATOM 677 O GLU 40 -3.476 -26.488 5.739 1.00 32.24 ATOM 678 N LEU 41 -3.607 -26.353 7.984 1.00 73.21 ATOM 679 HN LEU 41 -3.131 -26.158 8.819 1.00 38.69 ATOM 680 CA LEU 41 -5.027 -26.733 8.048 1.00 13.24 ATOM 681 HA LEU 41 -5.211 -27.472 7.282 1.00 53.14 ATOM 682 CB LEU 41 -5.338 -27.352 9.421 1.00 24.45 ATOM 683 HB1 LEU 41 -6.380 -27.641 9.435 1.00 38.69 ATOM 684 HB2 LEU 41 -5.185 -26.591 10.176 1.00 34.32 ATOM 685 CG LEU 41 -4.493 -28.582 9.799 1.00 10.23 ATOM 686 HG LEU 41 -3.449 -28.298 9.811 1.00 23.41 ATOM 687 CD1 LEU 41 -4.853 -29.076 11.198 1.00 42.54 ATOM 688 HD11 LEU 41 -4.673 -28.289 11.916 1.00 53.35 ATOM 689 HD12 LEU 41 -4.243 -29.933 11.447 1.00 3.33 ATOM 690 HD13 LEU 41 -5.896 -29.358 11.227 1.00 44.31 ATOM 691 CD2 LEU 41 -4.662 -29.698 8.768 1.00 21.24 ATOM 692 HD21 LEU 41 -4.068 -30.552 9.062 1.00 53.41 ATOM 693 HD22 LEU 41 -4.331 -29.349 7.800 1.00 54.31 ATOM 694 HD23 LEU 41 -5.702 -29.986 8.710 1.00 50.35 ATOM 695 C LEU 41 -5.953 -25.530 7.795 1.00 62.43 ATOM 696 O LEU 41 -7.173 -25.635 7.931 1.00 54.52 ATOM 697 N MET 42 -5.367 -24.397 7.411 1.00 11.24 ATOM 698 HN MET 42 -4.392 -24.386 7.301 1.00 38.69 ATOM 699 CA MET 42 -6.122 -23.164 7.153 1.00 40.33 ATOM 700 HA MET 42 -7.154 -23.334 7.429 1.00 42.22 ATOM 701 CB MET 42 -5.551 -22.030 8.023 1.00 32.51 ATOM 702 HB1 MET 42 -6.113 -21.125 7.832 1.00 38.69 ATOM 703 HB2 MET 42 -4.519 -21.864 7.744 1.00 24.11 ATOM 704 CG MET 42 -5.602 -22.319 9.520 1.00 21.30 ATOM 705 HG1 MET 42 -4.909 -21.660 10.028 1.00 38.69 ATOM 706 HG2 MET 42 -5.304 -23.344 9.687 1.00 61.53 ATOM 707 SD MET 42 -7.245 -22.078 10.225 1.00 75.03 ATOM 708 CE MET 42 -7.357 -20.293 10.195 1.00 44.13 ATOM 709 HE1 MET 42 -6.552 -19.870 10.782 1.00 73.41 ATOM 710 HE2 MET 42 -8.304 -19.985 10.609 1.00 4.13 ATOM 711 HE3 MET 42 -7.280 -19.945 9.178 1.00 0.21 ATOM 712 C MET 42 -6.058 -22.770 5.661 1.00 50.04 ATOM 713 O MET 42 -5.212 -21.971 5.266 1.00 72.32 ATOM 714 N PRO 43 -6.931 -23.339 4.800 1.00 75.42 ATOM 715 CA PRO 43 -6.931 -23.038 3.353 1.00 62.24 ATOM 716 HA PRO 43 -5.980 -23.307 2.913 1.00 71.02 ATOM 717 CB PRO 43 -8.024 -23.960 2.782 1.00 75.20 ATOM 718 HB1 PRO 43 -7.681 -24.397 1.854 1.00 38.69 ATOM 719 HB2 PRO 43 -8.926 -23.393 2.602 1.00 43.24 ATOM 720 CG PRO 43 -8.238 -25.005 3.827 1.00 42.43 ATOM 721 HG1 PRO 43 -7.558 -25.831 3.665 1.00 38.69 ATOM 722 HG2 PRO 43 -9.261 -25.352 3.794 1.00 25.03 ATOM 723 CD PRO 43 -7.950 -24.342 5.148 1.00 14.24 ATOM 724 HD1 PRO 43 -7.558 -25.060 5.854 1.00 38.69 ATOM 725 HD2 PRO 43 -8.838 -23.872 5.542 1.00 34.24 ATOM 726 C PRO 43 -7.222 -21.555 3.022 1.00 33.14 ATOM 727 O PRO 43 -6.296 -20.778 2.768 1.00 31.51 ATOM 728 N GLY 44 -8.499 -21.152 3.034 1.00 12.12 ATOM 729 HN GLY 44 -9.206 -21.789 3.275 1.00 38.69 ATOM 730 CA GLY 44 -8.856 -19.773 2.690 1.00 34.11 ATOM 731 HA1 GLY 44 -9.822 -19.776 2.207 1.00 38.69 ATOM 732 HA2 GLY 44 -8.124 -19.381 1.997 1.00 15.02 ATOM 733 C GLY 44 -8.919 -18.858 3.908 1.00 50.24 ATOM 734 O GLY 44 -9.960 -18.268 4.206 1.00 51.54 ATOM 735 N ALA 45 -7.796 -18.723 4.607 1.00 34.20 ATOM 736 HN ALA 45 -6.974 -19.132 4.266 1.00 38.69 ATOM 737 CA ALA 45 -7.757 -17.976 5.867 1.00 53.33 ATOM 738 HA ALA 45 -8.729 -17.523 6.016 1.00 1.33 ATOM 739 CB ALA 45 -7.517 -18.938 7.020 1.00 64.14 ATOM 740 HB1 ALA 45 -8.284 -19.699 7.022 1.00 24.13 ATOM 741 HB2 ALA 45 -7.544 -18.398 7.955 1.00 54.43 ATOM 742 HB3 ALA 45 -6.549 -19.406 6.905 1.00 72.24 ATOM 743 C ALA 45 -6.691 -16.867 5.871 1.00 65.04 ATOM 744 O ALA 45 -5.491 -17.138 5.755 1.00 14.43 ATOM 745 N SER 46 -7.141 -15.620 6.019 1.00 25.41 ATOM 746 HN SER 46 -8.109 -15.471 6.066 1.00 38.69 ATOM 747 CA SER 46 -6.242 -14.459 6.118 1.00 74.52 ATOM 748 HA SER 46 -5.314 -14.711 5.625 1.00 13.54 ATOM 749 CB SER 46 -6.865 -13.240 5.419 1.00 22.42 ATOM 750 HB1 SER 46 -6.164 -12.416 5.446 1.00 38.69 ATOM 751 HB2 SER 46 -7.770 -12.955 5.935 1.00 24.33 ATOM 752 OG SER 46 -7.187 -13.520 4.061 1.00 24.32 ATOM 753 HG SER 46 -7.908 -14.166 4.032 1.00 70.13 ATOM 754 C SER 46 -5.944 -14.122 7.592 1.00 63.42 ATOM 755 O SER 46 -6.331 -14.860 8.500 1.00 3.50 ATOM 756 N GLY 47 -5.266 -12.997 7.827 1.00 41.13 ATOM 757 HN GLY 47 -5.036 -12.411 7.076 1.00 38.69 ATOM 758 CA GLY 47 -4.854 -12.624 9.183 1.00 24.14 ATOM 759 HA1 GLY 47 -4.334 -11.678 9.131 1.00 38.69 ATOM 760 HA2 GLY 47 -4.164 -13.369 9.549 1.00 4.42 ATOM 761 C GLY 47 -6.005 -12.495 10.186 1.00 4.31 ATOM 762 O GLY 47 -5.844 -12.820 11.364 1.00 34.24 ATOM 763 N ALA 48 -7.169 -12.034 9.726 1.00 15.31 ATOM 764 HN ALA 48 -7.260 -11.850 8.768 1.00 38.69 ATOM 765 CA ALA 48 -8.319 -11.801 10.615 1.00 22.34 ATOM 766 HA ALA 48 -7.995 -11.139 11.408 1.00 2.15 ATOM 767 CB ALA 48 -9.435 -11.098 9.848 1.00 71.04 ATOM 768 HB1 ALA 48 -10.254 -10.877 10.520 1.00 4.11 ATOM 769 HB2 ALA 48 -9.786 -11.740 9.053 1.00 3.13 ATOM 770 HB3 ALA 48 -9.058 -10.178 9.426 1.00 12.24 ATOM 771 C ALA 48 -8.843 -13.105 11.243 1.00 40.42 ATOM 772 O ALA 48 -9.063 -13.183 12.456 1.00 40.14 ATOM 773 N GLU 49 -9.031 -14.132 10.418 1.00 13.24 ATOM 774 HN GLU 49 -8.822 -14.018 9.468 1.00 38.69 ATOM 775 CA GLU 49 -9.534 -15.427 10.895 1.00 15.55 ATOM 776 HA GLU 49 -10.270 -15.214 11.660 1.00 31.40 ATOM 777 CB GLU 49 -10.234 -16.220 9.767 1.00 60.54 ATOM 778 HB1 GLU 49 -11.230 -15.820 9.634 1.00 38.69 ATOM 779 HB2 GLU 49 -10.321 -17.253 10.074 1.00 2.15 ATOM 780 CG GLU 49 -9.528 -16.190 8.412 1.00 54.30 ATOM 781 HG1 GLU 49 -9.785 -17.091 7.869 1.00 38.69 ATOM 782 HG2 GLU 49 -8.458 -16.172 8.578 1.00 50.22 ATOM 783 CD GLU 49 -9.909 -14.981 7.561 1.00 0.51 ATOM 784 OE1 GLU 49 -10.909 -15.061 6.817 1.00 20.03 ATOM 785 OE2 GLU 49 -9.206 -13.954 7.624 1.00 41.24 ATOM 786 C GLU 49 -8.419 -16.262 11.546 1.00 15.45 ATOM 787 O GLU 49 -8.679 -17.057 12.451 1.00 63.20 ATOM 788 N VAL 50 -7.175 -16.077 11.096 1.00 22.42 ATOM 789 HN VAL 50 -7.031 -15.519 10.299 1.00 38.69 ATOM 790 CA VAL 50 -6.019 -16.696 11.764 1.00 44.12 ATOM 791 HA VAL 50 -6.206 -17.762 11.821 1.00 25.04 ATOM 792 CB VAL 50 -4.704 -16.471 10.970 1.00 41.22 ATOM 793 HB VAL 50 -4.593 -15.410 10.796 1.00 23.23 ATOM 794 CG1 VAL 50 -3.488 -16.951 11.765 1.00 31.00 ATOM 795 HG11 VAL 50 -3.584 -18.007 11.975 1.00 31.41 ATOM 796 HG12 VAL 50 -3.425 -16.405 12.697 1.00 24.33 ATOM 797 HG13 VAL 50 -2.590 -16.779 11.190 1.00 21.15 ATOM 798 CG2 VAL 50 -4.768 -17.172 9.612 1.00 43.03 ATOM 799 HG21 VAL 50 -5.641 -16.834 9.072 1.00 75.51 ATOM 800 HG22 VAL 50 -4.827 -18.242 9.757 1.00 4.42 ATOM 801 HG23 VAL 50 -3.881 -16.936 9.040 1.00 33.31 ATOM 802 C VAL 50 -5.870 -16.145 13.194 1.00 45.41 ATOM 803 O VAL 50 -5.597 -16.891 14.139 1.00 22.24 ATOM 804 N LYS 51 -6.057 -14.832 13.343 1.00 64.42 ATOM 805 HN LYS 51 -6.151 -14.274 12.542 1.00 38.69 ATOM 806 CA LYS 51 -6.117 -14.199 14.666 1.00 71.41 ATOM 807 HA LYS 51 -5.198 -14.430 15.187 1.00 41.11 ATOM 808 CB LYS 51 -6.242 -12.676 14.518 1.00 33.02 ATOM 809 HB1 LYS 51 -7.085 -12.459 13.877 1.00 38.69 ATOM 810 HB2 LYS 51 -5.342 -12.299 14.050 1.00 34.34 ATOM 811 CG LYS 51 -6.440 -11.934 15.841 1.00 3.02 ATOM 812 HG1 LYS 51 -5.616 -12.170 16.501 1.00 38.69 ATOM 813 HG2 LYS 51 -7.365 -12.266 16.291 1.00 60.33 ATOM 814 CD LYS 51 -6.501 -10.419 15.648 1.00 61.44 ATOM 815 HD1 LYS 51 -5.557 -10.080 15.246 1.00 38.69 ATOM 816 HD2 LYS 51 -6.669 -9.951 16.607 1.00 2.00 ATOM 817 CE LYS 51 -7.622 -10.005 14.699 1.00 61.24 ATOM 818 HE1 LYS 51 -8.568 -10.320 15.117 1.00 38.69 ATOM 819 HE2 LYS 51 -7.473 -10.489 13.746 1.00 12.20 ATOM 820 NZ LYS 51 -7.654 -8.536 14.493 1.00 53.12 ATOM 821 HZ1 LYS 51 -7.934 -8.058 15.373 1.00 75.34 ATOM 822 HZ2 LYS 51 -8.333 -8.291 13.746 1.00 70.42 ATOM 823 HZ3 LYS 51 -6.715 -8.194 14.210 1.00 24.04 ATOM 824 C LYS 51 -7.303 -14.752 15.473 1.00 74.32 ATOM 825 O LYS 51 -7.231 -14.900 16.698 1.00 41.01 ATOM 826 N GLY 52 -8.397 -15.049 14.771 1.00 53.52 ATOM 827 HN GLY 52 -8.430 -14.814 13.822 1.00 38.69 ATOM 828 CA GLY 52 -9.542 -15.703 15.393 1.00 22.20 ATOM 829 HA1 GLY 52 -10.296 -15.878 14.640 1.00 38.69 ATOM 830 HA2 GLY 52 -9.951 -15.052 16.153 1.00 15.40 ATOM 831 C GLY 52 -9.162 -17.034 16.031 1.00 70.23 ATOM 832 O GLY 52 -9.423 -17.260 17.210 1.00 21.43 ATOM 833 N VAL 53 -8.524 -17.907 15.250 1.00 51.42 ATOM 834 HN VAL 53 -8.398 -17.687 14.300 1.00 38.69 ATOM 835 CA VAL 53 -8.007 -19.187 15.757 1.00 62.43 ATOM 836 HA VAL 53 -8.855 -19.788 16.064 1.00 63.34 ATOM 837 CB VAL 53 -7.248 -19.953 14.641 1.00 31.12 ATOM 838 HB VAL 53 -6.514 -19.285 14.212 1.00 21.55 ATOM 839 CG1 VAL 53 -6.513 -21.176 15.191 1.00 64.14 ATOM 840 HG11 VAL 53 -5.828 -20.868 15.968 1.00 10.53 ATOM 841 HG12 VAL 53 -5.958 -21.653 14.396 1.00 53.34 ATOM 842 HG13 VAL 53 -7.227 -21.875 15.598 1.00 31.43 ATOM 843 CG2 VAL 53 -8.217 -20.364 13.534 1.00 43.15 ATOM 844 HG21 VAL 53 -8.992 -20.995 13.947 1.00 74.22 ATOM 845 HG22 VAL 53 -7.681 -20.910 12.769 1.00 22.32 ATOM 846 HG23 VAL 53 -8.664 -19.483 13.099 1.00 55.25 ATOM 847 C VAL 53 -7.081 -18.979 16.968 1.00 72.10 ATOM 848 O VAL 53 -7.165 -19.705 17.962 1.00 55.41 ATOM 849 N CYS 54 -6.205 -17.976 16.881 1.00 12.14 ATOM 850 HN CYS 54 -6.152 -17.465 16.044 1.00 38.69 ATOM 851 CA CYS 54 -5.312 -17.622 17.995 1.00 15.53 ATOM 852 HA CYS 54 -4.677 -18.475 18.191 1.00 63.04 ATOM 853 CB CYS 54 -4.434 -16.419 17.624 1.00 33.01 ATOM 854 HB1 CYS 54 -3.805 -16.167 18.468 1.00 38.69 ATOM 855 HB2 CYS 54 -5.068 -15.576 17.395 1.00 73.12 ATOM 856 SG CYS 54 -3.352 -16.688 16.198 1.00 33.21 ATOM 857 HG CYS 54 -4.056 -17.307 15.260 1.00 52.01 ATOM 858 C CYS 54 -6.110 -17.294 19.268 1.00 74.22 ATOM 859 O CYS 54 -5.730 -17.681 20.377 1.00 63.24 ATOM 860 N THR 55 -7.220 -16.578 19.099 1.00 12.44 ATOM 861 HN THR 55 -7.474 -16.306 18.191 1.00 38.69 ATOM 862 CA THR 55 -8.072 -16.183 20.229 1.00 23.24 ATOM 863 HA THR 55 -7.425 -15.827 21.021 1.00 34.53 ATOM 864 CB THR 55 -9.029 -15.031 19.837 1.00 44.15 ATOM 865 HB THR 55 -9.685 -15.379 19.050 1.00 35.41 ATOM 866 OG1 THR 55 -8.275 -13.906 19.350 1.00 44.25 ATOM 867 HG1 THR 55 -8.083 -14.035 18.410 1.00 13.22 ATOM 868 CG2 THR 55 -9.883 -14.598 21.027 1.00 33.41 ATOM 869 HG21 THR 55 -10.486 -15.430 21.363 1.00 32.44 ATOM 870 HG22 THR 55 -10.529 -13.784 20.731 1.00 62.10 ATOM 871 HG23 THR 55 -9.241 -14.272 21.833 1.00 13.54 ATOM 872 C THR 55 -8.894 -17.367 20.761 1.00 21.03 ATOM 873 O THR 55 -8.969 -17.591 21.970 1.00 65.21 ATOM 874 N GLU 56 -9.506 -18.126 19.852 1.00 3.50 ATOM 875 HN GLU 56 -9.429 -17.889 18.906 1.00 38.69 ATOM 876 CA GLU 56 -10.294 -19.307 20.225 1.00 51.33 ATOM 877 HA GLU 56 -11.107 -18.975 20.858 1.00 70.00 ATOM 878 CB GLU 56 -10.879 -19.982 18.976 1.00 15.51 ATOM 879 HB1 GLU 56 -11.433 -20.859 19.282 1.00 38.69 ATOM 880 HB2 GLU 56 -10.064 -20.292 18.337 1.00 61.23 ATOM 881 CG GLU 56 -11.812 -19.090 18.156 1.00 33.42 ATOM 882 HG1 GLU 56 -12.161 -19.650 17.298 1.00 38.69 ATOM 883 HG2 GLU 56 -11.254 -18.231 17.814 1.00 14.55 ATOM 884 CD GLU 56 -13.021 -18.603 18.943 1.00 65.22 ATOM 885 OE1 GLU 56 -13.925 -19.418 19.219 1.00 2.44 ATOM 886 OE2 GLU 56 -13.079 -17.398 19.274 1.00 40.11 ATOM 887 C GLU 56 -9.441 -20.312 21.014 1.00 24.25 ATOM 888 O GLU 56 -9.911 -20.915 21.980 1.00 45.10 ATOM 889 N ALA 57 -8.183 -20.479 20.599 1.00 53.44 ATOM 890 HN ALA 57 -7.894 -20.045 19.768 1.00 38.69 ATOM 891 CA ALA 57 -7.225 -21.308 21.342 1.00 24.33 ATOM 892 HA ALA 57 -7.579 -22.330 21.314 1.00 3.50 ATOM 893 CB ALA 57 -5.856 -21.257 20.675 1.00 32.25 ATOM 894 HB1 ALA 57 -5.939 -21.593 19.653 1.00 63.43 ATOM 895 HB2 ALA 57 -5.168 -21.897 21.210 1.00 12.41 ATOM 896 HB3 ALA 57 -5.486 -20.241 20.690 1.00 34.45 ATOM 897 C ALA 57 -7.125 -20.852 22.805 1.00 31.41 ATOM 898 O ALA 57 -7.167 -21.663 23.730 1.00 54.21 ATOM 899 N GLY 58 -7.006 -19.539 23.003 1.00 22.14 ATOM 900 HN GLY 58 -6.916 -18.945 22.229 1.00 38.69 ATOM 901 CA GLY 58 -7.005 -18.980 24.350 1.00 73.43 ATOM 902 HA1 GLY 58 -6.859 -17.912 24.284 1.00 38.69 ATOM 903 HA2 GLY 58 -6.184 -19.410 24.907 1.00 15.13 ATOM 904 C GLY 58 -8.310 -19.256 25.093 1.00 65.34 ATOM 905 O GLY 58 -8.301 -19.558 26.286 1.00 14.20 ATOM 906 N MET 59 -9.434 -19.165 24.378 1.00 40.35 ATOM 907 HN MET 59 -9.375 -18.884 23.440 1.00 38.69 ATOM 908 CA MET 59 -10.753 -19.481 24.945 1.00 52.34 ATOM 909 HA MET 59 -10.940 -18.793 25.755 1.00 63.24 ATOM 910 CB MET 59 -11.848 -19.312 23.877 1.00 54.12 ATOM 911 HB1 MET 59 -12.795 -19.617 24.300 1.00 38.69 ATOM 912 HB2 MET 59 -11.618 -19.958 23.041 1.00 51.40 ATOM 913 CG MET 59 -12.005 -17.888 23.342 1.00 35.33 ATOM 914 HG1 MET 59 -12.317 -17.941 22.308 1.00 38.69 ATOM 915 HG2 MET 59 -11.047 -17.390 23.397 1.00 14.33 ATOM 916 SD MET 59 -13.218 -16.904 24.259 1.00 13.35 ATOM 917 CE MET 59 -12.443 -16.735 25.866 1.00 50.53 ATOM 918 HE1 MET 59 -12.315 -17.710 26.312 1.00 24.54 ATOM 919 HE2 MET 59 -13.068 -16.128 26.504 1.00 70.35 ATOM 920 HE3 MET 59 -11.478 -16.262 25.752 1.00 50.23 ATOM 921 C MET 59 -10.788 -20.916 25.495 1.00 21.43 ATOM 922 O MET 59 -11.314 -21.166 26.582 1.00 52.12 ATOM 923 N TYR 60 -10.212 -21.853 24.741 1.00 10.33 ATOM 924 HN TYR 60 -9.797 -21.592 23.889 1.00 38.69 ATOM 925 CA TYR 60 -10.179 -23.263 25.150 1.00 61.04 ATOM 926 HA TYR 60 -11.184 -23.538 25.441 1.00 51.43 ATOM 927 CB TYR 60 -9.750 -24.156 23.981 1.00 52.34 ATOM 928 HB1 TYR 60 -9.817 -25.192 24.284 1.00 38.69 ATOM 929 HB2 TYR 60 -8.725 -23.929 23.717 1.00 64.34 ATOM 930 CG TYR 60 -10.609 -23.974 22.745 1.00 41.22 ATOM 931 CD1 TYR 60 -10.054 -24.017 21.472 1.00 71.14 ATOM 932 HD1 TYR 60 -8.993 -24.194 21.365 1.00 45.41 ATOM 933 CD2 TYR 60 -11.977 -23.743 22.855 1.00 22.44 ATOM 934 HD2 TYR 60 -12.428 -23.707 23.836 1.00 53.42 ATOM 935 CE1 TYR 60 -10.835 -23.833 20.350 1.00 21.22 ATOM 936 HE1 TYR 60 -10.385 -23.871 19.369 1.00 3.24 ATOM 937 CE2 TYR 60 -12.763 -23.562 21.735 1.00 22.32 ATOM 938 HE2 TYR 60 -13.823 -23.384 21.841 1.00 44.12 ATOM 939 CZ TYR 60 -12.188 -23.607 20.486 1.00 32.54 ATOM 940 OH TYR 60 -12.967 -23.419 19.366 1.00 3.42 ATOM 941 HH TYR 60 -13.474 -22.603 19.463 1.00 12.20 ATOM 942 C TYR 60 -9.254 -23.471 26.352 1.00 22.31 ATOM 943 O TYR 60 -9.585 -24.207 27.287 1.00 65.44 ATOM 944 N ALA 61 -8.101 -22.816 26.331 1.00 41.44 ATOM 945 HN ALA 61 -7.840 -22.332 25.516 1.00 38.69 ATOM 946 CA ALA 61 -7.194 -22.829 27.478 1.00 11.15 ATOM 947 HA ALA 61 -6.901 -23.856 27.656 1.00 60.45 ATOM 948 CB ALA 61 -5.938 -22.023 27.165 1.00 73.40 ATOM 949 HB1 ALA 61 -5.249 -22.089 27.994 1.00 12.42 ATOM 950 HB2 ALA 61 -6.204 -20.989 27.001 1.00 51.53 ATOM 951 HB3 ALA 61 -5.470 -22.418 26.276 1.00 13.04 ATOM 952 C ALA 61 -7.886 -22.286 28.741 1.00 52.33 ATOM 953 O ALA 61 -7.736 -22.837 29.830 1.00 35.14 ATOM 954 N LEU 62 -8.662 -21.213 28.584 1.00 10.03 ATOM 955 HN LEU 62 -8.735 -20.807 27.693 1.00 38.69 ATOM 956 CA LEU 62 -9.404 -20.617 29.704 1.00 55.01 ATOM 957 HA LEU 62 -8.692 -20.410 30.492 1.00 3.21 ATOM 958 CB LEU 62 -10.055 -19.292 29.271 1.00 61.13 ATOM 959 HB1 LEU 62 -10.678 -18.939 30.081 1.00 38.69 ATOM 960 HB2 LEU 62 -10.688 -19.493 28.417 1.00 70.34 ATOM 961 CG LEU 62 -9.077 -18.167 28.892 1.00 10.41 ATOM 962 HG LEU 62 -8.466 -18.497 28.064 1.00 34.00 ATOM 963 CD1 LEU 62 -9.833 -16.921 28.444 1.00 63.40 ATOM 964 HD11 LEU 62 -10.439 -16.550 29.259 1.00 12.13 ATOM 965 HD12 LEU 62 -10.470 -17.168 27.608 1.00 24.30 ATOM 966 HD13 LEU 62 -9.129 -16.159 28.144 1.00 4.50 ATOM 967 CD2 LEU 62 -8.147 -17.843 30.058 1.00 23.13 ATOM 968 HD21 LEU 62 -8.733 -17.558 30.921 1.00 71.20 ATOM 969 HD22 LEU 62 -7.492 -17.029 29.783 1.00 3.30 ATOM 970 HD23 LEU 62 -7.554 -18.714 30.299 1.00 2.23 ATOM 971 C LEU 62 -10.475 -21.574 30.258 1.00 44.52 ATOM 972 O LEU 62 -10.532 -21.821 31.465 1.00 24.34 ATOM 973 N ARG 63 -11.320 -22.114 29.379 1.00 22.20 ATOM 974 HN ARG 63 -11.226 -21.891 28.425 1.00 38.69 ATOM 975 CA ARG 63 -12.393 -23.026 29.804 1.00 44.23 ATOM 976 HA ARG 63 -13.002 -22.500 30.528 1.00 44.12 ATOM 977 CB ARG 63 -13.280 -23.425 28.609 1.00 63.41 ATOM 978 HB1 ARG 63 -13.628 -22.530 28.114 1.00 38.69 ATOM 979 HB2 ARG 63 -14.135 -23.980 28.974 1.00 62.33 ATOM 980 CG ARG 63 -12.547 -24.283 27.590 1.00 5.10 ATOM 981 HG1 ARG 63 -12.035 -25.077 28.115 1.00 38.69 ATOM 982 HG2 ARG 63 -11.817 -23.667 27.089 1.00 61.22 ATOM 983 CD ARG 63 -13.459 -24.902 26.538 1.00 4.12 ATOM 984 HD1 ARG 63 -13.759 -24.138 25.835 1.00 38.69 ATOM 985 HD2 ARG 63 -14.334 -25.313 27.024 1.00 42.51 ATOM 986 NE ARG 63 -12.761 -25.966 25.820 1.00 55.30 ATOM 987 HE ARG 63 -11.785 -25.997 25.898 1.00 11.34 ATOM 988 CZ ARG 63 -13.349 -26.904 25.136 1.00 41.41 ATOM 989 NH1 ARG 63 -14.628 -26.896 24.955 1.00 33.41 ATOM 990 HH11 ARG 63 -15.182 -26.161 25.338 1.00 13.34 ATOM 991 HH12 ARG 63 -15.060 -27.632 24.441 1.00 62.30 ATOM 992 NH2 ARG 63 -12.641 -27.851 24.623 1.00 51.12 ATOM 993 HH21 ARG 63 -11.648 -27.855 24.754 1.00 53.15 ATOM 994 HH22 ARG 63 -13.084 -28.585 24.121 1.00 72.13 ATOM 995 C ARG 63 -11.822 -24.297 30.473 1.00 74.11 ATOM 996 O ARG 63 -12.360 -24.779 31.470 1.00 40.23 ATOM 997 N GLU 64 -10.729 -24.836 29.918 1.00 12.55 ATOM 998 HN GLU 64 -10.317 -24.389 29.145 1.00 38.69 ATOM 999 CA GLU 64 -10.130 -26.084 30.424 1.00 51.50 ATOM 1000 HA GLU 64 -10.898 -26.605 30.982 1.00 20.44 ATOM 1001 CB GLU 64 -9.704 -26.979 29.239 1.00 15.53 ATOM 1002 HB1 GLU 64 -9.293 -27.903 29.624 1.00 38.69 ATOM 1003 HB2 GLU 64 -8.946 -26.466 28.664 1.00 13.11 ATOM 1004 CG GLU 64 -10.874 -27.320 28.310 1.00 22.54 ATOM 1005 HG1 GLU 64 -11.252 -26.396 27.903 1.00 38.69 ATOM 1006 HG2 GLU 64 -11.651 -27.786 28.896 1.00 44.20 ATOM 1007 CD GLU 64 -10.526 -28.247 27.150 1.00 71.31 ATOM 1008 OE1 GLU 64 -10.264 -27.743 26.033 1.00 3.10 ATOM 1009 OE2 GLU 64 -10.539 -29.485 27.337 1.00 61.14 ATOM 1010 C GLU 64 -8.955 -25.806 31.386 1.00 11.21 ATOM 1011 O GLU 64 -8.151 -26.694 31.684 1.00 21.40 ATOM 1012 N ARG 65 -8.878 -24.559 31.871 1.00 52.32 ATOM 1013 HN ARG 65 -9.462 -23.873 31.484 1.00 38.69 ATOM 1014 CA ARG 65 -7.956 -24.165 32.955 1.00 13.41 ATOM 1015 HA ARG 65 -8.128 -23.117 33.151 1.00 24.02 ATOM 1016 CB ARG 65 -8.287 -24.955 34.232 1.00 40.51 ATOM 1017 HB1 ARG 65 -7.640 -24.618 35.030 1.00 38.69 ATOM 1018 HB2 ARG 65 -8.099 -26.004 34.051 1.00 4.54 ATOM 1019 CG ARG 65 -9.735 -24.804 34.696 1.00 61.32 ATOM 1020 HG1 ARG 65 -9.885 -25.412 35.579 1.00 38.69 ATOM 1021 HG2 ARG 65 -10.392 -25.148 33.910 1.00 41.34 ATOM 1022 CD ARG 65 -10.081 -23.356 35.027 1.00 14.25 ATOM 1023 HD1 ARG 65 -9.935 -22.753 34.141 1.00 38.69 ATOM 1024 HD2 ARG 65 -9.419 -23.009 35.808 1.00 74.14 ATOM 1025 NE ARG 65 -11.467 -23.211 35.474 1.00 41.40 ATOM 1026 HE ARG 65 -12.156 -23.699 34.979 1.00 74.13 ATOM 1027 CZ ARG 65 -11.840 -22.465 36.480 1.00 74.54 ATOM 1028 NH1 ARG 65 -10.964 -21.798 37.160 1.00 72.02 ATOM 1029 HH11 ARG 65 -9.998 -21.848 36.916 1.00 65.30 ATOM 1030 HH12 ARG 65 -11.258 -21.234 37.932 1.00 1.41 ATOM 1031 NH2 ARG 65 -13.092 -22.386 36.807 1.00 73.01 ATOM 1032 HH21 ARG 65 -13.779 -22.895 36.291 1.00 32.33 ATOM 1033 HH22 ARG 65 -13.366 -21.812 37.577 1.00 31.42 ATOM 1034 C ARG 65 -6.468 -24.341 32.590 1.00 52.12 ATOM 1035 O ARG 65 -5.610 -24.430 33.471 1.00 23.15 ATOM 1036 N ARG 66 -6.160 -24.358 31.300 1.00 31.11 ATOM 1037 HN ARG 66 -6.879 -24.273 30.639 1.00 38.69 ATOM 1038 CA ARG 66 -4.775 -24.494 30.835 1.00 40.52 ATOM 1039 HA ARG 66 -4.284 -25.220 31.468 1.00 54.21 ATOM 1040 CB ARG 66 -4.745 -25.000 29.388 1.00 71.15 ATOM 1041 HB1 ARG 66 -3.715 -25.098 29.073 1.00 38.69 ATOM 1042 HB2 ARG 66 -5.237 -24.275 28.757 1.00 5.50 ATOM 1043 CG ARG 66 -5.433 -26.343 29.194 1.00 15.31 ATOM 1044 HG1 ARG 66 -6.453 -26.264 29.546 1.00 38.69 ATOM 1045 HG2 ARG 66 -4.911 -27.092 29.774 1.00 42.10 ATOM 1046 CD ARG 66 -5.446 -26.772 27.731 1.00 51.54 ATOM 1047 HD1 ARG 66 -4.427 -26.916 27.398 1.00 38.69 ATOM 1048 HD2 ARG 66 -5.913 -25.995 27.139 1.00 51.30 ATOM 1049 NE ARG 66 -6.182 -28.021 27.555 1.00 41.42 ATOM 1050 HE ARG 66 -5.917 -28.781 28.104 1.00 31.33 ATOM 1051 CZ ARG 66 -7.191 -28.170 26.749 1.00 64.13 ATOM 1052 NH1 ARG 66 -7.552 -27.223 25.947 1.00 51.11 ATOM 1053 HH11 ARG 66 -7.047 -26.357 25.924 1.00 74.31 ATOM 1054 HH12 ARG 66 -8.350 -27.346 25.364 1.00 64.52 ATOM 1055 NH2 ARG 66 -7.824 -29.293 26.724 1.00 63.21 ATOM 1056 HH21 ARG 66 -7.536 -30.042 27.314 1.00 1.52 ATOM 1057 HH22 ARG 66 -8.622 -29.398 26.134 1.00 44.25 ATOM 1058 C ARG 66 -4.018 -23.159 30.928 1.00 74.24 ATOM 1059 O ARG 66 -4.375 -22.185 30.264 1.00 35.54 ATOM 1060 N VAL 67 -2.987 -23.114 31.769 1.00 32.13 ATOM 1061 HN VAL 67 -2.813 -23.884 32.350 1.00 38.69 ATOM 1062 CA VAL 67 -2.106 -21.943 31.852 1.00 52.54 ATOM 1063 HA VAL 67 -2.724 -21.062 31.971 1.00 32.33 ATOM 1064 CB VAL 67 -1.151 -22.041 33.071 1.00 31.33 ATOM 1065 HB VAL 67 -0.514 -22.905 32.933 1.00 45.50 ATOM 1066 CG1 VAL 67 -0.253 -20.806 33.164 1.00 34.05 ATOM 1067 HG11 VAL 67 -0.864 -19.920 33.264 1.00 0.13 ATOM 1068 HG12 VAL 67 0.348 -20.729 32.269 1.00 2.45 ATOM 1069 HG13 VAL 67 0.396 -20.895 34.024 1.00 14.42 ATOM 1070 CG2 VAL 67 -1.944 -22.241 34.362 1.00 52.11 ATOM 1071 HG21 VAL 67 -2.605 -21.400 34.516 1.00 55.24 ATOM 1072 HG22 VAL 67 -1.263 -22.320 35.198 1.00 75.11 ATOM 1073 HG23 VAL 67 -2.528 -23.149 34.288 1.00 75.43 ATOM 1074 C VAL 67 -1.278 -21.808 30.563 1.00 41.24 ATOM 1075 O VAL 67 -1.057 -20.708 30.056 1.00 12.11 ATOM 1076 N HIS 68 -0.834 -22.949 30.036 1.00 33.52 ATOM 1077 HN HIS 68 -1.031 -23.788 30.501 1.00 38.69 ATOM 1078 CA HIS 68 -0.077 -22.991 28.779 1.00 41.23 ATOM 1079 HA HIS 68 0.207 -21.976 28.529 1.00 54.44 ATOM 1080 CB HIS 68 1.202 -23.830 28.955 1.00 33.23 ATOM 1081 HB1 HIS 68 1.841 -23.349 29.683 1.00 38.69 ATOM 1082 HB2 HIS 68 1.724 -23.881 28.011 1.00 30.50 ATOM 1083 CG HIS 68 0.956 -25.238 29.415 1.00 43.22 ATOM 1084 ND1 HIS 68 0.940 -25.603 30.742 1.00 43.31 ATOM 1085 HD1 HIS 68 1.079 -25.001 31.508 1.00 61.33 ATOM 1086 CD2 HIS 68 0.720 -26.375 28.716 1.00 12.41 ATOM 1087 HD2 HIS 68 0.658 -26.465 27.640 1.00 31.24 ATOM 1088 CE1 HIS 68 0.709 -26.896 30.839 1.00 33.44 ATOM 1089 HE1 HIS 68 0.640 -27.455 31.759 1.00 13.33 ATOM 1090 NE2 HIS 68 0.569 -27.391 29.628 1.00 15.50 ATOM 1091 HE2 HIS 68 0.180 -28.269 29.432 1.00 38.69 ATOM 1092 C HIS 68 -0.936 -23.552 27.632 1.00 14.02 ATOM 1093 O HIS 68 -1.439 -24.674 27.712 1.00 2.41 ATOM 1094 N VAL 69 -1.102 -22.764 26.574 1.00 61.42 ATOM 1095 HN VAL 69 -0.703 -21.870 26.582 1.00 38.69 ATOM 1096 CA VAL 69 -1.867 -23.192 25.398 1.00 54.40 ATOM 1097 HA VAL 69 -2.819 -23.576 25.744 1.00 11.12 ATOM 1098 CB VAL 69 -2.140 -22.000 24.442 1.00 40.31 ATOM 1099 HB VAL 69 -1.196 -21.681 24.021 1.00 30.41 ATOM 1100 CG1 VAL 69 -3.046 -22.425 23.288 1.00 11.12 ATOM 1101 HG11 VAL 69 -4.001 -22.752 23.677 1.00 30.12 ATOM 1102 HG12 VAL 69 -2.582 -23.238 22.748 1.00 41.41 ATOM 1103 HG13 VAL 69 -3.196 -21.590 22.619 1.00 72.00 ATOM 1104 CG2 VAL 69 -2.740 -20.817 25.207 1.00 41.21 ATOM 1105 HG21 VAL 69 -3.679 -21.111 25.656 1.00 72.00 ATOM 1106 HG22 VAL 69 -2.910 -19.992 24.529 1.00 24.45 ATOM 1107 HG23 VAL 69 -2.054 -20.505 25.983 1.00 61.54 ATOM 1108 C VAL 69 -1.128 -24.308 24.638 1.00 34.22 ATOM 1109 O VAL 69 0.087 -24.230 24.415 1.00 21.21 ATOM 1110 N THR 70 -1.854 -25.355 24.254 1.00 31.55 ATOM 1111 HN THR 70 -2.825 -25.352 24.415 1.00 38.69 ATOM 1112 CA THR 70 -1.239 -26.508 23.584 1.00 63.32 ATOM 1113 HA THR 70 -0.166 -26.432 23.709 1.00 64.31 ATOM 1114 CB THR 70 -1.699 -27.855 24.200 1.00 71.43 ATOM 1115 HB THR 70 -1.018 -28.630 23.874 1.00 11.02 ATOM 1116 OG1 THR 70 -3.022 -28.184 23.751 1.00 41.43 ATOM 1117 HG1 THR 70 -3.659 -27.570 24.143 1.00 34.33 ATOM 1118 CG2 THR 70 -1.676 -27.799 25.725 1.00 73.01 ATOM 1119 HG21 THR 70 -2.004 -28.748 26.125 1.00 22.22 ATOM 1120 HG22 THR 70 -2.338 -27.017 26.069 1.00 12.11 ATOM 1121 HG23 THR 70 -0.671 -27.594 26.064 1.00 51.14 ATOM 1122 C THR 70 -1.557 -26.535 22.085 1.00 74.33 ATOM 1123 O THR 70 -2.316 -25.710 21.577 1.00 2.34 ATOM 1124 N GLN 71 -0.969 -27.501 21.386 1.00 35.21 ATOM 1125 HN GLN 71 -0.341 -28.097 21.842 1.00 38.69 ATOM 1126 CA GLN 71 -1.228 -27.708 19.956 1.00 41.53 ATOM 1127 HA GLN 71 -0.929 -26.814 19.426 1.00 62.34 ATOM 1128 CB GLN 71 -0.390 -28.896 19.459 1.00 24.40 ATOM 1129 HB1 GLN 71 -0.682 -29.778 20.013 1.00 38.69 ATOM 1130 HB2 GLN 71 0.652 -28.693 19.660 1.00 45.23 ATOM 1131 CG GLN 71 -0.536 -29.203 17.969 1.00 45.22 ATOM 1132 HG1 GLN 71 -1.589 -29.219 17.721 1.00 38.69 ATOM 1133 HG2 GLN 71 -0.113 -30.178 17.777 1.00 21.43 ATOM 1134 CD GLN 71 0.159 -28.190 17.072 1.00 11.05 ATOM 1135 OE1 GLN 71 0.287 -27.020 17.407 1.00 25.20 ATOM 1136 NE2 GLN 71 0.626 -28.639 15.924 1.00 73.25 ATOM 1137 HE21 GLN 71 0.508 -29.588 15.713 1.00 32.53 ATOM 1138 HE22 GLN 71 1.074 -28.001 15.331 1.00 35.11 ATOM 1139 C GLN 71 -2.724 -27.975 19.697 1.00 53.45 ATOM 1140 O GLN 71 -3.281 -27.556 18.678 1.00 42.10 ATOM 1141 N GLU 72 -3.368 -28.656 20.646 1.00 21.35 ATOM 1142 HN GLU 72 -2.890 -28.885 21.472 1.00 38.69 ATOM 1143 CA GLU 72 -4.772 -29.057 20.506 1.00 71.42 ATOM 1144 HA GLU 72 -4.865 -29.599 19.575 1.00 61.42 ATOM 1145 CB GLU 72 -5.170 -29.990 21.656 1.00 51.24 ATOM 1146 HB1 GLU 72 -6.219 -30.237 21.560 1.00 38.69 ATOM 1147 HB2 GLU 72 -5.015 -29.474 22.593 1.00 0.35 ATOM 1148 CG GLU 72 -4.374 -31.292 21.689 1.00 11.14 ATOM 1149 HG1 GLU 72 -3.324 -31.054 21.794 1.00 38.69 ATOM 1150 HG2 GLU 72 -4.528 -31.819 20.756 1.00 1.24 ATOM 1151 CD GLU 72 -4.787 -32.202 22.834 1.00 43.12 ATOM 1152 OE1 GLU 72 -4.043 -32.290 23.833 1.00 63.30 ATOM 1153 OE2 GLU 72 -5.864 -32.829 22.742 1.00 64.01 ATOM 1154 C GLU 72 -5.716 -27.845 20.462 1.00 55.12 ATOM 1155 O GLU 72 -6.646 -27.807 19.657 1.00 61.20 ATOM 1156 N ASP 73 -5.470 -26.859 21.325 1.00 41.34 ATOM 1157 HN ASP 73 -4.709 -26.940 21.939 1.00 38.69 ATOM 1158 CA ASP 73 -6.305 -25.652 21.385 1.00 64.20 ATOM 1159 HA ASP 73 -7.303 -25.954 21.673 1.00 4.45 ATOM 1160 CB ASP 73 -5.756 -24.684 22.442 1.00 41.25 ATOM 1161 HB1 ASP 73 -6.394 -23.811 22.490 1.00 38.69 ATOM 1162 HB2 ASP 73 -4.759 -24.378 22.159 1.00 61.13 ATOM 1163 CG ASP 73 -5.693 -25.310 23.827 1.00 3.14 ATOM 1164 OD1 ASP 73 -4.682 -25.975 24.137 1.00 61.14 ATOM 1165 OD2 ASP 73 -6.652 -25.143 24.607 1.00 4.50 ATOM 1166 C ASP 73 -6.380 -24.954 20.014 1.00 31.04 ATOM 1167 O ASP 73 -7.459 -24.568 19.556 1.00 44.12 ATOM 1168 N PHE 74 -5.228 -24.814 19.357 1.00 2.41 ATOM 1169 HN PHE 74 -4.404 -25.154 19.769 1.00 38.69 ATOM 1170 CA PHE 74 -5.157 -24.163 18.042 1.00 65.54 ATOM 1171 HA PHE 74 -5.610 -23.187 18.143 1.00 44.14 ATOM 1172 CB PHE 74 -3.694 -23.976 17.612 1.00 62.43 ATOM 1173 HB1 PHE 74 -3.666 -23.702 16.567 1.00 38.69 ATOM 1174 HB2 PHE 74 -3.166 -24.909 17.744 1.00 44.42 ATOM 1175 CG PHE 74 -2.959 -22.912 18.389 1.00 63.42 ATOM 1176 CD1 PHE 74 -2.161 -23.243 19.474 1.00 24.03 ATOM 1177 HD1 PHE 74 -2.069 -24.278 19.768 1.00 52.11 ATOM 1178 CD2 PHE 74 -3.064 -21.574 18.024 1.00 2.44 ATOM 1179 HD2 PHE 74 -3.684 -21.302 17.181 1.00 75.41 ATOM 1180 CE1 PHE 74 -1.482 -22.264 20.178 1.00 11.02 ATOM 1181 HE1 PHE 74 -0.865 -22.536 21.021 1.00 1.14 ATOM 1182 CE2 PHE 74 -2.388 -20.594 18.725 1.00 35.22 ATOM 1183 HE2 PHE 74 -2.479 -19.559 18.431 1.00 41.35 ATOM 1184 CZ PHE 74 -1.597 -20.939 19.803 1.00 14.13 ATOM 1185 HZ PHE 74 -1.067 -20.174 20.351 1.00 54.14 ATOM 1186 C PHE 74 -5.927 -24.939 16.956 1.00 74.43 ATOM 1187 O PHE 74 -6.785 -24.375 16.275 1.00 55.14 ATOM 1188 N GLU 75 -5.625 -26.229 16.792 1.00 41.24 ATOM 1189 HN GLU 75 -4.959 -26.648 17.383 1.00 38.69 ATOM 1190 CA GLU 75 -6.264 -27.036 15.738 1.00 14.34 ATOM 1191 HA GLU 75 -6.149 -26.487 14.812 1.00 12.44 ATOM 1192 CB GLU 75 -5.559 -28.392 15.578 1.00 53.41 ATOM 1193 HB1 GLU 75 -4.554 -28.215 15.220 1.00 38.69 ATOM 1194 HB2 GLU 75 -6.090 -28.975 14.839 1.00 43.01 ATOM 1195 CG GLU 75 -5.467 -29.215 16.856 1.00 20.13 ATOM 1196 HG1 GLU 75 -6.467 -29.441 17.202 1.00 38.69 ATOM 1197 HG2 GLU 75 -4.950 -28.635 17.609 1.00 71.21 ATOM 1198 CD GLU 75 -4.715 -30.518 16.644 1.00 73.54 ATOM 1199 OE1 GLU 75 -5.362 -31.583 16.571 1.00 74.20 ATOM 1200 OE2 GLU 75 -3.474 -30.478 16.509 1.00 33.14 ATOM 1201 C GLU 75 -7.773 -27.224 15.982 1.00 43.14 ATOM 1202 O GLU 75 -8.556 -27.302 15.031 1.00 21.41 ATOM 1203 N MET 76 -8.184 -27.284 17.249 1.00 64.52 ATOM 1204 HN MET 76 -7.518 -27.304 17.969 1.00 38.69 ATOM 1205 CA MET 76 -9.614 -27.320 17.586 1.00 45.15 ATOM 1206 HA MET 76 -10.064 -28.127 17.022 1.00 14.32 ATOM 1207 CB MET 76 -9.816 -27.586 19.084 1.00 74.12 ATOM 1208 HB1 MET 76 -10.853 -27.409 19.335 1.00 38.69 ATOM 1209 HB2 MET 76 -9.198 -26.901 19.648 1.00 1.41 ATOM 1210 CG MET 76 -9.461 -29.007 19.506 1.00 35.24 ATOM 1211 HG1 MET 76 -9.618 -29.103 20.571 1.00 38.69 ATOM 1212 HG2 MET 76 -8.420 -29.187 19.279 1.00 32.24 ATOM 1213 SD MET 76 -10.460 -30.249 18.661 1.00 62.31 ATOM 1214 CE MET 76 -12.116 -29.780 19.172 1.00 75.22 ATOM 1215 HE1 MET 76 -12.183 -29.820 20.248 1.00 41.32 ATOM 1216 HE2 MET 76 -12.835 -30.462 18.740 1.00 24.23 ATOM 1217 HE3 MET 76 -12.325 -28.774 18.836 1.00 50.34 ATOM 1218 C MET 76 -10.295 -26.003 17.187 1.00 75.24 ATOM 1219 O MET 76 -11.442 -25.991 16.731 1.00 42.54 ATOM 1220 N ALA 77 -9.576 -24.897 17.361 1.00 64.35 ATOM 1221 HN ALA 77 -8.702 -24.964 17.807 1.00 38.69 ATOM 1222 CA ALA 77 -10.051 -23.582 16.919 1.00 60.15 ATOM 1223 HA ALA 77 -11.010 -23.401 17.388 1.00 73.54 ATOM 1224 CB ALA 77 -9.087 -22.499 17.382 1.00 41.43 ATOM 1225 HB1 ALA 77 -9.442 -21.534 17.051 1.00 12.40 ATOM 1226 HB2 ALA 77 -8.108 -22.685 16.966 1.00 1.12 ATOM 1227 HB3 ALA 77 -9.024 -22.508 18.462 1.00 73.30 ATOM 1228 C ALA 77 -10.229 -23.539 15.395 1.00 50.44 ATOM 1229 O ALA 77 -11.215 -23.002 14.887 1.00 42.42 ATOM 1230 N VAL 78 -9.272 -24.117 14.669 1.00 32.22 ATOM 1231 HN VAL 78 -8.470 -24.455 15.124 1.00 38.69 ATOM 1232 CA VAL 78 -9.381 -24.255 13.208 1.00 23.24 ATOM 1233 HA VAL 78 -9.443 -23.261 12.781 1.00 23.05 ATOM 1234 CB VAL 78 -8.140 -24.970 12.611 1.00 71.21 ATOM 1235 HB VAL 78 -8.078 -25.958 13.050 1.00 21.30 ATOM 1236 CG1 VAL 78 -8.277 -25.136 11.097 1.00 23.32 ATOM 1237 HG11 VAL 78 -9.155 -25.727 10.876 1.00 71.34 ATOM 1238 HG12 VAL 78 -7.402 -25.635 10.706 1.00 33.22 ATOM 1239 HG13 VAL 78 -8.372 -24.164 10.632 1.00 51.23 ATOM 1240 CG2 VAL 78 -6.859 -24.217 12.965 1.00 40.40 ATOM 1241 HG21 VAL 78 -6.764 -24.152 14.040 1.00 74.20 ATOM 1242 HG22 VAL 78 -6.895 -23.221 12.549 1.00 52.11 ATOM 1243 HG23 VAL 78 -6.006 -24.744 12.562 1.00 62.11 ATOM 1244 C VAL 78 -10.646 -25.046 12.829 1.00 0.31 ATOM 1245 O VAL 78 -11.414 -24.641 11.950 1.00 10.53 ATOM 1246 N ALA 79 -10.859 -26.169 13.516 1.00 40.42 ATOM 1247 HN ALA 79 -10.190 -26.453 14.179 1.00 38.69 ATOM 1248 CA ALA 79 -12.050 -27.003 13.307 1.00 54.13 ATOM 1249 HA ALA 79 -12.084 -27.275 12.261 1.00 45.21 ATOM 1250 CB ALA 79 -11.942 -28.286 14.124 1.00 40.21 ATOM 1251 HB1 ALA 79 -11.924 -28.044 15.177 1.00 21.44 ATOM 1252 HB2 ALA 79 -11.033 -28.807 13.861 1.00 73.04 ATOM 1253 HB3 ALA 79 -12.792 -28.921 13.916 1.00 33.12 ATOM 1254 C ALA 79 -13.345 -26.253 13.664 1.00 63.50 ATOM 1255 O ALA 79 -14.427 -26.602 13.191 1.00 70.42 ATOM 1256 N LYS 80 -13.226 -25.231 14.508 1.00 4.52 ATOM 1257 HN LYS 80 -12.342 -25.029 14.883 1.00 38.69 ATOM 1258 CA LYS 80 -14.376 -24.413 14.909 1.00 11.53 ATOM 1259 HA LYS 80 -15.238 -25.063 14.981 1.00 53.53 ATOM 1260 CB LYS 80 -14.109 -23.789 16.289 1.00 24.41 ATOM 1261 HB1 LYS 80 -13.246 -23.140 16.209 1.00 38.69 ATOM 1262 HB2 LYS 80 -13.878 -24.584 16.986 1.00 74.34 ATOM 1263 CG LYS 80 -15.270 -22.969 16.872 1.00 22.24 ATOM 1264 HG1 LYS 80 -15.677 -22.342 16.091 1.00 38.69 ATOM 1265 HG2 LYS 80 -14.884 -22.343 17.664 1.00 32.24 ATOM 1266 CD LYS 80 -16.397 -23.842 17.448 1.00 35.12 ATOM 1267 HD1 LYS 80 -17.006 -23.233 18.103 1.00 38.69 ATOM 1268 HD2 LYS 80 -15.958 -24.647 18.018 1.00 63.12 ATOM 1269 CE LYS 80 -17.289 -24.446 16.367 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.677 -25.027 15.693 1.00 38.69 ATOM 1271 HE2 LYS 80 -17.762 -23.645 15.820 1.00 2.42 ATOM 1272 NZ LYS 80 -18.342 -25.325 16.939 1.00 35.41 ATOM 1273 HZ1 LYS 80 -18.942 -25.707 16.178 1.00 30.44 ATOM 1274 HZ2 LYS 80 -18.939 -24.790 17.598 1.00 13.44 ATOM 1275 HZ3 LYS 80 -17.907 -26.123 17.450 1.00 54.05 ATOM 1276 C LYS 80 -14.673 -23.305 13.879 1.00 64.11 ATOM 1277 O LYS 80 -15.821 -23.101 13.485 1.00 33.54 ATOM 1278 N VAL 81 -13.628 -22.596 13.449 1.00 30.21 ATOM 1279 HN VAL 81 -12.733 -22.825 13.781 1.00 38.69 ATOM 1280 CA VAL 81 -13.775 -21.480 12.501 1.00 15.01 ATOM 1281 HA VAL 81 -14.641 -20.902 12.799 1.00 44.32 ATOM 1282 CB VAL 81 -12.534 -20.546 12.547 1.00 32.25 ATOM 1283 HB VAL 81 -11.667 -21.122 12.249 1.00 73.53 ATOM 1284 CG1 VAL 81 -12.684 -19.379 11.568 1.00 61.35 ATOM 1285 HG11 VAL 81 -13.554 -18.793 11.833 1.00 72.43 ATOM 1286 HG12 VAL 81 -12.802 -19.760 10.564 1.00 23.15 ATOM 1287 HG13 VAL 81 -11.803 -18.755 11.612 1.00 50.32 ATOM 1288 CG2 VAL 81 -12.295 -20.038 13.969 1.00 30.44 ATOM 1289 HG21 VAL 81 -11.414 -19.413 13.986 1.00 62.04 ATOM 1290 HG22 VAL 81 -12.152 -20.879 14.633 1.00 31.10 ATOM 1291 HG23 VAL 81 -13.150 -19.463 14.296 1.00 35.14 ATOM 1292 C VAL 81 -13.983 -21.973 11.056 1.00 25.23 ATOM 1293 O VAL 81 -14.954 -21.600 10.391 1.00 2.11 ATOM 1294 N MET 82 -13.063 -22.805 10.573 1.00 23.12 ATOM 1295 HN MET 82 -12.319 -23.078 11.151 1.00 38.69 ATOM 1296 CA MET 82 -13.130 -23.327 9.200 1.00 12.40 ATOM 1297 HA MET 82 -13.504 -22.534 8.565 1.00 53.15 ATOM 1298 CB MET 82 -11.728 -23.726 8.716 1.00 12.24 ATOM 1299 HB1 MET 82 -11.804 -24.119 7.712 1.00 38.69 ATOM 1300 HB2 MET 82 -11.341 -24.499 9.366 1.00 52.04 ATOM 1301 CG MET 82 -10.734 -22.570 8.700 1.00 71.35 ATOM 1302 HG1 MET 82 -9.782 -22.934 8.340 1.00 38.69 ATOM 1303 HG2 MET 82 -10.615 -22.197 9.708 1.00 53.41 ATOM 1304 SD MET 82 -11.271 -21.210 7.639 1.00 54.24 ATOM 1305 CE MET 82 -11.273 -22.005 6.031 1.00 41.42 ATOM 1306 HE1 MET 82 -11.967 -22.833 6.038 1.00 54.42 ATOM 1307 HE2 MET 82 -10.281 -22.370 5.805 1.00 72.45 ATOM 1308 HE3 MET 82 -11.574 -21.290 5.279 1.00 23.33 ATOM 1309 C MET 82 -14.086 -24.527 9.094 1.00 14.14 ATOM 1310 O MET 82 -14.580 -24.842 8.010 1.00 42.13 ATOM 1311 N GLN 83 -14.318 -25.203 10.224 1.00 24.44 ATOM 1312 HN GLN 83 -13.860 -24.918 11.042 1.00 38.69 ATOM 1313 CA GLN 83 -15.240 -26.351 10.296 1.00 0.44 ATOM 1314 HA GLN 83 -15.225 -26.706 11.317 1.00 22.32 ATOM 1315 CB GLN 83 -16.673 -25.910 9.958 1.00 1.44 ATOM 1316 HB1 GLN 83 -17.306 -26.786 9.910 1.00 38.69 ATOM 1317 HB2 GLN 83 -16.667 -25.429 8.990 1.00 34.33 ATOM 1318 CG GLN 83 -17.276 -24.940 10.970 1.00 63.34 ATOM 1319 HG1 GLN 83 -16.654 -24.056 11.015 1.00 38.69 ATOM 1320 HG2 GLN 83 -17.291 -25.414 11.942 1.00 61.42 ATOM 1321 CD GLN 83 -18.692 -24.516 10.615 1.00 13.01 ATOM 1322 OE1 GLN 83 -19.059 -24.432 9.446 1.00 31.02 ATOM 1323 NE2 GLN 83 -19.503 -24.258 11.622 1.00 61.01 ATOM 1324 HE21 GLN 83 -19.152 -24.346 12.533 1.00 53.01 ATOM 1325 HE22 GLN 83 -20.421 -23.992 11.415 1.00 52.12 ATOM 1326 C GLN 83 -14.812 -27.515 9.388 1.00 4.12 ATOM 1327 O GLN 83 -15.560 -28.478 9.208 1.00 63.41 ATOM 1328 N LYS 84 -13.603 -27.446 8.840 1.00 30.05 ATOM 1329 HN LYS 84 -13.026 -26.684 9.048 1.00 38.69 ATOM 1330 CA LYS 84 -13.118 -28.484 7.930 1.00 11.40 ATOM 1331 HA LYS 84 -13.960 -28.789 7.322 1.00 43.33 ATOM 1332 CB LYS 84 -12.032 -27.935 6.994 1.00 20.13 ATOM 1333 HB1 LYS 84 -11.555 -28.764 6.489 1.00 38.69 ATOM 1334 HB2 LYS 84 -11.293 -27.413 7.586 1.00 75.24 ATOM 1335 CG LYS 84 -12.567 -26.972 5.935 1.00 22.40 ATOM 1336 HG1 LYS 84 -12.905 -26.068 6.425 1.00 38.69 ATOM 1337 HG2 LYS 84 -13.401 -27.437 5.428 1.00 2.32 ATOM 1338 CD LYS 84 -11.504 -26.607 4.900 1.00 11.35 ATOM 1339 HD1 LYS 84 -10.717 -26.051 5.390 1.00 38.69 ATOM 1340 HD2 LYS 84 -11.958 -25.989 4.137 1.00 32.12 ATOM 1341 CE LYS 84 -10.901 -27.844 4.234 1.00 21.23 ATOM 1342 HE1 LYS 84 -10.373 -28.420 4.981 1.00 38.69 ATOM 1343 HE2 LYS 84 -10.202 -27.522 3.474 1.00 73.01 ATOM 1344 NZ LYS 84 -11.934 -28.708 3.599 1.00 31.53 ATOM 1345 HZ1 LYS 84 -12.603 -29.056 4.313 1.00 15.10 ATOM 1346 HZ2 LYS 84 -11.486 -29.526 3.141 1.00 23.34 ATOM 1347 HZ3 LYS 84 -12.461 -28.167 2.885 1.00 22.02 ATOM 1348 C LYS 84 -12.607 -29.726 8.675 1.00 42.55 ATOM 1349 O LYS 84 -11.399 -29.944 8.813 1.00 35.00 ATOM 1350 N ASP 85 -13.543 -30.521 9.182 1.00 62.14 ATOM 1351 HN ASP 85 -14.466 -30.194 9.235 1.00 38.69 ATOM 1352 CA ASP 85 -13.228 -31.858 9.677 1.00 13.55 ATOM 1353 HA ASP 85 -12.339 -31.793 10.291 1.00 1.53 ATOM 1354 CB ASP 85 -14.395 -32.390 10.519 1.00 23.43 ATOM 1355 HB1 ASP 85 -15.280 -32.449 9.900 1.00 38.69 ATOM 1356 HB2 ASP 85 -14.581 -31.707 11.336 1.00 52.33 ATOM 1357 CG ASP 85 -14.115 -33.765 11.099 1.00 2.33 ATOM 1358 OD1 ASP 85 -13.367 -33.854 12.095 1.00 41.44 ATOM 1359 OD2 ASP 85 -14.641 -34.764 10.562 1.00 3.40 ATOM 1360 C ASP 85 -12.948 -32.783 8.481 1.00 14.03 ATOM 1361 O ASP 85 -12.192 -33.752 8.573 1.00 21.30 ATOM 1362 N SER 86 -13.581 -32.453 7.355 1.00 24.42 ATOM 1363 HN SER 86 -14.228 -31.720 7.383 1.00 38.69 ATOM 1364 HA SER 86 -12.354 -33.564 6.097 1.00 65.14 ATOM 1365 CB SER 86 -14.376 -34.256 5.850 1.00 73.35 ATOM 1366 HB1 SER 86 -14.219 -34.700 4.878 1.00 38.69 ATOM 1367 HB2 SER 86 -15.374 -33.842 5.897 1.00 1.43 ATOM 1368 OG SER 86 -14.258 -35.269 6.839 1.00 61.11 ATOM 1369 HG SER 86 -14.133 -34.859 7.701 1.00 62.32 ATOM 1370 CA SER 86 -13.347 -33.133 6.070 1.00 61.52 ATOM 1371 C SER 86 -13.417 -32.122 4.908 1.00 64.53 ATOM 1372 OT1 SER 86 -14.531 -31.879 4.390 1.00 38.69 ATOM 1373 OT2 SER 86 -12.368 -31.543 4.549 1.00 38.69 ATOM 1374 OH2 TIP3 1 -16.727 -39.571 11.658 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -17.190 -38.858 12.141 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.070 -39.900 12.302 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -18.074 -32.560 17.793 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.944 -32.998 17.919 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -18.166 -32.090 16.953 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -21.516 -27.947 18.855 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -22.230 -27.305 18.981 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -21.473 -28.426 19.710 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.609 -33.661 17.897 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -20.530 -33.941 16.955 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -21.078 -34.389 18.320 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -22.082 -27.852 3.353 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -21.987 -26.993 2.876 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -22.942 -28.180 3.076 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -22.429 -31.596 11.477 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -22.995 -32.376 11.484 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -21.990 -31.611 12.356 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -19.900 -32.578 10.500 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -19.677 -32.652 9.544 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -20.721 -32.060 10.516 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -21.145 -32.311 13.844 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -20.582 -32.910 13.305 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -21.328 -32.822 14.649 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.580 -38.825 0.037 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -15.902 -38.795 0.751 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -16.521 -39.718 -0.307 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -18.129 -36.648 7.653 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -17.664 -36.018 8.250 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -18.427 -37.365 8.253 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -20.186 -34.591 15.355 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -19.973 -34.477 14.407 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -19.787 -35.466 15.582 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.253 -36.205 0.297 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -18.011 -36.140 -0.285 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -16.965 -37.141 0.210 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -23.325 -29.745 9.642 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -23.028 -30.193 8.846 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -22.958 -30.287 10.374 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -21.855 -28.609 14.784 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -21.735 -27.776 14.265 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -22.731 -28.920 14.531 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -19.720 -28.716 4.300 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -19.576 -29.438 3.641 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -20.603 -28.344 4.052 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -20.604 -31.379 19.527 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -19.917 -30.869 19.057 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -20.683 -32.205 19.010 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.555 -29.428 21.192 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -22.103 -29.856 21.859 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -21.193 -30.179 20.660 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -19.297 -29.440 17.981 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.111 -28.941 18.201 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.474 -29.804 17.083 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.424 -27.621 28.354 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.484 -28.336 29.024 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.292 -26.819 28.876 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -20.140 -27.415 22.705 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -20.767 -26.871 23.227 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -20.713 -27.990 22.161 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.253 -12.838 1.823 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -15.371 -12.343 2.654 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.923 -13.556 1.878 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -28.569 -17.733 -1.935 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -28.920 -17.154 -2.640 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -29.166 -18.486 -1.926 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -25.189 -16.515 -5.111 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -25.357 -17.372 -4.711 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -25.687 -15.884 -4.549 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.830 -12.195 -2.423 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.226 -11.923 -1.697 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.227 -12.515 -3.125 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -21.228 -14.541 -4.564 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -21.837 -14.923 -5.242 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -21.269 -13.579 -4.724 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -27.653 -10.326 -0.581 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -27.745 -10.291 0.396 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -28.205 -9.578 -0.898 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -26.651 -14.948 -3.389 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -26.793 -14.011 -3.154 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -26.514 -15.394 -2.518 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -15.716 -12.974 -5.890 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -15.568 -12.519 -6.741 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -15.319 -13.862 -6.025 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -19.651 -10.780 -5.211 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.073 -11.534 -4.960 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -20.540 -11.181 -5.292 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -21.561 -15.552 1.409 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -22.368 -15.907 1.839 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -21.011 -16.345 1.254 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.702 -15.649 -4.850 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -19.609 -15.401 -4.562 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.796 -15.830 -5.791 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -16.503 -26.326 -0.283 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -15.795 -27.003 -0.345 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -17.275 -26.819 0.036 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -27.249 -9.894 -3.494 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -27.141 -9.585 -2.580 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -27.297 -10.860 -3.413 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -24.687 -12.296 -3.186 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -24.374 -13.215 -3.059 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -25.625 -12.321 -2.917 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -23.021 -15.463 -6.370 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -23.181 -15.637 -7.302 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -23.801 -15.858 -5.915 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -22.251 -11.918 -5.047 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -22.571 -11.004 -4.859 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -23.056 -12.402 -5.282 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -23.007 -14.310 -2.442 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -23.055 -15.140 -1.952 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -22.294 -14.460 -3.099 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -24.747 -9.994 9.668 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -24.398 -10.239 10.530 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -25.636 -10.423 9.638 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -24.200 -21.200 11.477 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -24.200 -22.089 11.895 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -24.265 -21.382 10.524 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -22.961 -21.267 5.869 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -23.182 -20.703 5.120 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -22.013 -21.468 5.746 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -24.960 -15.009 3.895 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -25.855 -15.286 3.584 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -24.955 -14.052 3.761 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -22.389 -25.342 11.243 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -22.999 -26.015 10.853 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -22.174 -24.749 10.491 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -21.479 -26.211 13.653 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -21.763 -25.936 12.751 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -21.702 -25.436 14.220 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -26.420 -9.212 4.173 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -25.631 -8.638 4.113 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -26.942 -8.829 4.904 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -22.418 -13.973 4.717 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -23.149 -14.592 4.880 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -22.770 -13.369 4.032 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -21.329 -18.308 14.535 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -21.517 -19.052 13.917 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -21.845 -17.577 14.184 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -23.642 -12.230 2.993 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -24.551 -12.136 2.610 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -23.464 -11.357 3.408 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.361 -21.201 15.422 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -21.357 -20.298 15.776 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.649 -21.087 14.488 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -22.157 -24.383 17.895 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -21.351 -24.791 18.276 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -22.845 -24.536 18.578 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -23.525 -21.415 8.601 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -23.538 -21.382 7.621 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -23.042 -20.598 8.860 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -23.662 -23.525 12.841 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -23.263 -23.682 13.715 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -23.284 -24.225 12.275 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -20.355 -21.355 11.003 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -20.630 -22.122 10.464 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -19.401 -21.257 10.815 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -27.514 -14.049 0.332 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -28.318 -13.952 -0.214 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -27.011 -14.768 -0.113 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.440 -20.849 2.324 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.562 -21.753 1.976 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -19.580 -20.894 2.793 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.178 -18.297 12.347 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -18.129 -18.144 12.263 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -17.067 -18.608 13.281 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -22.055 -20.389 12.930 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -22.931 -20.545 12.501 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -21.409 -20.762 12.288 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -27.360 -15.422 2.712 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -27.436 -14.857 1.915 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -28.168 -15.941 2.711 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -26.516 -16.198 -1.012 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -27.216 -16.868 -1.190 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -25.790 -16.715 -0.584 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -23.550 -17.026 2.670 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -24.080 -16.406 3.222 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -23.237 -17.703 3.302 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -29.176 -15.830 -3.866 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -28.238 -15.529 -3.879 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -29.415 -15.904 -4.798 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -29.427 -14.019 -1.756 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -29.495 -14.741 -2.416 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -30.324 -13.670 -1.693 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -26.091 -12.209 1.859 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -26.524 -12.874 1.282 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -26.800 -11.564 2.049 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -27.969 -10.119 2.166 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -28.834 -9.800 2.499 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -27.327 -9.811 2.850 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.116 -23.976 15.167 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -22.220 -24.275 16.099 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -21.886 -23.030 15.249 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -21.695 -19.552 9.421 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -20.911 -19.107 9.056 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -21.337 -20.119 10.132 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -27.284 -12.429 -2.284 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -27.292 -11.739 -1.574 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -28.091 -12.959 -2.104 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -24.540 -17.604 0.174 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -24.297 -17.336 1.086 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -24.028 -18.402 0.020 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -18.126 -17.259 2.657 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.451 -17.068 3.565 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -18.935 -17.503 2.162 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -20.572 -23.838 21.448 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -21.460 -23.838 21.853 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -20.158 -22.999 21.771 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -19.378 -16.507 5.012 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -20.192 -15.983 5.039 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -19.627 -17.363 5.438 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -20.105 -18.897 6.136 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -20.064 -19.867 5.990 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.764 -18.782 7.052 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.069 -18.781 8.694 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -18.574 -17.974 8.959 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -18.589 -19.509 9.143 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -21.976 -19.074 3.954 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -21.498 -18.976 4.803 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -21.541 -19.840 3.521 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -21.760 -23.331 9.445 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -21.318 -23.550 8.608 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -22.492 -22.725 9.179 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -20.458 -17.903 17.128 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -20.744 -17.964 16.194 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -19.803 -18.626 17.223 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -19.935 -22.521 17.362 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -20.354 -22.050 16.611 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -20.678 -22.958 17.811 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -20.157 -21.595 5.508 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -20.078 -22.409 6.057 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -19.407 -21.658 4.882 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -21.673 -25.597 1.914 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -21.122 -25.722 1.115 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -21.431 -24.713 2.228 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -19.776 -25.717 -0.075 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -19.676 -25.640 -1.031 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -19.358 -26.582 0.142 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -22.330 -13.058 0.715 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -22.055 -13.998 0.811 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -22.773 -12.852 1.567 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.854 -30.331 15.468 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -20.540 -29.659 15.255 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -20.011 -31.037 14.817 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -24.124 -27.233 10.313 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -23.761 -28.121 10.093 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -25.056 -27.299 10.087 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -19.918 -23.960 7.007 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -19.714 -24.800 6.558 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -19.509 -24.058 7.895 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -23.736 -25.082 20.035 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -24.691 -25.129 20.136 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -23.410 -24.859 20.933 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -20.245 -23.346 25.554 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -19.540 -23.576 26.185 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -20.083 -22.405 25.347 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -19.657 -26.006 33.114 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -20.269 -25.966 33.871 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -18.895 -25.464 33.400 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -23.039 -24.419 22.640 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -23.490 -23.795 23.219 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -22.492 -24.962 23.254 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -17.402 -19.690 22.340 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.826 -19.183 21.722 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -18.133 -19.067 22.555 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -20.566 -15.939 18.965 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -21.437 -15.564 18.796 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -20.508 -16.703 18.340 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -15.252 -22.206 24.140 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -15.707 -21.560 23.583 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -15.430 -23.066 23.700 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -19.471 -20.700 25.007 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.887 -20.667 25.793 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -19.478 -19.785 24.675 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -19.236 -17.955 23.383 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.678 -17.314 22.778 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.786 -17.388 24.041 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -19.899 -25.199 19.203 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -20.081 -24.728 20.050 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -19.298 -25.935 19.462 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -19.264 -22.705 34.843 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -19.319 -21.950 34.245 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -18.478 -23.204 34.529 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -20.500 -26.853 16.523 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -20.980 -27.441 15.914 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -20.825 -27.109 17.408 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.437 -24.742 34.116 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.736 -25.336 33.772 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.365 -24.826 35.085 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -21.435 -25.602 24.528 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -21.149 -26.246 25.219 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -21.043 -24.746 24.828 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -20.539 -25.045 35.595 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -21.246 -24.896 36.256 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -20.269 -24.143 35.325 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -18.061 -27.248 19.213 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -18.389 -28.062 18.782 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -17.386 -27.570 19.843 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -20.103 -27.290 26.197 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -19.366 -27.455 25.579 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -19.691 -27.371 27.081 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.857 -25.312 25.245 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -17.381 -26.107 24.995 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -16.623 -24.901 24.383 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -20.310 -25.498 40.915 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.058 -24.873 40.198 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -19.550 -25.503 41.500 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -16.184 -22.393 38.800 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -17.096 -22.274 38.475 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -15.813 -23.085 38.216 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -19.827 -23.789 38.847 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -19.454 -22.947 38.503 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -20.708 -23.851 38.422 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -22.273 -24.304 37.631 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -23.106 -23.841 37.494 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -22.468 -24.939 38.365 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -20.516 -5.143 -5.840 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -19.869 -4.411 -5.724 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -21.284 -4.708 -6.254 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -21.043 -6.401 -3.432 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -22.024 -6.494 -3.448 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -20.837 -5.903 -4.249 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -23.092 -9.365 -4.599 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -23.973 -8.962 -4.707 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -22.496 -8.772 -5.107 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -21.708 -2.780 -6.839 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -21.641 -2.470 -7.751 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.810 -2.624 -6.463 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -24.601 -1.033 -2.546 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -24.556 -0.084 -2.766 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -24.067 -1.460 -3.244 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -21.350 -2.390 -2.071 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -21.585 -1.439 -1.954 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -22.212 -2.858 -2.047 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -27.829 -7.820 -5.054 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -27.605 -8.657 -4.577 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -28.799 -7.830 -5.101 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -23.427 -4.196 -1.672 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -22.841 -4.631 -1.027 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -23.599 -4.893 -2.344 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -25.131 -7.422 -5.312 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -26.097 -7.593 -5.235 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -25.014 -7.141 -6.226 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -21.899 0.284 -1.725 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -22.369 0.660 -0.943 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -22.358 0.687 -2.494 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -23.786 -6.485 -3.140 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -24.249 -6.746 -3.970 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -24.228 -7.017 -2.447 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -31.013 -1.121 -1.367 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -31.696 -0.448 -1.442 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -30.363 -0.878 -2.035 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -25.384 -5.370 2.916 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -24.855 -4.725 3.414 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -26.304 -5.173 3.181 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -30.476 -7.422 -4.025 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -31.327 -7.158 -4.394 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -30.062 -6.586 -3.750 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -28.218 -5.968 -3.022 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -28.261 -6.759 -2.449 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -27.840 -6.302 -3.858 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -25.982 -3.085 -1.324 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -25.803 -2.277 -1.842 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -25.162 -3.610 -1.417 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -29.071 -8.259 -1.682 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -29.645 -8.305 -2.471 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -29.564 -7.676 -1.060 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -24.304 -1.356 0.241 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -24.379 -1.261 -0.732 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -24.969 -2.027 0.463 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -21.121 -5.854 -0.788 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -21.014 -5.933 -1.761 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -21.236 -6.781 -0.487 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -22.655 -1.604 -4.525 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -21.900 -1.922 -3.999 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -22.541 -2.043 -5.395 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -30.050 -6.321 -0.038 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -29.576 -5.511 -0.318 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -29.841 -6.403 0.900 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -24.226 -7.640 3.754 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -24.671 -6.869 3.327 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -23.722 -7.242 4.495 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.251 -6.114 8.604 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -15.626 -6.345 9.464 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.760 -5.343 8.321 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -27.453 -4.236 4.352 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -28.050 -4.854 4.829 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -28.070 -3.674 3.827 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -29.605 -3.169 3.064 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -29.869 -3.040 2.133 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -30.447 -3.134 3.558 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -32.272 -3.335 3.868 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -32.340 -3.924 3.091 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -33.010 -2.726 3.769 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -30.504 -3.132 0.406 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -29.717 -3.484 -0.069 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -30.789 -2.367 -0.145 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -28.218 -8.120 6.058 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -27.710 -7.956 6.891 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -28.609 -7.242 5.841 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -30.635 -4.565 7.542 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -31.022 -3.684 7.485 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -30.636 -4.766 8.483 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -28.560 -10.595 7.263 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -29.000 -11.134 6.600 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -28.444 -9.727 6.827 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -24.811 -3.689 5.056 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -24.791 -3.567 6.010 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -25.770 -3.765 4.844 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -20.296 -3.566 2.587 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -20.965 -3.961 3.189 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.824 -2.992 1.987 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -29.440 -5.775 5.428 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -30.211 -5.941 4.844 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -29.830 -5.325 6.215 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -29.893 -8.762 3.779 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -29.356 -8.632 4.579 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -30.543 -8.035 3.807 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -31.591 -6.536 3.929 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -32.453 -6.491 4.360 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -31.687 -5.961 3.140 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -28.441 -4.226 -0.969 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -28.374 -4.735 -1.808 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -27.594 -3.726 -0.930 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -23.438 1.234 0.294 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -23.835 0.357 0.475 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -23.875 1.824 0.916 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -21.620 -2.083 0.697 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -22.549 -1.773 0.693 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -21.471 -2.402 -0.212 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -22.019 -4.577 4.513 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -22.810 -4.012 4.547 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -22.256 -5.349 5.074 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.691 -6.856 5.912 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -23.237 -7.298 6.597 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -21.908 -7.440 5.817 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -26.649 -7.874 8.231 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -26.660 -8.289 9.102 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -25.745 -8.041 7.897 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -22.696 -9.871 4.089 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -21.938 -9.373 4.465 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -23.338 -9.170 3.842 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -20.595 -8.513 5.263 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -19.932 -9.185 5.468 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -20.065 -7.699 5.076 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -27.269 -10.977 9.632 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -27.929 -11.461 10.135 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -27.688 -10.845 8.748 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -24.145 -8.737 7.349 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -23.969 -9.457 6.731 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -24.224 -9.187 8.225 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -32.069 -4.975 1.661 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -31.538 -4.275 1.210 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -32.242 -5.623 0.963 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -16.507 -29.419 1.425 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.384 -30.376 1.635 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -16.645 -28.999 2.304 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -1.301 -26.295 2.824 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -1.971 -26.412 3.509 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -0.629 -26.978 3.027 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -16.225 -31.956 2.270 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -15.500 -31.890 2.937 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -16.169 -32.893 1.957 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -18.715 -28.128 0.561 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -19.414 -28.642 0.992 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -17.901 -28.659 0.716 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -9.936 -30.409 2.463 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -9.678 -30.960 3.228 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -10.270 -31.055 1.803 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -13.322 -35.754 2.800 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -12.777 -35.281 3.453 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -13.036 -36.683 2.884 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -8.742 -41.326 4.638 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -8.117 -40.814 4.074 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -9.067 -42.019 4.058 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -19.369 -30.781 2.526 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -18.683 -31.220 2.005 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -19.802 -31.517 3.020 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -9.620 -28.220 0.836 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -9.522 -29.015 1.404 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -8.712 -28.035 0.525 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -6.893 -27.880 -0.086 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -6.066 -28.419 -0.118 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -6.972 -27.517 -0.996 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -9.981 -37.052 6.700 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -10.416 -37.867 6.363 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -10.558 -36.767 7.442 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -5.575 -36.162 9.951 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -4.979 -35.852 10.668 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -6.361 -36.502 10.422 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -11.884 -36.119 11.454 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -12.528 -35.404 11.680 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -12.338 -36.946 11.729 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -6.683 -32.833 9.379 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -7.209 -33.595 9.676 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -7.308 -32.079 9.428 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -14.822 -38.501 2.073 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -15.199 -37.748 2.545 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -13.935 -38.610 2.469 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.171 -34.812 9.413 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.281 -34.713 9.825 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.460 -33.900 9.238 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -8.642 -27.346 6.580 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -8.147 -26.755 7.183 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -8.347 -28.240 6.825 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -13.963 -39.940 7.029 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -14.685 -40.378 6.561 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -14.280 -39.887 7.959 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -18.635 -38.684 9.459 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -18.081 -39.200 10.071 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -18.855 -39.321 8.737 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.008 -39.643 9.513 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.696 -39.702 10.209 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -14.784 -38.680 9.479 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.907 -34.732 5.852 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -18.165 -34.782 5.236 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -18.793 -35.522 6.429 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -6.899 -34.075 6.906 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -6.853 -33.480 7.682 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -6.059 -34.582 6.951 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -5.410 -37.594 15.948 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -5.791 -37.676 16.846 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -6.046 -38.069 15.377 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -11.544 -36.236 8.755 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -11.509 -36.324 9.734 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -11.765 -35.288 8.610 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -6.981 -40.125 2.942 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -6.205 -40.357 2.427 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -6.954 -39.140 2.987 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -1.274 -34.678 12.797 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -0.522 -34.049 12.915 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -0.887 -35.557 13.033 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -7.708 -36.301 5.321 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -8.512 -36.599 5.797 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -7.437 -35.495 5.793 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -4.653 -35.451 7.524 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -4.315 -36.243 7.093 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -5.013 -35.780 8.387 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -9.528 -33.640 6.463 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -8.571 -33.845 6.570 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -9.869 -33.619 7.369 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -15.038 -36.377 12.808 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -14.929 -35.805 12.013 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -14.927 -35.756 13.565 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -16.723 -27.859 13.588 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -15.914 -27.309 13.490 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -16.546 -28.637 13.048 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -0.108 -30.179 1.933 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 0.058 -29.476 2.597 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 0.420 -30.947 2.260 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.801 -36.921 15.609 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.458 -37.205 14.735 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -18.052 -37.071 16.216 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.710 -34.256 12.581 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -19.679 -33.669 11.787 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.464 -35.137 12.231 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -11.199 -32.638 13.308 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -11.988 -33.050 12.884 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -10.543 -32.591 12.593 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -10.923 -35.047 4.429 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -10.749 -35.915 4.817 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -10.465 -34.424 5.027 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -12.449 -40.279 10.288 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -12.497 -39.505 10.880 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -13.337 -40.321 9.885 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -18.901 -40.141 7.164 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -19.409 -40.553 6.462 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -18.176 -39.671 6.693 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -6.708 -37.429 3.058 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -7.063 -37.111 3.921 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -6.661 -36.638 2.518 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -13.245 -38.388 12.201 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -13.632 -39.196 12.588 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -13.926 -37.698 12.369 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -10.216 -40.002 14.117 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -10.608 -39.338 13.537 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -10.335 -40.849 13.624 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -9.863 -41.047 9.785 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -10.796 -40.749 9.841 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -9.656 -41.006 8.829 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -17.014 -38.544 6.005 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -16.142 -38.225 5.703 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -17.372 -37.798 6.530 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -14.141 -37.105 9.280 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -14.376 -36.279 9.763 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -13.277 -36.906 8.876 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -11.439 -39.281 6.107 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -12.282 -39.601 6.496 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -10.758 -39.880 6.483 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.384 -37.270 16.958 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -15.586 -37.188 16.411 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.416 -36.422 17.460 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -7.957 -36.893 11.145 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -8.034 -37.814 11.427 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -8.439 -36.388 11.841 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -10.757 -41.869 12.248 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -11.619 -42.014 11.844 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -10.161 -41.717 11.485 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -3.848 -33.378 9.317 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -3.911 -33.975 8.546 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -4.753 -33.015 9.409 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -5.550 -31.913 13.900 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -6.459 -32.140 13.679 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -5.541 -31.890 14.895 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -14.948 -39.832 13.822 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.554 -39.103 14.340 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.442 -40.344 14.479 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -10.655 -35.466 15.235 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -10.267 -35.441 14.333 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -10.715 -34.520 15.494 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -7.891 -30.059 6.743 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -7.064 -30.251 6.286 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -8.589 -30.372 6.120 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -8.749 -35.057 9.215 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -9.112 -35.547 8.459 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -8.377 -35.756 9.794 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -15.772 -34.561 1.889 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.940 -35.035 2.078 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -16.270 -35.169 1.297 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -9.313 -33.080 11.071 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -9.216 -32.263 10.539 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -9.257 -33.801 10.408 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -8.259 -32.359 0.149 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -7.682 -31.771 0.686 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -7.936 -33.243 0.339 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 0.720 -28.090 3.569 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 1.448 -27.498 3.299 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 1.021 -28.457 4.428 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -6.625 -30.767 1.639 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -6.693 -29.875 1.271 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -5.694 -30.858 1.869 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -9.808 -31.269 5.182 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -10.774 -31.303 4.952 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -9.639 -32.138 5.608 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -9.222 -40.505 7.163 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -9.019 -40.913 6.285 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -8.474 -39.922 7.329 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -13.774 -38.399 15.955 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -12.866 -38.739 16.141 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.367 -39.074 16.350 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -17.182 -31.758 4.900 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.203 -31.824 4.914 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -17.411 -31.924 3.970 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -19.018 -32.849 7.924 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -19.019 -33.560 7.251 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.133 -32.027 7.400 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -10.931 -31.816 0.319 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -11.221 -32.638 0.782 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -10.011 -32.016 0.034 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -2.070 -29.262 0.193 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -1.492 -28.718 -0.381 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -1.450 -29.675 0.832 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -16.284 -34.671 17.813 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.000 -34.012 17.923 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.679 -34.253 17.173 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -11.324 -34.057 1.811 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.117 -34.607 1.698 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -10.988 -34.306 2.692 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -10.976 -32.834 16.011 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -11.110 -32.643 15.050 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -10.477 -32.073 16.335 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -8.885 -31.082 9.148 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -9.776 -30.680 9.136 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -8.432 -30.671 8.381 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -3.752 -34.939 11.619 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -3.662 -34.350 10.843 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -2.840 -35.016 11.969 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.857 -39.966 16.744 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.287 -39.091 16.873 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -16.268 -40.532 17.404 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.418 -37.595 5.680 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.163 -38.247 6.364 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.359 -36.723 6.143 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -11.264 -39.257 16.548 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -10.937 -39.743 15.761 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -10.538 -38.637 16.762 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -12.651 -38.304 3.756 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -11.976 -38.776 4.280 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -13.320 -38.032 4.424 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -9.316 -37.317 16.715 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -9.170 -36.844 17.565 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -9.757 -36.648 16.142 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -9.619 -35.350 12.669 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -10.457 -35.629 12.230 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -9.453 -34.453 12.315 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -7.794 -38.875 15.014 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -8.327 -38.249 15.543 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -8.452 -39.497 14.650 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -20.145 -32.694 4.325 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -20.053 -32.078 5.072 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.928 -33.565 4.709 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -18.967 -26.585 6.089 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -19.385 -27.210 5.462 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -18.854 -27.102 6.898 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 1.171 -31.355 8.372 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 0.386 -31.610 8.900 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 1.142 -30.379 8.353 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -18.793 -36.371 11.022 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.239 -35.807 10.440 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -18.939 -37.186 10.495 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -3.284 -35.937 16.482 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -3.290 -35.163 15.889 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -4.059 -36.474 16.188 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -17.537 -37.415 13.203 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -18.043 -36.964 12.492 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -16.629 -37.048 13.119 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.667 -34.336 14.611 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.708 -33.592 15.244 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.159 -33.981 13.853 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -19.313 -30.754 6.180 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -19.554 -29.942 5.694 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.465 -31.043 5.761 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.483 -29.151 4.358 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.402 -28.869 4.182 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.517 -30.135 4.309 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -6.601 -36.730 26.043 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -7.503 -36.935 25.772 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -6.248 -36.179 25.302 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -2.679 -31.382 26.066 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -2.663 -32.282 26.464 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -3.217 -31.493 25.252 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -16.258 -31.163 29.973 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -15.995 -32.087 30.012 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.425 -30.687 29.754 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -11.473 -32.698 31.534 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -11.800 -32.232 32.329 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -11.546 -32.035 30.821 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -7.502 -31.408 24.445 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -7.094 -32.000 23.768 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -7.098 -30.548 24.278 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -3.127 -29.899 28.424 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -3.089 -30.160 27.482 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -2.824 -30.705 28.904 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -7.058 -34.302 20.642 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -6.771 -33.740 21.394 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -6.616 -33.901 19.865 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -2.982 -35.600 24.502 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -2.633 -35.349 23.626 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -3.948 -35.438 24.427 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -13.758 -30.054 29.450 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.748 -29.088 29.437 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.829 -30.301 29.651 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -6.662 -36.671 22.036 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -6.941 -35.947 21.441 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -6.087 -37.231 21.478 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -12.087 -27.307 35.074 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -11.896 -28.138 35.557 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.063 -27.571 34.132 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -15.094 -26.979 28.833 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -14.587 -27.024 29.670 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -15.756 -26.278 28.994 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -2.196 -28.630 30.714 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -2.569 -28.978 29.874 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -2.981 -28.479 31.280 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -11.721 -31.069 33.752 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -10.808 -30.825 33.504 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -11.800 -30.779 34.682 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -6.833 -37.961 18.250 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -7.421 -37.269 18.633 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -7.442 -38.563 17.800 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -5.328 -26.700 34.788 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -5.597 -26.521 35.714 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -5.267 -25.809 34.383 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.267 -37.272 19.097 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -11.420 -38.202 18.895 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -11.836 -36.792 18.461 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -5.248 -34.991 27.684 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -5.447 -34.185 27.159 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -5.718 -35.707 27.206 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -3.126 -38.387 24.210 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -3.084 -37.433 24.413 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -3.668 -38.761 24.938 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -8.702 -36.212 19.183 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -8.438 -35.451 19.735 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -9.605 -36.439 19.498 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -8.872 -33.241 32.050 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -8.608 -34.186 31.942 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -9.840 -33.239 31.857 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -1.116 -39.725 19.552 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -1.867 -39.830 20.173 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -0.750 -38.862 19.774 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -5.654 -35.205 24.027 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -5.746 -34.289 23.667 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -6.010 -35.782 23.307 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -9.059 -31.850 26.752 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -9.750 -31.168 26.895 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -8.822 -31.762 25.810 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -16.199 -28.681 26.914 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -15.600 -28.202 27.520 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.090 -28.439 27.226 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -11.049 -30.571 29.769 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -10.894 -30.189 28.871 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -10.150 -30.728 30.115 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -8.070 -35.801 31.719 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -7.204 -35.708 31.259 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -8.310 -36.719 31.585 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -8.344 -31.006 30.533 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -8.389 -31.855 31.031 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -7.717 -31.190 29.803 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.943 -26.987 31.282 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -18.726 -26.737 31.833 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -18.101 -27.932 31.055 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.733 -33.583 18.031 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -12.768 -34.532 17.778 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -11.975 -33.231 17.518 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -14.746 -33.339 19.891 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.875 -33.358 19.442 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.220 -34.098 19.516 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -16.187 -28.739 20.737 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -16.166 -29.494 20.103 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.166 -29.161 21.605 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -18.102 -24.979 36.966 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -18.894 -25.263 36.467 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -18.463 -24.653 37.813 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -18.370 -29.528 30.353 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -17.562 -30.079 30.190 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -19.042 -30.168 30.608 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -9.498 -29.636 32.571 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -9.057 -30.073 31.808 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -8.768 -29.193 33.044 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -14.853 -32.471 16.729 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -15.229 -31.766 17.277 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -14.026 -32.723 17.194 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.656 -36.121 16.984 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -12.011 -35.897 16.277 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -13.225 -36.805 16.577 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -5.729 -35.491 30.365 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -5.626 -35.367 29.397 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -5.009 -34.979 30.745 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -3.860 -35.415 19.188 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -3.478 -35.650 18.314 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -4.419 -34.628 18.999 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -18.020 -27.673 24.418 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -18.680 -27.684 23.689 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -17.458 -28.444 24.244 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -15.563 -29.479 24.387 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.826 -29.281 25.321 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.944 -30.219 24.472 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -1.864 -32.040 29.476 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -1.663 -32.787 28.897 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -1.056 -31.926 30.013 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -2.902 -34.841 21.751 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -3.261 -35.113 20.879 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -3.521 -34.169 22.062 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -5.625 -32.784 26.066 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -6.420 -32.439 25.619 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -4.934 -32.770 25.364 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -6.840 -31.516 28.221 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -6.127 -31.975 27.733 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -7.670 -31.898 27.845 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -4.919 -37.759 20.180 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -5.543 -38.016 19.466 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -4.493 -36.941 19.842 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -2.943 -39.122 21.521 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -3.724 -38.707 21.091 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -3.121 -39.026 22.483 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -4.786 -38.781 26.403 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -5.434 -38.054 26.299 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -4.995 -39.164 27.258 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -12.043 -28.618 32.607 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -11.104 -28.813 32.389 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -12.407 -29.490 32.861 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -8.679 -29.716 35.610 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -8.153 -29.182 34.977 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -8.548 -30.647 35.303 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.851 -25.025 29.730 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -17.306 -25.668 30.317 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.484 -24.359 30.349 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.671 -27.046 31.141 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -13.206 -26.193 31.286 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -13.116 -27.705 31.622 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -13.023 -30.302 26.032 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -13.491 -30.580 26.830 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -12.141 -30.031 26.355 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -13.333 -25.947 18.732 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -13.235 -24.983 18.924 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -12.793 -26.085 17.935 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -16.140 -31.089 19.272 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -16.903 -31.537 18.859 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -15.617 -31.824 19.668 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -4.289 -28.062 32.472 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -4.934 -28.783 32.460 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -4.481 -27.586 33.306 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -6.360 -25.772 37.258 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -5.667 -26.087 37.887 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -7.083 -25.453 37.837 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -8.392 -32.186 34.531 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -8.525 -32.436 33.588 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -8.243 -33.025 34.976 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -4.315 -26.613 38.829 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -4.216 -27.223 39.565 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -3.403 -26.523 38.470 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -11.068 -25.873 38.042 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -10.550 -26.711 38.003 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -11.590 -25.884 37.226 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -9.254 -27.881 37.571 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -8.405 -27.477 37.787 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -9.032 -28.556 36.893 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -14.462 -25.987 35.209 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -13.619 -26.486 35.199 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -14.916 -26.268 34.388 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -8.715 -14.855 -2.392 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -8.491 -14.188 -1.737 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -9.640 -15.120 -2.158 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -8.317 -18.076 -5.236 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -8.797 -17.748 -6.018 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -8.800 -18.890 -4.987 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -14.359 -15.314 -6.299 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -14.935 -15.923 -5.780 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -13.480 -15.746 -6.283 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -4.013 -15.365 -6.174 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -4.146 -15.914 -6.967 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -3.102 -15.022 -6.279 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -12.464 -14.298 -9.540 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -11.532 -14.597 -9.522 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -12.920 -14.905 -8.943 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -1.419 -26.542 -4.156 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -2.393 -26.496 -4.025 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -1.115 -27.141 -3.461 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -9.770 -20.345 -4.579 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -10.742 -20.313 -4.678 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -9.576 -21.290 -4.415 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -11.754 -16.364 -6.106 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -11.276 -17.078 -6.581 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -11.034 -15.788 -5.758 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -4.140 -26.268 -3.696 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -4.855 -26.748 -3.247 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -4.494 -25.379 -3.821 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -9.771 -14.826 -9.193 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -9.926 -14.054 -8.602 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -8.812 -14.941 -9.183 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -10.324 -11.833 -15.759 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -10.589 -12.651 -16.192 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -11.028 -11.210 -15.974 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -9.801 -14.803 -5.000 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -9.365 -13.940 -5.117 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -9.500 -15.098 -4.121 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -12.638 -20.397 -4.778 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -13.026 -20.552 -5.648 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -12.504 -21.300 -4.407 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -13.142 -16.497 -3.724 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -13.635 -17.340 -3.636 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -12.632 -16.603 -4.556 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -12.482 -11.588 -9.458 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -12.060 -11.142 -10.236 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -12.505 -12.543 -9.711 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -16.027 -16.794 -4.687 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -16.977 -16.656 -4.518 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.804 -17.599 -4.182 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -18.075 -12.938 -4.450 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -18.227 -13.903 -4.515 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -17.206 -12.804 -4.893 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -11.094 -10.189 -11.359 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -11.478 -9.369 -11.692 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -10.152 -10.133 -11.620 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -13.955 -7.862 -9.652 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -14.452 -7.024 -9.623 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -14.502 -8.482 -9.129 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -8.026 -11.148 -14.492 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -7.850 -11.972 -14.023 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -8.871 -11.321 -14.972 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -11.281 -15.513 -1.933 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -11.323 -16.268 -1.302 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -11.947 -15.738 -2.612 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -6.752 -26.855 -2.631 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -7.314 -27.188 -3.338 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -6.732 -25.882 -2.778 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -9.160 -23.100 -3.696 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -9.339 -23.381 -2.775 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -8.253 -23.424 -3.868 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -5.417 -19.517 -3.973 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -5.925 -19.427 -3.143 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -6.051 -19.281 -4.665 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -10.134 -18.196 -7.397 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -9.903 -19.126 -7.486 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -10.284 -17.896 -8.325 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -10.574 -17.385 -9.927 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -11.020 -17.419 -10.779 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -10.305 -16.447 -9.830 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -14.602 -18.916 -3.428 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -13.899 -19.445 -3.861 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.876 -19.458 -2.673 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -11.394 -17.966 -0.735 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -10.652 -18.477 -1.102 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -12.071 -18.636 -0.530 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -5.941 -20.955 0.028 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -5.927 -20.664 0.955 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -6.146 -20.143 -0.479 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -11.702 -9.522 -7.756 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -11.521 -8.779 -8.369 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -12.155 -10.187 -8.316 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -10.340 -12.495 -7.867 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -9.676 -11.770 -7.875 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -11.074 -12.154 -8.416 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -11.263 -7.420 -9.568 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -12.224 -7.563 -9.745 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -10.869 -7.297 -10.470 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -14.731 -14.520 -2.647 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -14.176 -15.275 -2.954 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -15.633 -14.785 -2.871 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -11.924 -22.730 -3.638 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -12.387 -23.484 -3.203 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -11.021 -23.071 -3.805 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -5.810 -25.398 0.589 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -4.881 -25.622 0.712 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -6.253 -26.262 0.484 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -6.616 -24.159 -3.153 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -6.768 -23.871 -2.225 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -5.949 -23.512 -3.495 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -19.606 -13.572 2.295 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -20.282 -14.220 2.023 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -18.761 -14.045 2.179 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -13.894 -12.866 -0.513 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -14.195 -13.493 -1.207 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -14.471 -13.065 0.256 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -16.851 -23.876 2.826 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -16.828 -24.495 3.588 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -16.014 -24.043 2.359 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -15.662 -21.175 -0.904 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -16.451 -21.046 -0.362 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -15.586 -22.152 -0.988 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -9.283 -19.539 -1.967 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -9.366 -19.618 -2.939 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -9.875 -20.242 -1.621 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -12.964 -24.728 -2.064 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -12.575 -24.612 -1.181 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -12.798 -25.677 -2.273 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -7.031 -16.754 -3.264 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -7.512 -17.153 -4.030 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -7.637 -16.044 -2.945 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -11.187 -21.300 -1.344 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -11.937 -20.865 -0.876 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -11.604 -21.727 -2.118 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -12.174 -27.363 -2.209 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -12.199 -28.000 -1.466 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -12.053 -27.914 -2.988 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -11.603 -24.778 0.535 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -10.859 -24.431 -0.015 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -11.397 -25.722 0.643 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -9.736 -23.568 -1.001 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -8.781 -23.475 -0.764 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -10.092 -22.655 -0.933 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -7.092 -23.332 -0.604 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -6.593 -24.019 -0.098 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -6.603 -22.494 -0.419 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -13.273 -20.107 -0.134 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -13.288 -20.391 0.808 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -14.138 -20.418 -0.488 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -12.010 -29.309 -0.178 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -11.821 -30.272 -0.078 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -11.193 -28.874 0.145 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -4.427 -16.370 -3.714 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -5.403 -16.471 -3.618 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -4.309 -16.056 -4.640 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -4.791 -22.269 -3.701 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -4.912 -21.314 -3.865 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -3.817 -22.383 -3.652 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -0.159 -27.940 -1.359 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 0.176 -27.081 -1.059 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 0.535 -28.571 -1.087 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -6.705 -18.842 -1.595 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -6.768 -17.964 -2.031 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -7.640 -19.162 -1.572 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -3.305 -9.593 -9.088 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -3.762 -8.845 -9.522 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -2.445 -9.218 -8.808 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -15.423 -9.425 -7.861 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -16.218 -9.345 -7.281 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -15.374 -10.384 -8.066 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -17.530 -9.232 -6.175 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -17.621 -8.436 -5.636 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -18.305 -9.781 -5.928 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -15.045 -12.103 -8.470 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -15.433 -12.713 -9.111 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -14.154 -11.910 -8.832 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -4.207 -10.044 -13.264 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -3.732 -10.883 -13.240 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -4.694 -10.065 -14.125 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -15.373 -23.918 -0.884 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -14.698 -24.208 -1.531 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -15.919 -24.728 -0.727 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -14.578 -28.263 -0.084 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -13.782 -28.821 -0.224 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -15.215 -28.861 0.369 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -4.697 -29.402 -0.387 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -4.606 -29.948 -1.172 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -3.768 -29.286 -0.068 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -14.171 -20.585 7.445 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -14.601 -20.781 8.289 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -13.223 -20.596 7.651 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.825 -14.404 11.538 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -14.287 -15.137 12.004 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -13.039 -14.230 12.090 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -17.099 -14.697 2.600 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -17.278 -15.638 2.394 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -17.092 -14.666 3.582 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -16.061 -19.027 17.601 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -15.325 -19.389 18.154 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -16.055 -18.070 17.802 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -14.543 -14.013 17.638 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -14.377 -13.088 17.389 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -13.654 -14.401 17.719 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -16.627 -19.506 2.079 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -15.774 -19.222 1.733 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -17.089 -18.668 2.295 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -17.127 -18.944 14.991 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -17.938 -19.312 15.382 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -16.499 -18.916 15.739 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -15.620 -14.547 9.353 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -15.175 -14.404 10.215 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -14.879 -14.654 8.721 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -8.206 -9.368 4.519 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -8.089 -10.087 3.853 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -7.683 -9.668 5.288 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -14.589 -14.167 5.530 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -14.214 -14.318 6.427 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -15.450 -14.641 5.545 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -15.269 -16.335 12.879 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -15.273 -16.382 13.842 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -15.874 -17.051 12.603 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -11.098 -22.494 2.565 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -11.272 -23.224 1.953 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -11.897 -21.931 2.497 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -19.613 -23.581 1.770 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -18.737 -23.638 2.195 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -19.578 -24.255 1.062 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -13.594 -21.300 2.326 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -13.803 -20.824 3.171 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -14.109 -22.122 2.384 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -18.653 -19.983 17.127 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -17.743 -19.845 17.470 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -18.904 -20.867 17.458 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -9.493 -11.498 6.604 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -9.493 -12.435 6.935 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -8.582 -11.188 6.767 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -20.586 -18.107 1.696 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -21.229 -18.121 2.430 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -20.429 -19.053 1.507 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -13.451 -9.181 4.526 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -14.212 -9.708 4.254 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -13.790 -8.635 5.266 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -17.464 -16.796 9.814 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -17.051 -17.169 10.608 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -16.886 -16.047 9.573 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -9.623 -15.380 4.408 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -9.857 -16.294 4.170 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -10.169 -15.194 5.208 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -18.012 -21.418 3.527 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -17.416 -20.745 3.124 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -17.555 -22.269 3.361 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -14.133 -24.163 1.554 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -13.206 -24.306 1.269 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -14.613 -23.973 0.718 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -17.222 -14.777 5.344 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -17.962 -15.423 5.353 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -17.415 -14.182 6.102 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -17.978 -14.932 19.226 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -18.800 -15.407 18.995 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -17.266 -15.546 18.972 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -15.787 -18.159 20.766 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -15.037 -18.673 20.371 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -16.013 -17.507 20.077 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -14.007 -20.110 4.719 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -14.295 -20.424 5.602 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -13.559 -19.279 4.901 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -18.369 -11.765 3.965 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -18.682 -12.377 3.260 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -19.142 -11.700 4.574 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -20.820 -11.713 5.125 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -21.521 -11.157 4.744 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -21.205 -12.616 5.123 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -1.153 -22.699 -0.949 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -0.527 -22.094 -0.513 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -1.077 -23.527 -0.435 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -17.609 -20.498 10.402 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -16.859 -21.109 10.278 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -17.299 -19.879 11.086 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -0.151 -24.685 0.875 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 0.493 -25.378 0.603 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -0.695 -25.125 1.566 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 3.133 -26.752 4.147 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 2.764 -27.314 4.862 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 3.519 -25.980 4.624 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -16.656 -25.603 4.973 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -16.064 -25.380 5.708 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -17.520 -25.777 5.405 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -18.772 -25.876 13.985 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -18.213 -26.627 13.710 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -19.690 -26.190 13.842 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -15.581 -16.394 18.568 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -14.693 -16.748 18.812 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -15.390 -15.491 18.219 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -13.384 -11.511 13.086 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -12.737 -12.240 13.215 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -14.209 -11.964 12.879 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -11.620 -13.551 13.338 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -11.621 -13.557 14.326 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -10.688 -13.381 13.102 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -17.286 -13.144 7.562 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -18.078 -12.946 8.072 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -16.691 -13.590 8.204 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -13.264 -14.395 7.921 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -12.442 -14.698 7.446 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -12.951 -14.180 8.809 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -17.001 -28.156 3.804 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -16.819 -27.233 4.078 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -17.940 -28.295 4.040 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -13.402 -26.884 1.961 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -13.857 -27.307 1.202 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -13.802 -25.997 2.013 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -0.761 -10.361 -1.651 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 0.130 -10.049 -1.399 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -0.597 -11.233 -2.082 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -14.575 -21.027 31.421 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -14.705 -20.655 30.513 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -15.031 -21.892 31.394 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -4.421 -17.627 26.458 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -3.961 -17.531 25.608 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.184 -17.022 26.389 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -12.372 -20.678 33.020 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -11.713 -21.196 32.510 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -13.169 -20.665 32.441 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -19.241 -21.737 22.452 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -19.431 -21.500 23.380 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -18.529 -21.117 22.192 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -16.459 -18.914 24.816 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -16.736 -19.211 23.926 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -16.846 -18.018 24.902 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -6.722 -16.125 26.742 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -6.965 -15.246 27.111 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -7.109 -16.757 27.362 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -15.253 -20.677 26.424 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -15.058 -21.377 25.763 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -15.603 -19.929 25.878 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -14.643 -17.035 32.559 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -14.330 -16.369 33.184 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -13.922 -17.099 31.896 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -15.135 -16.067 22.453 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -15.392 -16.881 21.970 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -14.545 -16.389 23.166 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -5.147 -16.597 30.786 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -5.889 -16.703 31.410 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -4.788 -15.710 30.992 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -6.706 -14.746 24.383 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -6.387 -15.349 23.667 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -6.761 -15.324 25.174 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -5.755 -20.233 31.318 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -5.349 -19.461 30.900 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -5.332 -20.998 30.867 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.083 -16.267 32.730 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.502 -16.083 33.495 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -7.254 -15.386 32.343 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -12.069 -12.356 33.452 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -11.803 -11.524 33.850 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -11.698 -13.040 34.049 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -16.395 -21.864 34.326 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -16.582 -21.326 35.124 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -16.698 -21.301 33.583 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -7.630 -13.581 27.258 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -7.448 -13.237 26.374 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -8.615 -13.671 27.282 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -17.714 -16.464 25.127 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -17.794 -16.034 25.984 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -17.539 -15.718 24.498 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -2.448 -14.567 29.555 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -3.027 -14.373 30.318 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -2.596 -15.521 29.377 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.303 -13.062 36.130 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -7.285 -13.979 36.439 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.841 -12.598 36.796 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -8.169 -12.627 23.502 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -7.609 -13.352 23.858 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -9.086 -12.911 23.710 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -10.780 -13.351 24.113 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -11.360 -13.607 23.385 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -11.212 -12.550 24.496 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -6.539 -12.929 21.234 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -7.205 -13.228 20.587 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -7.065 -12.691 22.025 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -9.504 -10.305 22.447 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -8.948 -10.862 23.020 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -9.450 -10.739 21.570 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -15.092 -16.174 35.391 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -15.817 -15.541 35.411 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -15.510 -17.006 35.096 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -13.895 -22.927 34.025 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -14.804 -22.606 34.228 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -13.408 -22.121 33.781 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -15.948 -24.509 22.796 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -16.856 -24.683 22.453 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -15.371 -25.053 22.213 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -18.388 -25.396 22.033 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -19.077 -24.715 21.911 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -18.890 -26.206 22.240 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -16.944 -19.967 36.241 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -16.178 -19.889 36.859 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -16.786 -19.264 35.575 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -17.138 -20.316 32.212 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -17.687 -20.500 31.411 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -16.219 -20.330 31.877 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -5.901 -13.474 33.790 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -6.376 -13.062 34.548 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -5.533 -14.303 34.168 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -9.810 -15.238 32.419 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -9.098 -14.638 32.091 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -9.372 -16.102 32.503 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -10.282 -13.970 26.883 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -10.638 -13.982 25.977 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -11.058 -14.171 27.451 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -4.545 -13.949 31.329 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -5.119 -13.453 30.706 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -4.833 -13.647 32.214 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -15.712 -23.580 31.899 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -14.883 -23.756 32.383 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -16.379 -23.479 32.605 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -13.237 -15.088 20.687 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -13.952 -15.192 21.347 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -13.171 -15.977 20.266 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -3.536 -13.680 27.156 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -3.862 -12.861 27.574 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -3.017 -14.116 27.863 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -20.173 -15.993 21.724 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -20.339 -16.094 20.767 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -19.777 -15.104 21.804 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -3.061 -13.930 35.852 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -3.977 -13.878 36.139 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -2.875 -14.891 35.821 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -16.402 -18.380 34.060 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -15.758 -17.932 33.459 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -16.866 -19.013 33.475 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -12.137 -18.680 35.206 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -11.444 -18.378 34.593 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -12.496 -19.474 34.781 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.244 -19.801 32.746 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -7.646 -19.883 31.983 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -7.752 -20.218 33.474 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -18.583 -21.828 37.398 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -18.888 -22.209 36.548 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -18.110 -21.009 37.133 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -10.639 -18.438 32.861 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -9.751 -18.865 32.843 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -11.264 -19.188 32.841 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -5.989 -20.775 34.060 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -5.419 -21.440 34.472 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -5.659 -20.709 33.138 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -12.020 -12.077 19.989 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -12.459 -11.267 19.677 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -12.748 -12.685 20.186 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -12.033 -15.144 18.087 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -12.061 -14.771 18.988 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -12.271 -16.090 18.217 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -2.763 -11.424 24.899 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -3.226 -12.266 24.683 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -2.114 -11.678 25.592 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -6.758 -14.257 39.010 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -7.375 -13.501 38.930 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -5.934 -13.862 39.306 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -3.304 -17.093 28.856 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -3.722 -17.331 27.995 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -4.057 -17.054 29.486 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -15.163 -19.929 29.022 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -15.118 -20.257 28.094 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -15.387 -18.998 28.931 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -18.506 -20.946 29.944 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -18.151 -20.978 29.029 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -19.450 -21.085 29.833 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 0.066 -25.727 33.675 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 0.576 -26.567 33.669 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 0.364 -25.280 34.489 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -17.842 -21.253 27.272 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -17.884 -22.239 27.265 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -16.925 -21.052 26.994 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -2.071 -25.773 32.058 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -1.361 -25.782 32.740 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -2.527 -26.620 32.178 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -14.794 -26.320 21.040 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -14.286 -26.228 20.204 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -15.311 -27.140 20.914 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -4.119 -13.741 24.509 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -5.038 -14.068 24.440 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -3.879 -13.901 25.452 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -17.944 -23.957 27.331 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -17.514 -24.468 26.606 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -17.605 -24.372 28.149 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -11.972 -14.066 31.303 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -12.245 -13.344 31.911 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -11.130 -14.389 31.687 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -6.237 -12.710 29.502 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -5.570 -12.107 29.102 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -6.757 -13.034 28.733 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -7.655 -13.745 31.702 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -7.321 -13.287 30.900 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -7.107 -13.383 32.431 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -12.347 -14.624 28.659 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -12.208 -14.204 29.535 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -12.773 -15.462 28.869 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -12.318 -16.865 31.172 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -11.632 -17.298 31.718 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -12.074 -15.921 31.184 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -17.251 -27.769 16.311 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -17.089 -27.935 15.361 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -17.689 -28.570 16.622 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -17.202 -14.494 23.392 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -17.726 -14.080 22.676 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -16.454 -14.924 22.925 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -5.483 -16.462 22.697 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -5.504 -16.885 21.815 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -4.598 -16.677 23.046 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -15.457 -24.156 36.863 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -16.370 -24.499 36.968 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -15.021 -24.819 36.276 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -15.741 -26.573 32.866 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -16.553 -26.786 32.359 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -15.012 -26.804 32.253 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -18.836 -13.561 21.353 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -19.047 -12.677 21.041 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -18.451 -14.012 20.560 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -7.401 -28.190 33.721 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -6.662 -27.727 34.174 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -7.586 -27.630 32.934 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -9.705 -20.101 38.937 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -9.161 -19.663 38.236 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -10.396 -19.427 39.153 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -8.211 -22.323 37.694 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -8.474 -21.643 38.339 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -8.326 -23.169 38.172 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -8.291 -16.122 37.784 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -9.130 -15.629 37.832 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -7.672 -15.599 38.337 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -1.636 -26.828 38.122 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -1.446 -27.439 37.404 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -0.757 -26.485 38.384 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -13.452 -19.208 41.202 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -14.295 -18.945 41.587 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -12.936 -19.562 41.968 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.396 -15.920 34.908 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.951 -16.685 35.176 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -4.479 -16.201 35.143 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -8.546 -24.859 38.777 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -8.562 -24.574 39.720 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -9.467 -25.138 38.595 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -8.037 -19.879 42.578 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -8.784 -20.294 42.090 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -8.459 -19.447 43.331 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -22.766 -25.836 39.812 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -23.317 -26.339 40.417 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -21.886 -25.806 40.257 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -12.346 -22.217 45.176 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -12.733 -21.755 45.927 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -12.453 -23.149 45.389 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -9.986 -21.378 41.363 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -9.936 -20.965 40.471 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -9.629 -22.279 41.230 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -11.989 -20.469 43.088 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -11.269 -20.842 42.540 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -12.094 -21.116 43.819 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -11.658 -18.236 39.354 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -12.339 -18.472 40.018 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -12.132 -17.704 38.706 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -5.477 -22.928 37.023 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -5.629 -23.887 37.034 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.368 -22.544 37.140 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -3.922 -21.016 42.533 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -3.449 -20.748 43.329 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -4.406 -20.199 42.253 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -2.719 -22.206 40.348 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -3.126 -21.718 41.097 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -3.005 -23.117 40.478 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -14.928 -20.153 38.003 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -15.401 -20.891 38.454 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -14.089 -20.080 38.488 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -8.826 -12.522 38.440 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -9.491 -13.225 38.253 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -9.342 -11.807 38.827 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -10.996 -14.458 34.857 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -11.536 -15.200 35.200 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -10.533 -14.835 34.079 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -10.577 -14.484 37.570 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -11.290 -15.146 37.650 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -10.590 -14.240 36.620 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -5.550 -18.997 41.814 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -6.480 -19.205 42.052 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -5.625 -18.445 41.028 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -6.478 -22.190 42.153 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -5.535 -21.972 42.276 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -6.943 -21.355 42.356 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -12.225 -23.856 39.711 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -13.016 -24.310 40.016 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -11.781 -24.508 39.136 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -12.540 -16.293 36.429 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -13.470 -16.155 36.145 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -12.341 -17.217 36.147 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -6.822 -18.257 34.796 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -6.402 -19.132 34.647 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -7.169 -18.007 33.920 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -12.719 -21.153 39.342 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -12.906 -20.610 40.136 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -12.517 -22.045 39.702 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -2.910 -16.738 35.640 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.209 -16.777 34.946 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -2.785 -17.572 36.149 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -2.265 -19.211 36.822 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -2.750 -20.032 37.042 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.339 -19.433 36.997 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -8.448 -18.712 36.977 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -8.430 -17.798 37.340 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -7.881 -18.658 36.184 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.001 -21.807 37.600 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -2.942 -21.883 38.575 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.870 -22.212 37.380 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 1.069 -26.208 38.557 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 1.340 -25.326 38.899 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 1.727 -26.828 38.945 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -11.341 -29.715 36.154 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -10.386 -29.734 35.920 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -11.346 -29.710 37.119 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -8.507 -23.757 41.284 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -8.708 -24.211 42.110 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -7.680 -23.250 41.484 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -14.928 -2.720 -4.214 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -14.301 -3.315 -3.756 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -15.151 -2.046 -3.538 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -0.620 -6.949 -1.182 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -0.630 -6.706 -2.117 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 0.010 -7.681 -1.133 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -10.166 -1.794 -8.597 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -11.035 -2.193 -8.367 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -10.393 -1.030 -9.134 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -4.353 -7.359 -10.364 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -3.623 -6.905 -9.876 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -4.108 -7.249 -11.318 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -3.532 -7.161 -3.065 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -3.073 -6.319 -2.865 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -2.803 -7.781 -3.292 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -14.554 -6.351 -4.384 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -15.473 -6.277 -4.697 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -14.114 -6.905 -5.064 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -17.072 1.064 -2.803 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -16.714 1.875 -2.402 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -17.797 1.373 -3.356 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -0.696 -8.734 -8.616 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -0.120 -9.445 -8.983 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -0.059 -8.127 -8.156 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -14.945 -5.386 -8.748 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -15.309 -4.749 -8.094 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -14.002 -5.468 -8.498 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -15.655 3.120 -1.418 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -16.575 3.420 -1.204 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -15.124 3.923 -1.343 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -12.442 -5.663 -7.665 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -11.769 -6.124 -8.202 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -12.786 -6.358 -7.066 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -7.775 -2.882 -3.542 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -8.483 -2.375 -4.001 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -6.964 -2.357 -3.701 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -17.171 -1.489 -6.683 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -16.417 -0.885 -6.530 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -16.752 -2.323 -6.954 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -9.859 1.081 -4.018 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -9.290 0.831 -3.258 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -9.622 1.999 -4.200 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -16.485 -2.993 -1.203 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -16.045 -2.207 -1.594 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -16.363 -2.883 -0.250 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -23.303 1.003 -3.972 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -23.049 0.142 -4.373 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -23.424 1.591 -4.726 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -5.010 -3.909 -2.521 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -5.174 -3.436 -1.678 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -5.674 -4.630 -2.519 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -18.239 3.782 -0.981 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -18.726 2.924 -0.976 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -18.913 4.437 -0.773 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -13.548 -7.935 -6.427 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -14.307 -8.361 -6.880 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -12.786 -8.504 -6.658 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -9.418 -4.727 -5.775 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -9.367 -4.318 -4.903 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -8.923 -4.114 -6.354 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -15.752 -3.956 -6.546 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -16.363 -4.596 -6.147 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -15.379 -3.471 -5.774 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -9.173 -5.539 -13.896 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -8.825 -5.643 -14.788 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -9.471 -4.625 -13.861 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -17.363 -6.224 -5.436 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -18.280 -6.008 -5.222 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -17.375 -6.387 -6.411 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -8.211 -2.390 -6.817 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -8.745 -2.235 -7.632 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -8.712 -1.925 -6.117 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -8.674 -7.699 -8.522 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -7.964 -7.156 -8.943 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -9.477 -7.485 -9.040 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -15.053 1.097 0.483 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -15.921 0.924 0.914 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -15.257 1.756 -0.202 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -12.588 -2.902 -7.940 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -12.596 -3.884 -7.916 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -13.522 -2.655 -8.010 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -11.851 -3.350 -5.330 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -12.274 -2.952 -6.121 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -11.301 -4.070 -5.694 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -12.441 0.325 -4.605 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -12.969 0.734 -3.886 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -11.554 0.719 -4.500 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -18.858 -3.205 -2.918 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -19.703 -2.967 -2.478 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -18.184 -3.088 -2.223 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -9.298 -7.479 -5.866 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -9.265 -7.547 -6.838 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -9.430 -6.523 -5.700 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -6.003 -9.512 -11.239 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -5.626 -8.696 -10.864 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -5.407 -9.725 -11.991 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.801 -1.581 -4.717 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -9.997 -0.623 -4.603 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -10.682 -1.989 -4.867 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -8.555 -9.530 -12.295 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -8.335 -9.969 -13.142 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -7.703 -9.517 -11.804 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -7.232 -5.467 -2.826 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -8.093 -5.843 -2.535 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -7.465 -4.576 -3.172 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -6.730 -6.236 -9.682 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -6.898 -5.586 -10.372 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -5.850 -6.606 -9.909 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -21.497 -7.706 -6.131 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -21.141 -6.797 -6.054 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -21.072 -8.059 -6.921 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -19.497 1.359 -0.954 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -18.966 0.549 -0.869 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -20.369 1.039 -1.264 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -15.205 -0.793 -2.237 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -14.468 -0.146 -2.262 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -16.005 -0.247 -2.437 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -5.518 -2.693 -6.446 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -6.496 -2.623 -6.575 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -5.149 -2.396 -7.286 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -13.046 -4.381 -3.072 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -12.547 -4.017 -3.834 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -13.508 -5.165 -3.441 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -14.530 -0.758 -6.093 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -13.778 -0.220 -5.777 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -14.634 -1.444 -5.407 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -5.634 0.017 -1.707 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -4.820 0.517 -1.563 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -5.509 -0.398 -2.595 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -5.342 -1.563 -3.917 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -4.992 -2.353 -3.451 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -5.249 -1.786 -4.867 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -2.076 -4.741 -3.063 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -2.741 -4.443 -3.704 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -1.217 -4.482 -3.472 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -2.183 -6.460 -9.023 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -1.588 -7.227 -8.895 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -1.612 -5.693 -8.893 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -4.258 -4.770 -5.044 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -4.580 -4.497 -4.163 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -4.640 -4.108 -5.655 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -3.714 -7.373 -12.956 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -3.830 -8.331 -13.140 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -3.272 -7.033 -13.739 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -17.314 -6.565 -8.120 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -17.423 -7.386 -8.614 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -16.533 -6.138 -8.533 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -19.310 -2.706 -5.552 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -18.584 -2.159 -5.943 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -19.050 -2.807 -4.604 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -6.125 -7.965 -3.062 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -6.527 -7.072 -3.016 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -5.156 -7.788 -3.038 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -19.845 -8.895 -3.177 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -19.882 -9.505 -3.942 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -20.421 -8.148 -3.436 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -9.045 -10.143 -7.451 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -9.972 -9.870 -7.289 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.704 -9.460 -8.067 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 0.926 -10.800 -9.253 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 1.652 -11.059 -9.831 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 1.327 -10.794 -8.349 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -10.097 -7.286 -11.989 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -9.814 -6.636 -12.669 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -9.497 -8.050 -12.127 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -5.705 -10.088 -15.491 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -5.807 -10.019 -16.444 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -6.579 -10.408 -15.176 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -8.623 -1.931 6.835 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -8.375 -2.872 6.753 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -9.425 -1.842 6.272 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -19.140 -4.183 0.132 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -19.376 -4.087 1.076 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -19.851 -4.750 -0.234 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.078 -9.213 13.234 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.825 -8.923 12.675 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -0.191 -8.400 13.714 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -7.913 -3.963 11.934 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -7.887 -3.686 10.994 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -8.442 -3.282 12.364 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -13.617 -5.598 4.912 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -14.326 -5.203 4.358 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -14.081 -6.291 5.434 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -7.467 -4.878 3.134 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -8.185 -4.204 3.119 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -7.948 -5.736 3.110 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -10.591 -1.544 4.946 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -10.799 -0.607 4.789 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -11.472 -1.997 4.907 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -2.839 -5.164 13.729 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -3.815 -5.177 13.611 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -2.571 -4.315 13.365 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -5.187 -1.684 4.661 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -4.238 -1.601 4.900 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -5.448 -2.559 5.026 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -7.250 -8.478 9.191 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -7.761 -7.689 8.914 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -6.331 -8.140 9.326 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -5.938 -4.209 5.350 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -6.510 -4.400 6.131 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -6.445 -4.565 4.593 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -8.129 -5.886 13.972 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -8.113 -5.340 13.162 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -9.078 -6.081 14.108 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -9.911 1.239 4.268 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -9.567 0.843 3.447 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -9.165 1.177 4.888 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -15.512 -4.352 3.341 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -16.339 -3.915 3.631 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -15.788 -5.287 3.168 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -7.656 -7.050 19.471 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -7.041 -7.214 18.718 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -7.383 -6.194 19.816 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -14.764 -7.657 6.362 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -14.930 -7.157 7.189 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -15.359 -8.436 6.429 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -4.989 -8.064 13.716 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -4.699 -7.418 13.057 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -4.199 -8.211 14.274 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -8.345 0.248 -1.880 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -8.714 0.763 -1.123 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -7.373 0.365 -1.798 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -12.866 -2.923 4.652 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -12.998 -3.880 4.793 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -13.689 -2.630 4.246 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -9.130 -6.492 8.616 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -9.843 -6.561 7.942 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -9.602 -6.530 9.463 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -19.471 -6.052 4.842 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -18.737 -5.436 4.662 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -20.268 -5.501 4.753 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -11.680 -7.182 3.846 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -12.302 -6.458 4.078 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -12.153 -7.998 4.122 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -16.132 -6.908 3.098 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -16.729 -7.598 3.450 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -15.586 -7.381 2.436 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -8.341 -8.294 11.840 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -7.849 -8.437 11.008 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -9.169 -7.864 11.556 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -7.659 -4.500 7.432 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -8.163 -5.296 7.711 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -7.533 -3.999 8.261 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -17.341 -9.220 3.835 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -17.058 -9.180 4.766 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -17.739 -10.112 3.748 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -10.772 -6.626 13.970 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -11.660 -6.305 14.157 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -10.792 -6.844 13.012 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -10.323 3.939 1.217 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -10.019 4.769 1.602 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -10.950 3.577 1.887 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -7.464 -0.180 5.007 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -6.547 -0.524 4.951 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -7.872 -0.712 5.722 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -2.070 -4.384 2.527 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -1.935 -4.496 1.563 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -1.986 -3.424 2.668 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -18.917 -1.341 0.216 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -18.696 -2.268 0.004 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -19.854 -1.377 0.484 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -11.858 2.693 3.105 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -12.533 2.965 3.737 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -11.194 2.211 3.653 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -8.263 -0.078 2.421 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -7.530 -0.557 1.993 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -7.975 0.000 3.362 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -6.378 -2.192 2.265 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -5.849 -1.872 3.034 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -6.638 -3.096 2.520 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -11.613 2.784 -1.055 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -10.972 2.086 -0.848 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -11.374 3.508 -0.451 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -12.794 0.317 1.721 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -13.620 0.665 1.308 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -12.377 1.101 2.111 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -18.066 -3.657 4.153 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -18.170 -2.837 4.647 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -18.794 -3.631 3.489 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -7.753 -2.566 9.476 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -8.261 -2.175 8.735 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -7.124 -1.877 9.720 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -12.618 -9.489 18.908 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -12.985 -8.969 19.635 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -11.731 -9.102 18.764 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -10.575 -9.167 5.866 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -9.746 -9.034 5.364 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -10.402 -9.978 6.395 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -13.734 -1.842 0.234 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -13.328 -1.200 0.860 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -14.320 -1.294 -0.318 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -16.169 -10.016 6.295 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -15.889 -10.692 5.640 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -16.498 -10.537 7.042 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -13.608 1.486 -2.407 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -14.401 2.024 -2.218 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -12.881 1.964 -1.944 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -9.364 1.514 0.288 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -9.089 1.011 1.078 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -9.548 2.416 0.631 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -14.218 -4.457 0.873 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -14.640 -4.439 1.754 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -14.074 -3.513 0.660 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -5.918 -2.403 -0.393 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -5.905 -1.486 -0.742 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -6.108 -2.293 0.568 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -12.479 -6.395 9.224 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -13.419 -6.254 9.015 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -12.048 -6.468 8.345 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -3.092 -8.470 18.076 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -2.539 -8.238 18.846 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -3.623 -9.238 18.389 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -12.012 -9.581 11.665 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -12.500 -10.130 12.319 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -12.089 -10.073 10.841 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -10.236 -7.876 19.124 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -9.320 -7.540 19.247 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -10.592 -7.934 20.041 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -5.767 -7.778 17.643 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -4.793 -7.713 17.677 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -5.952 -8.697 17.894 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -4.684 -10.485 18.871 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -4.268 -10.960 19.609 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -5.632 -10.414 19.132 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -9.444 -7.839 16.460 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -9.802 -7.898 17.372 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -10.082 -7.286 15.989 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -13.389 -11.422 17.012 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -13.652 -10.933 16.222 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -13.166 -10.723 17.664 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -17.610 0.757 1.352 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -17.995 -0.082 1.015 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -18.339 1.386 1.304 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -1.940 -1.431 2.581 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -1.364 -0.741 2.233 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -2.511 -1.677 1.812 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -3.282 -2.418 0.477 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -4.188 -2.492 0.133 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -2.833 -3.224 0.145 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -3.326 -4.355 6.207 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -3.057 -3.446 5.981 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -4.278 -4.386 5.986 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 0.379 -5.916 18.915 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 0.655 -5.782 17.978 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 1.046 -5.417 19.434 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -2.508 -1.852 5.211 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -2.273 -1.693 4.265 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -1.764 -1.487 5.704 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -4.620 -7.826 9.523 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.084 -8.434 10.085 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -4.004 -7.123 9.282 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -5.558 -5.069 13.199 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -6.148 -4.634 12.558 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -6.169 -5.495 13.828 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -4.411 -5.865 2.111 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -3.600 -5.364 2.331 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -5.091 -5.475 2.675 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -2.800 -8.680 15.334 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.872 -8.571 16.310 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -2.093 -8.043 15.075 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -9.205 -2.823 2.943 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -8.779 -1.983 2.701 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -9.835 -2.572 3.652 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -10.836 -7.181 11.236 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -11.241 -8.064 11.422 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -11.450 -6.773 10.579 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -7.008 -10.277 7.072 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -6.039 -10.264 6.912 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -7.135 -9.646 7.817 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -4.185 -10.373 6.795 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -3.428 -10.307 6.169 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -3.888 -9.881 7.573 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -15.637 -11.897 4.384 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -16.609 -12.031 4.273 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -15.327 -12.727 4.815 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -9.071 -7.199 3.110 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -9.986 -7.107 3.464 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -8.676 -7.919 3.654 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -11.232 -6.662 6.817 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -11.697 -6.182 6.114 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -11.070 -7.555 6.431 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -7.959 -11.356 2.657 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -7.663 -12.176 3.116 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -7.907 -11.577 1.717 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -11.630 -13.304 16.052 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -11.664 -14.003 16.739 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -12.175 -12.580 16.423 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -1.695 -6.636 27.788 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -2.401 -6.536 27.123 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -1.246 -7.467 27.534 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -4.789 -7.766 24.662 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.570 -7.369 24.260 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -4.251 -6.994 24.962 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -4.230 -13.653 19.594 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -5.173 -13.545 19.788 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -3.795 -13.479 20.448 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -9.353 -11.538 19.977 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -8.989 -12.418 19.752 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -10.330 -11.672 19.952 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -7.278 -9.869 19.323 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -7.535 -8.985 19.639 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -8.041 -10.440 19.566 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -1.428 -6.216 22.004 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -1.449 -5.646 22.794 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.841 -5.667 21.296 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -2.171 -5.151 19.609 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -1.275 -5.426 19.310 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -2.652 -4.988 18.793 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -2.302 -11.320 20.238 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -2.071 -10.383 20.420 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -2.727 -11.629 21.069 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -2.010 -8.644 20.803 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -2.512 -8.907 21.612 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -1.691 -7.744 21.008 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -3.188 -5.741 25.505 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -3.249 -4.888 25.962 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -2.341 -5.685 25.011 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -3.781 -9.508 26.500 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -4.304 -8.877 25.959 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -3.553 -10.231 25.871 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -3.950 -12.498 22.081 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -3.899 -13.005 22.918 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -4.904 -12.514 21.852 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -4.121 -11.302 28.508 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -3.303 -11.188 29.008 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -4.122 -10.551 27.872 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -1.086 -8.968 26.492 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.775 -9.867 26.734 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -2.064 -9.042 26.525 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -11.971 -11.246 25.315 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -11.944 -10.293 25.184 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -12.246 -11.354 26.234 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -3.146 -9.367 23.112 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -3.811 -8.855 23.610 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -3.070 -10.209 23.608 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -11.102 -8.206 21.671 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -11.175 -7.635 22.439 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -10.580 -8.979 21.994 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 5.596 -30.835 2.436 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 5.024 -30.401 3.112 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 6.479 -30.788 2.811 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 5.261 -36.442 13.726 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 5.564 -35.692 14.281 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 4.852 -37.054 14.359 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 1.742 -33.968 10.864 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 2.300 -34.734 11.100 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 2.358 -33.360 10.398 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 6.516 -29.134 9.575 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 7.202 -29.497 8.968 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 5.988 -28.548 8.999 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 0.813 -32.969 13.180 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 1.451 -32.320 13.534 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 1.209 -33.256 12.326 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 3.566 -30.776 6.951 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 3.005 -30.003 6.702 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 2.978 -31.315 7.518 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 6.375 -32.993 10.096 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 6.629 -32.268 10.698 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 6.556 -32.641 9.206 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 2.761 -33.561 7.475 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 1.908 -33.109 7.599 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 3.238 -33.394 8.310 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 14.357 -27.382 17.300 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 15.238 -27.725 17.023 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 13.927 -28.156 17.742 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 4.183 -35.656 17.479 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.359 -35.567 18.004 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 3.972 -36.355 16.823 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 3.233 -37.449 15.558 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 2.488 -37.667 16.160 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 2.867 -37.603 14.662 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 5.989 -32.097 7.342 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 5.853 -32.939 6.892 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 5.133 -31.628 7.234 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 1.407 -31.664 16.654 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 1.668 -32.056 17.514 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 0.458 -31.901 16.560 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 2.401 -37.754 12.931 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 2.635 -38.446 12.302 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 2.746 -36.932 12.520 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -0.973 -32.481 9.843 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -0.470 -33.235 10.190 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -1.854 -32.846 9.648 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 5.632 -34.382 15.466 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 5.149 -34.799 16.211 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 5.638 -33.442 15.684 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 11.603 -27.072 4.179 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 10.764 -26.885 3.697 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 11.352 -27.732 4.838 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 4.811 -28.364 7.598 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 3.868 -28.162 7.796 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 4.775 -29.242 7.171 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -3.192 -33.764 14.489 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -2.504 -34.176 13.917 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -4.027 -33.960 14.035 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -1.335 -32.052 16.254 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -2.068 -31.484 16.602 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -1.788 -32.839 15.917 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 3.834 -35.747 11.531 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 4.463 -35.475 10.850 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 4.400 -35.946 12.315 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -1.370 -37.910 16.076 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -1.958 -38.661 16.225 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -1.948 -37.125 16.199 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 12.945 -29.507 18.202 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 12.998 -30.459 18.421 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 12.076 -29.231 18.554 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 3.724 -29.711 10.037 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 3.036 -29.335 9.437 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 4.560 -29.538 9.579 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 5.174 -32.011 13.920 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 5.575 -31.616 13.122 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 5.299 -32.965 13.801 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 12.194 -27.102 15.644 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 12.993 -27.272 16.194 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 12.224 -27.788 14.967 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 3.358 -32.713 4.878 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 3.569 -31.870 5.313 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 3.099 -33.300 5.615 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 8.314 -28.541 4.958 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 8.715 -28.089 4.193 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 7.510 -28.018 5.150 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 4.095 -29.423 4.175 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 3.345 -29.448 4.802 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 4.106 -28.503 3.863 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 3.658 -31.272 0.617 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 4.024 -31.965 0.059 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 4.386 -31.064 1.252 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 15.194 -25.307 11.246 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 15.131 -25.907 10.472 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 15.817 -24.631 10.970 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 12.631 -32.108 19.163 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 12.195 -32.793 18.606 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 11.924 -31.820 19.775 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -0.247 -35.444 20.981 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -1.161 -35.131 21.146 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -0.195 -36.290 21.480 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 6.097 -34.569 19.256 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 5.482 -34.926 18.582 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 6.313 -35.349 19.818 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 1.107 -37.969 17.246 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 0.228 -37.942 16.806 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 1.192 -38.904 17.549 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 9.199 -26.816 2.865 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 8.297 -26.450 2.979 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 9.430 -26.586 1.936 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 1.829 -31.936 2.693 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 2.489 -31.819 1.988 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 2.344 -32.294 3.448 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -0.165 -36.963 13.703 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -0.471 -37.397 14.523 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 0.713 -37.355 13.535 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 7.830 -29.951 7.326 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 8.117 -29.589 6.460 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 7.333 -30.758 7.097 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 2.611 -31.109 14.307 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 2.266 -31.308 15.211 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 3.520 -31.479 14.310 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 12.621 -24.492 14.959 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 12.348 -25.425 15.105 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 13.221 -24.303 15.706 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 6.564 -30.774 11.790 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 6.475 -30.161 11.024 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 7.134 -30.300 12.404 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 8.380 -24.297 13.132 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 9.141 -23.892 13.605 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 8.663 -25.205 12.965 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 16.738 -28.335 16.356 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 16.936 -29.276 16.303 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 17.361 -27.924 15.748 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 3.734 -32.488 9.818 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 4.676 -32.673 10.022 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 3.638 -31.522 9.973 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 6.666 -25.864 3.167 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 6.400 -24.987 3.536 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 6.399 -26.502 3.862 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 1.795 -29.260 0.205 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 1.100 -29.621 0.797 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 2.514 -29.928 0.249 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 3.361 -32.266 27.222 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 3.589 -32.294 26.262 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.093 -31.789 27.621 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.742 -37.728 22.392 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.956 -37.756 23.334 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -1.441 -38.271 21.976 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.717 -34.060 26.839 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -3.480 -34.445 27.311 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -2.647 -34.599 26.023 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 15.012 -32.771 20.394 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 14.161 -32.416 20.057 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 15.242 -33.461 19.767 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -1.333 -32.039 23.112 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -2.265 -32.184 23.381 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -0.936 -31.562 23.869 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 12.760 -31.362 26.406 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 12.646 -32.318 26.435 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 13.655 -31.217 26.780 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 4.198 -31.982 24.667 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 3.522 -31.544 24.106 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 5.026 -31.845 24.188 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 7.602 -31.447 33.762 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 8.480 -31.807 33.920 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 7.768 -30.516 33.500 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 9.592 -30.884 22.979 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 8.778 -31.421 23.083 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 9.920 -31.123 22.083 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -0.128 -30.799 25.237 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 0.483 -31.172 25.879 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -1.007 -30.865 25.672 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 10.516 -28.691 19.273 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 10.572 -28.295 20.162 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 10.339 -27.922 18.679 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 10.802 -29.906 25.216 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 10.413 -30.343 24.424 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 11.483 -30.544 25.533 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 5.045 -35.316 23.046 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 4.983 -34.495 22.510 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 4.565 -35.107 23.853 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 8.681 -34.305 22.048 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 8.255 -35.130 22.309 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 8.183 -33.615 22.525 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 7.143 -32.179 22.889 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 6.778 -31.280 23.034 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 6.458 -32.626 22.339 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 0.929 -40.574 17.973 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 0.148 -40.412 18.552 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 1.082 -41.518 18.042 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 6.316 -36.646 21.029 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 6.123 -37.587 21.064 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 5.842 -36.273 21.807 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 5.139 -32.511 33.249 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 6.014 -32.092 33.420 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 5.123 -33.270 33.841 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 0.680 -31.616 30.643 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 1.556 -31.561 31.080 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 0.838 -32.204 29.869 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 8.657 -33.296 19.504 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 7.759 -33.583 19.240 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 8.789 -33.714 20.388 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 2.017 -32.833 19.099 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 1.516 -32.754 19.943 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 1.967 -33.786 18.881 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 0.662 -32.872 21.490 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 0.468 -33.825 21.368 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.096 -32.542 22.024 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 5.111 -33.122 21.410 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 5.363 -33.552 20.562 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 4.476 -32.423 21.144 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 3.540 -30.977 20.597 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 3.099 -31.438 19.853 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 4.211 -30.401 20.165 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 11.513 -28.279 30.670 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 11.786 -28.634 29.792 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 10.584 -27.977 30.529 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 2.347 -30.686 23.073 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 1.586 -31.277 22.962 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 2.796 -30.709 22.197 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -0.195 -29.595 32.362 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -0.992 -29.294 31.881 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 0.049 -30.429 31.916 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 10.290 -31.209 20.357 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 10.225 -30.402 19.799 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 9.651 -31.836 19.950 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 16.418 -32.255 22.715 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 15.877 -32.318 21.894 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 16.733 -33.152 22.856 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 1.636 -35.662 18.730 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 0.963 -35.662 19.438 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 1.415 -36.453 18.189 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 10.872 -33.833 17.958 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 10.596 -34.531 17.358 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 10.067 -33.633 18.482 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -5.280 -33.082 18.814 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.761 -32.405 19.263 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.465 -32.686 17.922 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 12.449 -29.068 28.241 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 12.965 -28.266 28.002 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 12.521 -29.641 27.462 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 14.937 -30.636 27.923 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 15.831 -30.339 28.218 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 14.358 -30.411 28.667 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 3.325 -31.766 31.401 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 3.393 -32.454 30.730 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 3.972 -32.045 32.098 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 7.135 -25.528 30.023 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 7.544 -24.903 29.384 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 6.257 -25.726 29.632 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 1.206 -33.239 28.518 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 0.902 -33.983 27.986 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 1.998 -32.904 28.034 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 11.022 -29.346 33.101 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 11.274 -28.981 32.220 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 11.861 -29.575 33.509 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 8.913 -27.547 30.639 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 8.301 -26.799 30.481 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 8.524 -28.017 31.399 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 17.118 -29.263 28.731 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 17.874 -29.227 29.322 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 16.912 -28.319 28.546 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 0.950 -15.957 -5.515 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 0.649 -15.951 -4.584 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 1.637 -16.653 -5.539 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -2.805 -16.269 -8.592 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -2.790 -16.923 -9.298 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -3.044 -15.426 -9.049 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 3.312 -17.568 -5.279 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 3.656 -17.837 -6.138 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 3.516 -18.326 -4.690 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 4.575 -15.867 -3.453 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 4.217 -16.436 -4.158 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 4.178 -14.998 -3.626 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 2.107 -17.710 -2.391 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 2.871 -18.222 -2.735 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 2.497 -17.141 -1.694 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 0.571 -15.528 -2.792 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 1.091 -16.346 -2.622 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 0.113 -15.358 -1.940 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -2.240 -12.316 -7.176 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -2.162 -12.253 -8.147 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -1.882 -13.205 -6.966 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 7.735 -18.312 -0.290 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 8.667 -18.115 -0.511 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 7.708 -18.268 0.681 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 0.736 -20.101 -2.575 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 1.142 -19.215 -2.641 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 0.313 -20.238 -3.452 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 7.453 -21.789 0.013 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 8.096 -21.069 0.031 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 7.640 -22.298 0.820 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -0.824 -20.394 -4.811 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -0.838 -20.551 -5.760 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -1.324 -21.154 -4.434 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 10.557 -18.768 -3.142 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 10.666 -18.391 -4.021 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 10.437 -19.710 -3.299 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 5.459 -20.315 1.610 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 5.300 -20.598 0.686 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 6.046 -21.017 1.978 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -0.861 -24.145 -5.313 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -0.470 -24.325 -6.172 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -0.982 -25.038 -4.911 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 5.243 -13.912 1.843 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 5.580 -14.767 2.172 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 5.537 -13.269 2.515 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 0.737 -20.910 -0.012 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 1.030 -20.696 -0.925 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 1.388 -21.582 0.299 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 7.265 -18.470 2.441 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 6.619 -19.144 2.128 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 8.116 -18.968 2.517 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 4.914 -21.406 -0.977 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 4.398 -22.196 -0.767 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 5.848 -21.683 -0.838 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 4.081 -19.400 -3.261 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 4.939 -19.336 -2.815 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 3.748 -20.275 -3.003 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 12.364 -21.432 4.877 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 12.985 -21.218 5.608 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 11.548 -20.926 5.102 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 10.403 -17.659 -0.642 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 10.477 -17.972 -1.572 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 11.279 -17.880 -0.247 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 2.195 -23.076 0.749 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 2.868 -23.761 0.943 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 1.342 -23.548 0.845 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 10.674 -27.310 -1.789 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 11.592 -27.511 -1.986 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 10.172 -27.854 -2.403 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 11.181 -23.866 6.567 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 11.466 -23.035 7.011 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 11.745 -24.557 6.972 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 11.989 -24.908 1.390 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 12.450 -25.537 1.953 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 12.311 -24.039 1.690 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 4.013 -25.141 1.248 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 4.910 -25.145 0.840 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 4.158 -25.492 2.140 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 9.663 -25.871 0.331 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 10.462 -25.376 0.623 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 9.964 -26.357 -0.467 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -1.654 -11.766 -9.804 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -2.166 -10.937 -9.766 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -0.719 -11.475 -9.760 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -5.060 -11.690 -9.674 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -5.646 -11.142 -10.225 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.399 -11.059 -9.331 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -3.370 -13.919 -9.818 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -2.641 -13.288 -9.979 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -4.166 -13.352 -9.773 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -2.055 -22.485 -3.556 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -1.606 -23.159 -4.126 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -1.718 -22.673 -2.650 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 1.346 -22.682 -9.370 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 2.263 -22.942 -9.472 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 0.963 -22.811 -10.239 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 2.484 -14.030 -4.181 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 2.166 -14.495 -4.975 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 1.938 -14.396 -3.459 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.913 -14.031 -0.334 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 8.415 -14.679 0.202 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 7.494 -14.565 -1.016 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 2.737 -11.315 -4.188 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 3.129 -11.265 -3.290 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 2.610 -12.277 -4.335 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -1.365 -9.946 -6.185 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -1.684 -10.834 -6.469 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -0.972 -9.568 -6.989 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -1.315 -14.850 -6.691 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -1.557 -15.460 -7.418 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -0.451 -15.191 -6.370 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 1.750 -26.521 0.297 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 1.905 -27.491 0.309 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 2.625 -26.135 0.504 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 6.706 -25.284 0.501 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 6.786 -25.535 1.444 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 7.613 -25.357 0.160 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 11.708 -18.446 9.003 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 12.085 -17.722 8.469 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 11.165 -18.961 8.355 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 13.194 -15.412 9.973 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 13.082 -15.651 9.031 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 12.722 -14.548 10.057 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 11.080 -12.831 7.182 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 10.808 -11.944 7.481 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 11.658 -13.150 7.896 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 8.505 -21.702 12.163 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 9.163 -21.750 11.434 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 8.310 -22.636 12.369 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 12.570 -16.354 7.396 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 12.659 -16.866 6.561 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 11.649 -16.008 7.364 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 10.797 -24.850 10.268 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 11.392 -25.085 11.018 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 10.701 -23.874 10.340 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 12.227 -17.450 11.552 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 11.995 -18.113 10.872 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 12.420 -16.639 11.034 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 12.658 -25.166 12.241 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 12.735 -24.811 13.146 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 13.589 -25.228 11.928 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 11.603 -13.248 9.932 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 10.743 -13.467 10.342 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 11.508 -12.304 9.670 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 14.397 -16.112 12.579 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 14.466 -15.728 11.687 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 13.624 -16.711 12.516 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 12.278 -18.174 5.305 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 11.423 -18.657 5.390 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 12.517 -18.279 4.367 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 10.893 -17.369 16.623 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 11.868 -17.346 16.701 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 10.733 -17.411 15.663 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 8.943 -13.746 10.729 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 8.681 -14.106 9.858 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 8.076 -13.524 11.164 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 10.025 -15.358 7.263 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 10.242 -14.402 7.270 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.129 -15.399 7.661 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 8.429 -14.243 3.216 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 8.757 -14.472 2.324 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 9.251 -14.175 3.762 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 11.366 -23.714 17.819 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 12.272 -24.087 17.763 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 11.506 -22.745 17.763 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 8.111 -21.068 15.138 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 8.657 -21.589 14.526 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 8.179 -21.552 15.985 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 12.797 -18.456 0.358 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 12.771 -18.712 1.301 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 13.540 -18.953 -0.001 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 9.658 -22.524 4.259 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 9.742 -21.585 4.526 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 10.530 -22.903 4.448 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 7.245 -21.944 2.930 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 6.696 -22.543 3.494 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 8.158 -22.094 3.250 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 12.184 -7.374 18.916 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 12.526 -6.479 18.840 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 11.729 -7.531 18.062 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 14.750 -18.148 8.524 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 14.296 -18.136 9.373 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 14.627 -17.256 8.175 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 9.758 -19.490 2.433 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 10.659 -19.552 2.085 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 9.866 -19.628 3.406 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 10.602 -14.258 4.773 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 10.448 -14.975 5.411 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 10.941 -13.526 5.318 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 9.462 -14.308 13.665 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 8.631 -13.954 14.045 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 9.315 -14.279 12.708 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 9.086 -19.125 9.799 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 9.970 -18.732 9.840 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 9.038 -19.497 8.901 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 3.666 -11.661 8.611 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 3.195 -12.507 8.524 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 4.048 -11.689 9.525 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 10.916 -18.033 13.880 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 11.576 -18.663 14.246 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 11.345 -17.689 13.064 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 11.498 -12.046 -0.088 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 11.797 -12.863 0.323 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 12.308 -11.574 -0.302 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 13.875 -11.349 16.801 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 13.976 -12.315 16.741 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 14.778 -11.018 16.854 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 12.722 -19.650 2.811 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 12.494 -20.305 3.500 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 13.509 -20.042 2.364 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 5.646 -23.718 14.018 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 6.140 -22.960 14.350 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 6.332 -24.325 13.695 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 7.581 -14.727 8.321 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 7.160 -13.906 7.991 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 6.853 -15.376 8.337 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 6.442 -12.492 4.034 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 7.192 -13.092 3.825 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 6.797 -11.610 3.886 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 10.654 -22.143 10.452 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 11.164 -21.898 9.648 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 11.117 -21.674 11.184 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 6.358 -16.064 3.289 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 6.756 -16.914 2.996 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 7.126 -15.463 3.393 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 9.346 -15.876 1.133 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 9.398 -16.482 1.881 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 9.795 -16.360 0.403 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 11.613 -13.393 15.145 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 10.925 -13.931 14.701 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 11.456 -12.486 14.809 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 10.340 -23.045 14.584 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 11.197 -23.520 14.712 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 9.912 -23.088 15.464 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 13.640 -17.047 16.722 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 13.706 -16.082 16.843 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 14.293 -17.246 16.020 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 8.818 -23.131 16.945 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 9.628 -23.395 17.433 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 8.128 -23.708 17.304 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 10.469 -26.453 17.739 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 10.694 -25.512 17.850 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 10.949 -26.719 16.930 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 6.101 -11.211 -0.201 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 6.046 -12.149 0.039 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 7.066 -11.063 -0.356 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -1.901 -9.973 5.263 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -2.063 -9.724 4.334 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -1.215 -9.343 5.558 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 17.146 -15.715 15.685 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 17.225 -15.300 16.567 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 16.683 -15.045 15.152 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 15.242 -14.200 14.343 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 15.341 -13.427 13.776 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 14.881 -14.893 13.744 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 14.692 -21.021 1.537 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 15.597 -21.277 1.333 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 14.283 -21.841 1.895 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 11.841 -21.645 8.037 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 11.140 -20.992 7.792 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 12.676 -21.196 7.795 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 15.505 -17.612 14.725 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 16.261 -17.077 15.071 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 15.269 -17.174 13.884 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 13.404 -23.036 2.907 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 13.660 -23.883 3.331 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 12.992 -22.520 3.634 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 13.696 -20.015 6.810 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 13.277 -19.282 6.314 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 14.275 -19.560 7.461 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 11.391 -21.118 12.862 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 10.987 -21.858 13.358 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 11.955 -20.671 13.521 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 12.560 -19.916 15.050 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 13.514 -19.937 15.271 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 12.132 -20.351 15.816 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 14.676 -25.753 6.485 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 13.857 -25.484 6.942 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 14.474 -25.624 5.541 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 10.666 -10.973 14.143 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 10.926 -10.049 13.955 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 9.816 -10.887 14.616 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 6.550 -10.472 12.724 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 7.224 -11.120 12.449 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 5.722 -10.808 12.303 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 8.250 -9.697 14.692 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 8.821 -9.069 14.207 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 7.538 -9.917 14.053 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 10.558 -8.223 13.966 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 10.854 -7.391 13.582 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 10.705 -8.109 14.932 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 12.514 -25.602 8.220 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 13.219 -26.111 8.663 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 11.878 -25.399 8.942 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 15.000 -26.819 8.959 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 15.380 -27.706 8.944 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 15.115 -26.492 8.037 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 6.030 -27.077 5.500 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 5.395 -26.320 5.483 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 5.703 -27.641 6.231 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.837 -25.625 3.836 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 14.426 -26.298 3.472 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 13.000 -26.117 4.037 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 3.356 -13.458 -0.085 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 3.203 -14.357 -0.435 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 4.046 -13.584 0.605 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 13.951 -24.685 17.405 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 14.787 -24.337 17.733 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 14.067 -25.666 17.438 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 11.457 -10.729 17.835 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 12.277 -10.991 17.351 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 11.786 -10.388 18.691 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 8.957 -18.955 25.020 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.698 -18.812 24.403 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 8.232 -19.282 24.445 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 9.740 -17.748 29.302 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 10.592 -18.148 28.984 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 9.974 -16.835 29.501 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 4.016 -12.524 26.205 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 4.526 -13.116 26.804 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 4.107 -12.947 25.321 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.504 -8.643 26.036 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.962 -7.861 26.360 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 12.040 -9.379 26.346 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.849 -18.545 27.445 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 8.520 -18.212 28.078 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 8.349 -18.645 26.595 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 16.638 -26.665 28.009 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 17.056 -26.797 27.137 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 16.647 -25.684 28.136 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 12.817 -23.513 29.962 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 12.289 -23.121 30.682 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 12.882 -24.463 30.200 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 10.450 -18.487 22.683 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 10.995 -18.623 21.880 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 9.952 -17.682 22.495 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 4.203 -16.440 29.058 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 4.643 -16.814 28.273 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 4.185 -15.488 28.885 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 2.982 -17.437 31.300 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 3.474 -16.956 31.970 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 3.386 -17.145 30.449 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 13.893 -26.705 28.081 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 13.678 -26.463 29.013 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 14.871 -26.793 28.078 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 9.828 -15.407 18.202 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.284 -15.594 19.040 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 10.125 -16.124 17.602 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 11.360 -15.934 20.592 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 11.717 -16.847 20.597 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 12.074 -15.400 20.166 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 7.155 -21.236 27.474 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 7.088 -21.429 26.534 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 7.366 -20.283 27.507 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 8.332 -22.828 23.227 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 8.252 -21.864 23.198 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 9.301 -22.995 23.100 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 13.015 -19.304 23.381 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 12.075 -19.049 23.405 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 12.999 -20.286 23.385 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 11.589 -22.027 32.030 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 10.621 -21.900 32.071 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 11.804 -22.502 32.859 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 4.964 -17.849 24.076 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 4.501 -17.563 23.272 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 4.247 -17.893 24.751 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.636 -20.953 17.465 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 10.832 -20.497 17.745 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 12.364 -20.421 17.862 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 6.926 -19.673 23.402 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 6.272 -19.030 23.760 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 6.574 -19.910 22.538 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 16.886 -29.848 24.010 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 17.317 -29.445 23.250 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 16.677 -30.764 23.705 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 16.342 -14.130 17.786 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 15.420 -14.264 17.522 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 16.278 -13.633 18.625 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 -0.870 -11.732 26.861 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 -0.557 -11.833 27.787 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 -0.455 -12.492 26.391 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 5.908 -10.035 23.337 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 6.714 -10.519 23.583 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 5.448 -9.897 24.189 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 8.511 -12.052 22.514 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.299 -11.842 23.450 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 9.376 -12.502 22.560 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 -0.888 -18.278 29.006 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 -1.056 -19.191 29.328 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 -1.785 -17.873 28.950 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 7.936 -23.936 27.911 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 7.715 -24.124 26.968 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.718 -22.987 28.020 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 13.884 -25.179 33.074 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.152 -24.661 33.470 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 14.671 -24.850 33.514 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 13.673 -19.327 18.291 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 13.594 -18.420 17.921 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 14.380 -19.736 17.756 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 13.043 -24.731 26.391 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 13.539 -25.138 25.657 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 13.311 -25.259 27.179 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.749 -21.691 32.272 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 7.810 -21.822 32.481 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.749 -20.922 31.663 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 0.204 -17.490 31.442 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 1.171 -17.473 31.298 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 -0.169 -17.658 30.553 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.206 -25.412 22.184 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 8.015 -24.505 22.493 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.137 -25.382 21.929 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.922 -23.532 22.886 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.678 -22.950 23.102 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.306 -24.437 22.895 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 6.473 -19.499 32.924 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 6.794 -18.907 33.612 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.045 -19.303 32.152 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 13.733 -14.188 16.613 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 12.845 -13.959 16.228 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 14.325 -14.234 15.826 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.145 -18.644 28.567 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.566 -19.235 29.224 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.669 -18.786 27.748 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 15.511 -12.837 20.097 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 16.175 -12.772 20.792 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 14.746 -12.317 20.446 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.415 -18.516 20.669 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.002 -18.722 21.422 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 12.894 -18.866 19.889 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 -0.890 -10.187 32.690 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 -0.943 -10.789 33.468 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 -1.783 -10.195 32.330 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 6.752 -24.767 32.652 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 6.478 -23.838 32.535 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 6.908 -25.089 31.735 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 7.513 -24.456 25.312 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 6.732 -24.920 24.943 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 7.825 -23.892 24.575 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 9.236 -24.000 33.693 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 9.107 -23.169 33.195 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 8.418 -24.506 33.526 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.202 -26.139 30.632 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.537 -25.916 31.533 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 12.594 -26.896 30.783 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 16.453 -23.954 27.974 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 15.953 -23.282 28.478 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 16.665 -23.510 27.133 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 -0.874 -16.820 33.865 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 -0.008 -16.895 34.270 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 -0.711 -17.023 32.916 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 -0.120 -21.138 37.340 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 -0.957 -21.593 37.138 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 0.568 -21.701 36.927 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 4.519 -23.372 30.584 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 5.125 -22.907 31.195 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 4.353 -22.717 29.865 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 15.204 -19.984 15.979 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 15.970 -20.510 15.724 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 15.359 -19.109 15.548 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 2.293 -23.629 32.193 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 2.597 -23.248 33.039 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 3.082 -23.584 31.616 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 4.629 -25.509 28.905 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 4.490 -25.006 28.075 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 4.493 -24.841 29.612 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 8.127 -19.476 30.702 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 8.765 -18.831 30.322 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 7.627 -19.792 29.935 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 5.782 -22.096 32.688 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 5.144 -22.345 33.399 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 5.945 -21.133 32.841 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 3.688 -29.255 32.536 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 4.641 -29.357 32.624 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 3.393 -30.101 32.138 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 11.860 -23.689 34.266 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 11.903 -23.618 35.225 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.917 -23.930 34.084 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 3.747 -22.816 34.445 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 3.978 -23.775 34.499 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 3.206 -22.656 35.245 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 4.508 -25.401 34.163 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 5.369 -25.279 33.712 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 4.218 -26.275 33.885 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.149 -22.034 23.629 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.805 -22.649 23.225 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 13.353 -22.063 24.586 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 14.859 -23.918 22.687 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 15.464 -24.486 23.208 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 14.849 -24.322 21.815 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 13.553 -19.356 26.284 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 13.630 -20.322 26.206 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 13.518 -19.046 25.364 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 13.170 -20.269 30.575 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 12.608 -20.971 30.971 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 13.411 -19.713 31.323 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.024 -26.676 24.686 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.886 -26.277 24.438 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 14.270 -27.556 25.069 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.958 -13.310 21.714 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.674 -13.181 20.799 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 11.163 -14.263 21.766 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 0.279 -12.345 29.251 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 -0.164 -13.151 29.558 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 0.726 -11.992 30.059 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 1.391 -11.221 31.489 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 2.134 -10.959 32.071 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 0.600 -10.871 31.942 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 8.360 -28.872 33.090 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 9.322 -29.096 33.054 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 8.315 -28.132 33.706 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 -0.189 -7.803 31.323 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 -0.413 -8.472 31.997 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 0.320 -8.291 30.668 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 3.269 -10.317 33.363 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 3.179 -10.232 34.318 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 4.120 -9.913 33.165 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 3.444 -7.476 24.244 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 3.300 -7.772 25.163 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 4.400 -7.259 24.213 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 5.779 -16.836 26.709 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 5.665 -17.024 25.759 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 6.465 -17.477 27.000 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 16.413 -25.432 24.335 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 17.014 -26.089 24.747 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 16.632 -24.588 24.786 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 11.016 -28.562 22.060 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.691 -29.184 21.756 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 10.342 -29.130 22.477 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.242 -14.421 19.392 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 13.238 -14.306 18.426 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 14.022 -13.916 19.689 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 1.591 -27.991 33.750 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 2.423 -28.383 33.402 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 0.897 -28.627 33.467 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 1.583 -25.613 35.957 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 1.964 -26.417 35.571 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 1.304 -25.888 36.859 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 1.962 -23.731 39.345 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 1.206 -23.154 39.621 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 2.662 -23.512 39.969 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 3.065 -27.863 39.476 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 3.411 -28.222 40.301 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 3.541 -28.341 38.790 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 0.005 -21.971 39.961 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 0.023 -21.455 39.129 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 -0.940 -21.981 40.214 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 -1.406 -12.262 34.399 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 -2.080 -12.638 35.009 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 -0.928 -13.033 34.079 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 1.902 -23.001 36.647 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 1.769 -23.900 36.277 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 2.055 -23.159 37.601 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 0.232 -4.339 -4.437 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 0.967 -3.947 -4.917 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 0.390 -5.308 -4.501 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 3.417 -8.009 -6.288 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 4.305 -7.644 -6.375 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 3.284 -8.096 -5.319 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 2.111 -10.416 -6.803 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 2.201 -10.840 -5.927 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 2.622 -9.588 -6.719 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 2.580 -8.635 -3.728 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 2.610 -9.582 -3.991 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 2.403 -8.663 -2.765 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 -1.480 -8.754 -3.773 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 -1.265 -9.406 -3.067 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 -1.435 -9.280 -4.610 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 3.625 -11.182 -1.565 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 4.556 -11.020 -1.303 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 3.396 -12.026 -1.106 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 0.819 -7.598 3.070 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 1.124 -6.719 2.818 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 1.327 -8.206 2.488 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.813 -11.459 -0.345 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.521 -12.396 -0.361 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.790 -11.518 -0.299 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 -1.982 -4.730 -0.292 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 -2.084 -4.493 -1.239 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 -1.486 -5.577 -0.318 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 0.505 -7.037 -4.482 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 -0.264 -7.608 -4.261 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 1.284 -7.577 -4.225 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 0.955 -7.169 -7.221 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 0.645 -7.010 -6.308 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 1.895 -7.420 -7.110 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 1.735 -9.285 -1.141 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 2.379 -10.008 -1.335 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 1.833 -9.136 -0.177 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 4.943 -9.048 1.066 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 5.651 -8.396 1.023 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 5.325 -9.845 0.634 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 6.489 -7.868 12.001 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.296 -7.912 11.446 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.368 -8.792 12.314 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 1.738 -5.771 13.714 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 1.458 -6.453 13.085 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 2.494 -5.334 13.271 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 3.833 -4.919 12.114 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 4.023 -5.595 11.417 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 3.967 -4.076 11.667 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 6.115 -12.390 7.335 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 5.232 -12.089 7.636 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 6.077 -12.311 6.368 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 7.049 -13.129 14.428 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 6.760 -13.160 13.482 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 6.490 -12.452 14.822 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 0.400 -8.807 8.159 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 -0.221 -9.541 8.103 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 0.334 -8.370 7.276 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 -1.870 -6.068 4.719 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 -2.379 -5.570 5.401 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 -1.820 -5.448 3.961 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 4.366 -7.003 10.489 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 5.169 -7.398 10.891 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 4.032 -7.698 9.881 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 8.543 -8.765 10.427 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 7.860 -9.288 9.936 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 8.951 -9.422 11.029 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 5.446 -6.266 14.020 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 5.870 -6.841 13.350 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 4.870 -5.680 13.498 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 -0.890 -6.954 14.479 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 -0.152 -6.417 14.812 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 -1.555 -6.289 14.177 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 10.882 -10.781 9.160 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 10.968 -9.862 8.817 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.340 -10.683 9.965 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 1.927 -7.898 11.632 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 2.784 -7.497 11.852 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 2.109 -8.396 10.804 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 6.204 -6.574 16.688 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 5.377 -6.741 17.186 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 5.900 -6.395 15.767 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 4.180 -6.926 18.576 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 3.424 -7.533 18.686 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 4.515 -6.804 19.483 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 3.657 -4.341 17.871 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 3.115 -4.240 18.679 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 3.970 -5.270 17.912 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.399 -6.026 19.253 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 6.988 -5.151 19.442 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 7.149 -6.206 18.327 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.176 -8.363 17.047 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 7.450 -7.713 16.914 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.081 -8.983 16.291 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 10.832 -8.281 16.688 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.884 -8.168 16.943 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 11.042 -9.199 16.961 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 1.918 -8.200 19.715 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 1.212 -7.751 19.217 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 1.875 -7.792 20.603 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 6.042 -9.685 20.697 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 5.168 -9.934 20.319 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 5.947 -9.878 21.658 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 1.492 -5.360 16.444 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 1.654 -5.468 15.483 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 2.279 -4.876 16.765 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 -0.658 -7.722 10.444 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 0.116 -7.591 11.016 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 -0.275 -7.963 9.577 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 -2.804 -9.406 10.793 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 -2.027 -8.807 10.730 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 -2.659 -9.896 11.623 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 -0.081 -7.888 5.666 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 0.455 -7.893 4.846 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 -0.740 -7.172 5.511 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 -2.265 -10.486 13.364 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 -2.618 -9.822 13.995 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 -1.330 -10.198 13.216 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 10.489 -8.181 8.582 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 10.408 -7.296 8.221 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 9.746 -8.252 9.220 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 2.881 -9.010 9.265 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 2.050 -8.903 8.751 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 3.225 -9.882 8.983 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 -1.873 -8.284 3.037 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 -0.918 -8.124 2.909 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 -2.159 -7.546 3.610 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 6.777 -10.473 9.378 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 6.748 -11.061 8.605 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 6.154 -10.887 10.016 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.480 -11.055 11.632 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 9.965 -11.151 12.480 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.250 -11.970 11.384 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 2.303 -9.335 1.557 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 3.259 -9.128 1.410 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 2.313 -10.212 1.962 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 1.712 -2.633 25.996 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 1.136 -2.078 26.581 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 1.458 -2.365 25.090 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 -0.362 1.448 27.941 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 -1.025 1.929 27.438 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 0.165 2.135 28.361 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 -0.656 -5.260 24.588 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 -0.734 -4.698 25.398 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 0.220 -5.018 24.216 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 4.397 -2.480 25.907 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 3.418 -2.538 26.037 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 4.754 -2.498 26.803 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 2.032 -11.114 27.393 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 1.538 -11.633 28.058 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 2.677 -11.754 27.016 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 2.581 -8.638 26.591 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 2.351 -9.522 26.979 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 2.486 -8.012 27.353 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 5.604 -14.257 27.562 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 5.653 -15.158 27.167 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.502 -14.081 27.858 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 13.271 -11.688 21.074 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 12.790 -10.858 20.879 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 12.597 -12.262 21.483 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 0.238 -1.200 27.693 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 0.023 -0.245 27.772 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 -0.257 -1.618 28.427 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 5.063 -10.014 25.966 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 4.730 -10.930 26.092 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 4.397 -9.458 26.400 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.415 -8.597 20.048 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.248 -7.913 19.371 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 7.579 -9.116 20.074 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 1.842 -4.328 28.180 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 1.809 -3.831 27.337 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 1.298 -3.807 28.783 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 1.592 -1.802 23.337 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 1.114 -1.240 22.715 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 2.505 -1.436 23.339 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 3.531 -10.459 20.000 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 2.897 -9.726 19.856 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 3.029 -11.262 19.761 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 1.205 -6.850 22.081 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 1.560 -6.006 22.438 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 0.273 -6.638 21.853 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 4.486 -4.481 24.042 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 4.570 -3.839 24.779 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 5.101 -5.207 24.284 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 4.213 -3.061 21.687 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 4.221 -2.212 22.169 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 4.409 -3.729 22.380 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 5.869 -3.804 19.554 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 5.267 -3.752 18.790 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 5.335 -3.477 20.302 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 10.056 -8.207 22.107 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 9.395 -8.370 21.389 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 10.228 -7.261 22.056 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 2.239 -6.964 28.735 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 2.312 -6.910 29.693 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 2.074 -6.032 28.456 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 9.170 -8.845 24.656 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 9.470 -8.656 23.743 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 9.984 -8.752 25.199 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 4.211 -1.030 23.570 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 4.889 -0.346 23.544 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 4.371 -1.496 24.422 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 7.839 -11.172 25.004 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 7.157 -11.011 25.672 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 8.351 -10.327 24.974 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 4.130 -6.521 21.410 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 3.691 -6.954 22.163 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.088 -6.640 21.591 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 1.779 -4.578 23.473 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 2.722 -4.682 23.728 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 1.676 -3.613 23.333 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 -1.122 -2.705 29.532 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 -1.082 -3.639 29.853 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 -1.646 -2.250 30.200 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 -1.247 -4.044 26.971 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 -1.162 -3.353 27.652 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 -1.231 -4.881 27.476 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 -1.009 -5.358 30.144 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 -0.742 -6.049 30.783 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 -1.314 -5.863 29.363 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 6.089 -6.742 24.428 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 6.421 -6.799 23.500 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 6.708 -7.292 24.931 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 11.665 -9.594 20.350 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 11.154 -9.264 21.120 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 11.948 -8.769 19.882 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 2.454 -4.650 20.293 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 2.957 -5.421 20.643 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 2.856 -3.883 20.748 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.784 -6.998 21.816 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 7.159 -6.577 21.011 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 6.804 -7.951 21.612 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 17.756 -27.530 25.560 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 17.291 -28.350 25.298 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 18.679 -27.800 25.640 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 16.464 -22.864 25.408 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 16.872 -22.086 25.010 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 15.554 -22.570 25.630 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 14.686 -21.939 28.872 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 14.048 -22.596 29.249 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 14.477 -21.113 29.346 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.939 -22.176 26.278 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 14.225 -21.973 27.201 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 13.444 -23.026 26.365 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.948 -26.078 22.920 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 12.734 -26.351 23.433 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 11.583 -26.919 22.574 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 14.861 -29.033 25.669 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 15.490 -29.453 25.044 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 14.937 -29.571 26.481 1.00 0.00 WAT1 END