REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1167.8, 62.6205, 76.3679, 34.6326, 402.242, -343.646, -1402.48, 2.13757, 0.323718 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.724089E-03,0.447661,1.15414,42.9975,4.195281E-03,0.234048 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 26, 8 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:05 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.956 2.243 3.313 1.00 44.15 ATOM 2 CB MET 1 3.002 4.314 3.889 1.00 5.31 ATOM 3 HB1 MET 1 2.302 4.149 4.695 1.00 38.16 ATOM 4 HB2 MET 1 2.786 5.267 3.428 1.00 71.22 ATOM 5 CG MET 1 4.404 4.381 4.479 1.00 50.23 ATOM 6 HG1 MET 1 4.638 3.425 4.927 1.00 38.16 ATOM 7 HG2 MET 1 4.425 5.148 5.239 1.00 42.24 ATOM 8 SD MET 1 5.659 4.761 3.237 1.00 0.54 ATOM 9 CE MET 1 7.137 4.831 4.247 1.00 54.02 ATOM 10 HE1 MET 1 7.016 5.584 5.012 1.00 52.42 ATOM 11 HE2 MET 1 7.984 5.082 3.627 1.00 64.43 ATOM 12 HE3 MET 1 7.304 3.869 4.710 1.00 53.34 ATOM 13 C MET 1 1.400 3.278 2.264 1.00 3.11 ATOM 14 O MET 1 0.917 4.361 1.927 1.00 33.12 ATOM 15 N MET 1 3.834 3.342 1.760 1.00 23.24 ATOM 16 HT1 MET 1 3.749 2.555 1.086 1.00 38.16 ATOM 17 HT2 MET 1 4.795 3.332 2.159 1.00 38.16 ATOM 18 HT3 MET 1 3.695 4.238 1.247 1.00 38.16 ATOM 19 CA MET 1 2.820 3.206 2.841 1.00 32.35 ATOM 20 N GLY 2 0.729 2.132 2.158 1.00 71.55 ATOM 21 HN GLY 2 1.141 1.301 2.480 1.00 38.16 ATOM 22 CA GLY 2 -0.606 2.101 1.567 1.00 63.14 ATOM 23 HA1 GLY 2 -0.517 1.790 0.536 1.00 38.16 ATOM 24 HA2 GLY 2 -1.023 3.099 1.590 1.00 71.54 ATOM 25 C GLY 2 -1.572 1.156 2.277 1.00 42.23 ATOM 26 O GLY 2 -1.157 0.175 2.898 1.00 10.23 ATOM 27 N HIS 3 -2.866 1.458 2.180 1.00 70.43 ATOM 28 HN HIS 3 -3.124 2.281 1.703 1.00 38.16 ATOM 29 CA HIS 3 -3.923 0.620 2.768 1.00 30.52 ATOM 30 HA HIS 3 -3.448 -0.147 3.364 1.00 52.54 ATOM 31 CB HIS 3 -4.825 1.471 3.679 1.00 55.55 ATOM 32 HB1 HIS 3 -5.694 0.892 3.957 1.00 38.16 ATOM 33 HB2 HIS 3 -5.145 2.351 3.139 1.00 40.22 ATOM 34 CG HIS 3 -4.153 1.927 4.940 1.00 11.44 ATOM 35 ND1 HIS 3 -4.703 1.752 6.194 1.00 74.42 ATOM 36 HD1 HIS 3 -5.575 1.345 6.389 1.00 34.24 ATOM 37 CD2 HIS 3 -2.969 2.554 5.142 1.00 22.21 ATOM 38 HD2 HIS 3 -2.263 2.851 4.381 1.00 14.33 ATOM 39 CE1 HIS 3 -3.889 2.244 7.104 1.00 2.22 ATOM 40 HE1 HIS 3 -4.059 2.241 8.171 1.00 2.41 ATOM 41 NE2 HIS 3 -2.832 2.737 6.495 1.00 62.44 ATOM 42 HE2 HIS 3 -2.019 3.054 6.947 1.00 38.16 ATOM 43 C HIS 3 -4.767 -0.065 1.675 1.00 51.24 ATOM 44 O HIS 3 -5.932 -0.400 1.891 1.00 3.11 ATOM 45 N HIS 4 -4.153 -0.307 0.517 1.00 5.02 ATOM 46 HN HIS 4 -3.208 -0.065 0.428 1.00 38.16 ATOM 47 CA HIS 4 -4.839 -0.938 -0.625 1.00 21.44 ATOM 48 HA HIS 4 -5.827 -0.504 -0.694 1.00 25.13 ATOM 49 CB HIS 4 -4.074 -0.629 -1.922 1.00 51.41 ATOM 50 HB1 HIS 4 -4.133 0.433 -2.118 1.00 38.16 ATOM 51 HB2 HIS 4 -4.536 -1.162 -2.738 1.00 32.22 ATOM 52 CG HIS 4 -2.620 -1.012 -1.890 1.00 15.42 ATOM 53 ND1 HIS 4 -1.613 -0.119 -1.594 1.00 33.33 ATOM 54 HD1 HIS 4 -1.735 0.832 -1.389 1.00 2.03 ATOM 55 CD2 HIS 4 -2.004 -2.198 -2.124 1.00 22.44 ATOM 56 HD2 HIS 4 -2.486 -3.131 -2.383 1.00 73.24 ATOM 57 CE1 HIS 4 -0.448 -0.735 -1.647 1.00 1.11 ATOM 58 HE1 HIS 4 0.515 -0.281 -1.462 1.00 5.45 ATOM 59 NE2 HIS 4 -0.656 -1.996 -1.965 1.00 13.42 ATOM 60 HE2 HIS 4 0.015 -2.708 -1.887 1.00 38.16 ATOM 61 C HIS 4 -4.989 -2.463 -0.435 1.00 12.43 ATOM 62 O HIS 4 -4.699 -3.250 -1.338 1.00 4.13 ATOM 63 N HIS 5 -5.473 -2.863 0.737 1.00 40.40 ATOM 64 HN HIS 5 -5.732 -2.185 1.391 1.00 38.16 ATOM 65 CA HIS 5 -5.630 -4.280 1.087 1.00 20.41 ATOM 66 HA HIS 5 -4.674 -4.765 0.948 1.00 22.42 ATOM 67 CB HIS 5 -6.041 -4.406 2.560 1.00 42.25 ATOM 68 HB1 HIS 5 -5.356 -3.832 3.169 1.00 38.16 ATOM 69 HB2 HIS 5 -5.989 -5.444 2.854 1.00 65.52 ATOM 70 CG HIS 5 -7.434 -3.915 2.842 1.00 52.13 ATOM 71 ND1 HIS 5 -8.413 -4.717 3.383 1.00 32.43 ATOM 72 HD1 HIS 5 -8.302 -5.653 3.650 1.00 61.23 ATOM 73 CD2 HIS 5 -8.011 -2.702 2.657 1.00 64.15 ATOM 74 HD2 HIS 5 -7.536 -1.822 2.246 1.00 55.02 ATOM 75 CE1 HIS 5 -9.526 -4.026 3.516 1.00 10.22 ATOM 76 HE1 HIS 5 -10.458 -4.401 3.916 1.00 52.32 ATOM 77 NE2 HIS 5 -9.310 -2.802 3.084 1.00 75.12 ATOM 78 HE2 HIS 5 -10.012 -2.133 2.927 1.00 38.16 ATOM 79 C HIS 5 -6.681 -4.983 0.204 1.00 0.01 ATOM 80 O HIS 5 -7.631 -4.356 -0.266 1.00 33.15 ATOM 81 N HIS 6 -6.507 -6.285 -0.009 1.00 33.33 ATOM 82 HN HIS 6 -5.694 -6.719 0.337 1.00 38.16 ATOM 83 CA HIS 6 -7.485 -7.100 -0.743 1.00 4.14 ATOM 84 HA HIS 6 -8.370 -6.498 -0.905 1.00 42.13 ATOM 85 CB HIS 6 -6.914 -7.532 -2.104 1.00 23.11 ATOM 86 HB1 HIS 6 -7.624 -8.184 -2.594 1.00 38.16 ATOM 87 HB2 HIS 6 -5.991 -8.070 -1.946 1.00 33.13 ATOM 88 CG HIS 6 -6.627 -6.383 -3.027 1.00 34.42 ATOM 89 ND1 HIS 6 -7.501 -5.972 -4.009 1.00 44.32 ATOM 90 HD1 HIS 6 -8.369 -6.381 -4.212 1.00 4.50 ATOM 91 CD2 HIS 6 -5.560 -5.551 -3.111 1.00 73.44 ATOM 92 HD2 HIS 6 -4.674 -5.580 -2.492 1.00 10.32 ATOM 93 CE1 HIS 6 -6.990 -4.943 -4.652 1.00 41.31 ATOM 94 HE1 HIS 6 -7.459 -4.415 -5.469 1.00 73.53 ATOM 95 NE2 HIS 6 -5.814 -4.665 -4.129 1.00 74.44 ATOM 96 HE2 HIS 6 -5.313 -3.837 -4.294 1.00 38.16 ATOM 97 C HIS 6 -7.880 -8.334 0.082 1.00 44.14 ATOM 98 O HIS 6 -7.138 -8.760 0.965 1.00 53.35 ATOM 99 N HIS 7 -9.049 -8.899 -0.198 1.00 13.11 ATOM 100 HN HIS 7 -9.606 -8.517 -0.911 1.00 38.16 ATOM 101 CA HIS 7 -9.526 -10.077 0.535 1.00 42.45 ATOM 102 HA HIS 7 -9.510 -9.831 1.587 1.00 3.44 ATOM 103 CB HIS 7 -10.967 -10.410 0.133 1.00 3.42 ATOM 104 HB1 HIS 7 -11.251 -11.351 0.582 1.00 38.16 ATOM 105 HB2 HIS 7 -11.024 -10.497 -0.942 1.00 41.23 ATOM 106 CG HIS 7 -11.962 -9.374 0.565 1.00 62.00 ATOM 107 ND1 HIS 7 -12.488 -8.430 -0.288 1.00 10.40 ATOM 108 HD1 HIS 7 -12.278 -8.339 -1.243 1.00 71.43 ATOM 109 CD2 HIS 7 -12.527 -9.137 1.773 1.00 21.31 ATOM 110 HD2 HIS 7 -12.346 -9.687 2.685 1.00 33.20 ATOM 111 CE1 HIS 7 -13.328 -7.662 0.371 1.00 21.04 ATOM 112 HE1 HIS 7 -13.885 -6.836 -0.044 1.00 74.40 ATOM 113 NE2 HIS 7 -13.373 -8.067 1.622 1.00 25.33 ATOM 114 HE2 HIS 7 -13.750 -7.542 2.362 1.00 38.16 ATOM 115 C HIS 7 -8.616 -11.298 0.306 1.00 30.32 ATOM 116 O HIS 7 -8.467 -11.777 -0.821 1.00 61.04 ATOM 117 N HIS 8 -8.016 -11.798 1.384 1.00 11.52 ATOM 118 HN HIS 8 -8.195 -11.390 2.258 1.00 38.16 ATOM 119 CA HIS 8 -7.109 -12.948 1.308 1.00 31.21 ATOM 120 HA HIS 8 -6.555 -12.871 0.381 1.00 45.03 ATOM 121 CB HIS 8 -6.113 -12.922 2.481 1.00 54.41 ATOM 122 HB1 HIS 8 -5.453 -13.774 2.406 1.00 38.16 ATOM 123 HB2 HIS 8 -6.657 -12.977 3.411 1.00 73.12 ATOM 124 CG HIS 8 -5.265 -11.685 2.518 1.00 1.23 ATOM 125 ND1 HIS 8 -3.925 -11.679 2.202 1.00 2.53 ATOM 126 HD1 HIS 8 -3.395 -12.462 1.941 1.00 31.21 ATOM 127 CD2 HIS 8 -5.574 -10.405 2.833 1.00 61.13 ATOM 128 HD2 HIS 8 -6.545 -10.035 3.133 1.00 32.31 ATOM 129 CE1 HIS 8 -3.450 -10.457 2.317 1.00 13.01 ATOM 130 HE1 HIS 8 -2.429 -10.157 2.130 1.00 31.32 ATOM 131 NE2 HIS 8 -4.428 -9.663 2.697 1.00 51.53 ATOM 132 HE2 HIS 8 -4.398 -8.684 2.654 1.00 38.16 ATOM 133 C HIS 8 -7.892 -14.271 1.293 1.00 4.35 ATOM 134 O HIS 8 -7.981 -14.973 2.302 1.00 15.25 ATOM 135 N SER 9 -8.479 -14.584 0.140 1.00 64.32 ATOM 136 HN SER 9 -8.388 -13.971 -0.618 1.00 38.16 ATOM 137 CA SER 9 -9.266 -15.810 -0.031 1.00 61.10 ATOM 138 HA SER 9 -9.918 -15.905 0.827 1.00 41.41 ATOM 139 CB SER 9 -10.128 -15.713 -1.298 1.00 52.31 ATOM 140 HB1 SER 9 -10.712 -16.616 -1.408 1.00 38.16 ATOM 141 HB2 SER 9 -9.486 -15.593 -2.160 1.00 72.33 ATOM 142 OG SER 9 -11.015 -14.603 -1.234 1.00 72.31 ATOM 143 HG SER 9 -11.802 -14.794 -1.761 1.00 72.42 ATOM 144 C SER 9 -8.363 -17.047 -0.102 1.00 70.51 ATOM 145 O SER 9 -7.648 -17.250 -1.087 1.00 51.11 ATOM 146 N HIS 10 -8.400 -17.863 0.952 1.00 60.35 ATOM 147 HN HIS 10 -9.027 -17.660 1.680 1.00 38.16 ATOM 148 CA HIS 10 -7.547 -19.052 1.064 1.00 3.31 ATOM 149 HA HIS 10 -7.699 -19.464 2.052 1.00 12.05 ATOM 150 CB HIS 10 -7.952 -20.111 0.026 1.00 21.31 ATOM 151 HB1 HIS 10 -7.841 -19.693 -0.964 1.00 38.16 ATOM 152 HB2 HIS 10 -8.986 -20.381 0.180 1.00 21.11 ATOM 153 CG HIS 10 -7.132 -21.367 0.091 1.00 64.43 ATOM 154 ND1 HIS 10 -5.924 -21.515 -0.558 1.00 65.45 ATOM 155 HD1 HIS 10 -5.488 -20.839 -1.125 1.00 34.14 ATOM 156 CD2 HIS 10 -7.345 -22.532 0.743 1.00 31.43 ATOM 157 HD2 HIS 10 -8.199 -22.777 1.357 1.00 62.44 ATOM 158 CE1 HIS 10 -5.435 -22.711 -0.308 1.00 74.30 ATOM 159 HE1 HIS 10 -4.501 -23.103 -0.682 1.00 11.10 ATOM 160 NE2 HIS 10 -6.276 -23.345 0.478 1.00 72.40 ATOM 161 HE2 HIS 10 -6.098 -24.210 0.911 1.00 38.16 ATOM 162 C HIS 10 -6.056 -18.696 0.911 1.00 2.24 ATOM 163 O HIS 10 -5.459 -18.918 -0.144 1.00 64.24 ATOM 164 N PRO 11 -5.443 -18.106 1.951 1.00 75.22 ATOM 165 CA PRO 11 -4.006 -17.797 1.938 1.00 64.10 ATOM 166 HA PRO 11 -3.739 -17.214 1.066 1.00 64.13 ATOM 167 CB PRO 11 -3.812 -16.948 3.205 1.00 30.22 ATOM 168 HB1 PRO 11 -3.849 -15.899 2.948 1.00 38.16 ATOM 169 HB2 PRO 11 -2.854 -17.175 3.656 1.00 72.20 ATOM 170 CG PRO 11 -4.944 -17.326 4.104 1.00 73.44 ATOM 171 HG1 PRO 11 -5.205 -16.491 4.740 1.00 38.16 ATOM 172 HG2 PRO 11 -4.670 -18.183 4.705 1.00 12.32 ATOM 173 CD PRO 11 -6.097 -17.673 3.200 1.00 62.11 ATOM 174 HD1 PRO 11 -6.717 -16.805 3.029 1.00 38.16 ATOM 175 HD2 PRO 11 -6.682 -18.476 3.626 1.00 5.11 ATOM 176 C PRO 11 -3.139 -19.068 1.982 1.00 34.43 ATOM 177 O PRO 11 -3.435 -20.010 2.726 1.00 40.42 ATOM 178 N ASN 12 -2.079 -19.091 1.173 1.00 72.34 ATOM 179 HN ASN 12 -1.922 -18.326 0.581 1.00 38.16 ATOM 180 CA ASN 12 -1.155 -20.233 1.116 1.00 53.10 ATOM 181 HA ASN 12 -1.732 -21.110 0.862 1.00 42.54 ATOM 182 CB ASN 12 -0.105 -19.999 0.023 1.00 42.04 ATOM 183 HB1 ASN 12 0.550 -20.857 -0.028 1.00 38.16 ATOM 184 HB2 ASN 12 0.477 -19.123 0.272 1.00 4.40 ATOM 185 CG ASN 12 -0.727 -19.784 -1.347 1.00 52.34 ATOM 186 OD1 ASN 12 -1.824 -19.251 -1.471 1.00 22.53 ATOM 187 ND2 ASN 12 -0.038 -20.204 -2.385 1.00 44.11 ATOM 188 HD21 ASN 12 0.828 -20.630 -2.226 1.00 1.23 ATOM 189 HD22 ASN 12 -0.420 -20.066 -3.276 1.00 52.03 ATOM 190 C ASN 12 -0.465 -20.474 2.471 1.00 55.41 ATOM 191 O ASN 12 -0.584 -19.660 3.386 1.00 61.31 ATOM 192 N GLU 13 0.277 -21.582 2.583 1.00 14.43 ATOM 193 HN GLU 13 0.424 -22.137 1.788 1.00 38.16 ATOM 194 CA GLU 13 0.885 -21.994 3.860 1.00 13.20 ATOM 195 HA GLU 13 0.082 -22.306 4.514 1.00 34.42 ATOM 196 CB GLU 13 1.831 -23.185 3.644 1.00 31.12 ATOM 197 HB1 GLU 13 2.633 -22.878 2.988 1.00 38.16 ATOM 198 HB2 GLU 13 1.281 -23.987 3.171 1.00 32.33 ATOM 199 CG GLU 13 2.448 -23.724 4.933 1.00 24.35 ATOM 200 HG1 GLU 13 1.652 -24.030 5.598 1.00 38.16 ATOM 201 HG2 GLU 13 3.019 -22.935 5.402 1.00 44.14 ATOM 202 CD GLU 13 3.363 -24.913 4.690 1.00 32.14 ATOM 203 OE1 GLU 13 2.851 -26.004 4.365 1.00 20.04 ATOM 204 OE2 GLU 13 4.599 -24.762 4.809 1.00 13.41 ATOM 205 C GLU 13 1.645 -20.841 4.540 1.00 70.23 ATOM 206 O GLU 13 1.324 -20.455 5.663 1.00 34.13 ATOM 207 N GLU 14 2.632 -20.279 3.842 1.00 11.12 ATOM 208 HN GLU 14 2.812 -20.600 2.935 1.00 38.16 ATOM 209 CA GLU 14 3.457 -19.191 4.391 1.00 42.43 ATOM 210 HA GLU 14 3.951 -19.568 5.276 1.00 31.20 ATOM 211 CB GLU 14 4.527 -18.747 3.376 1.00 52.30 ATOM 212 HB1 GLU 14 5.102 -17.942 3.814 1.00 38.16 ATOM 213 HB2 GLU 14 4.031 -18.374 2.491 1.00 60.13 ATOM 214 CG GLU 14 5.504 -19.847 2.944 1.00 42.05 ATOM 215 HG1 GLU 14 5.826 -20.385 3.826 1.00 38.16 ATOM 216 HG2 GLU 14 6.362 -19.381 2.482 1.00 55.40 ATOM 217 CD GLU 14 4.915 -20.844 1.954 1.00 61.22 ATOM 218 OE1 GLU 14 5.472 -21.949 1.817 1.00 25.21 ATOM 219 OE2 GLU 14 3.899 -20.525 1.294 1.00 63.53 ATOM 220 C GLU 14 2.599 -17.975 4.786 1.00 42.51 ATOM 221 O GLU 14 2.803 -17.372 5.844 1.00 22.22 ATOM 222 N ALA 15 1.635 -17.632 3.930 1.00 52.12 ATOM 223 HN ALA 15 1.500 -18.181 3.130 1.00 38.16 ATOM 224 CA ALA 15 0.771 -16.464 4.145 1.00 74.42 ATOM 225 HA ALA 15 1.409 -15.608 4.315 1.00 12.05 ATOM 226 CB ALA 15 -0.053 -16.191 2.889 1.00 32.25 ATOM 227 HB1 ALA 15 -0.635 -15.290 3.025 1.00 51.51 ATOM 228 HB2 ALA 15 -0.717 -17.023 2.703 1.00 50.03 ATOM 229 HB3 ALA 15 0.610 -16.065 2.045 1.00 23.02 ATOM 230 C ALA 15 -0.153 -16.640 5.362 1.00 72.34 ATOM 231 O ALA 15 -0.249 -15.756 6.216 1.00 74.02 ATOM 232 N ARG 16 -0.840 -17.779 5.434 1.00 22.32 ATOM 233 HN ARG 16 -0.723 -18.449 4.729 1.00 38.16 ATOM 234 CA ARG 16 -1.764 -18.053 6.539 1.00 73.41 ATOM 235 HA ARG 16 -2.373 -17.169 6.673 1.00 54.34 ATOM 236 CB ARG 16 -2.689 -19.231 6.193 1.00 74.20 ATOM 237 HB1 ARG 16 -3.180 -19.016 5.254 1.00 38.16 ATOM 238 HB2 ARG 16 -3.444 -19.317 6.963 1.00 43.44 ATOM 239 CG ARG 16 -1.993 -20.584 6.064 1.00 1.15 ATOM 240 HG1 ARG 16 -1.673 -20.911 7.043 1.00 38.16 ATOM 241 HG2 ARG 16 -1.132 -20.476 5.420 1.00 0.43 ATOM 242 CD ARG 16 -2.930 -21.634 5.470 1.00 32.34 ATOM 243 HD1 ARG 16 -2.468 -22.606 5.569 1.00 38.16 ATOM 244 HD2 ARG 16 -3.079 -21.415 4.422 1.00 14.43 ATOM 245 NE ARG 16 -4.229 -21.654 6.147 1.00 73.53 ATOM 246 HE ARG 16 -4.246 -21.946 7.077 1.00 12.44 ATOM 247 CZ ARG 16 -5.357 -21.295 5.587 1.00 14.45 ATOM 248 NH1 ARG 16 -5.396 -20.922 4.346 1.00 21.23 ATOM 249 HH11 ARG 16 -4.557 -20.906 3.801 1.00 64.24 ATOM 250 HH12 ARG 16 -6.265 -20.652 3.937 1.00 12.41 ATOM 251 NH2 ARG 16 -6.454 -21.311 6.271 1.00 0.23 ATOM 252 HH21 ARG 16 -6.446 -21.598 7.225 1.00 30.21 ATOM 253 HH22 ARG 16 -7.307 -21.035 5.839 1.00 31.34 ATOM 254 C ARG 16 -1.005 -18.311 7.848 1.00 21.42 ATOM 255 O ARG 16 -1.437 -17.888 8.918 1.00 73.42 ATOM 256 N LEU 17 0.138 -18.990 7.752 1.00 72.13 ATOM 257 HN LEU 17 0.406 -19.348 6.878 1.00 38.16 ATOM 258 CA LEU 17 1.009 -19.218 8.911 1.00 41.01 ATOM 259 HA LEU 17 0.458 -19.803 9.635 1.00 70.42 ATOM 260 CB LEU 17 2.255 -20.001 8.472 1.00 51.40 ATOM 261 HB1 LEU 17 2.755 -19.428 7.703 1.00 38.16 ATOM 262 HB2 LEU 17 1.927 -20.935 8.037 1.00 4.50 ATOM 263 CG LEU 17 3.278 -20.317 9.575 1.00 11.14 ATOM 264 HG LEU 17 3.647 -19.389 9.992 1.00 44.34 ATOM 265 CD1 LEU 17 2.632 -21.111 10.704 1.00 0.11 ATOM 266 HD11 LEU 17 2.250 -22.046 10.319 1.00 25.01 ATOM 267 HD12 LEU 17 1.820 -20.538 11.129 1.00 23.13 ATOM 268 HD13 LEU 17 3.367 -21.311 11.469 1.00 22.12 ATOM 269 CD2 LEU 17 4.470 -21.078 8.997 1.00 4.14 ATOM 270 HD21 LEU 17 5.185 -21.281 9.783 1.00 31.43 ATOM 271 HD22 LEU 17 4.941 -20.481 8.231 1.00 74.33 ATOM 272 HD23 LEU 17 4.132 -22.012 8.570 1.00 14.52 ATOM 273 C LEU 17 1.412 -17.880 9.552 1.00 2.25 ATOM 274 O LEU 17 1.499 -17.757 10.777 1.00 74.03 ATOM 275 N ASP 18 1.645 -16.881 8.704 1.00 65.24 ATOM 276 HN ASP 18 1.634 -17.069 7.741 1.00 38.16 ATOM 277 CA ASP 18 1.927 -15.516 9.155 1.00 22.42 ATOM 278 HA ASP 18 2.813 -15.547 9.773 1.00 75.13 ATOM 279 CB ASP 18 2.200 -14.626 7.935 1.00 62.32 ATOM 280 HB1 ASP 18 1.339 -14.651 7.282 1.00 38.16 ATOM 281 HB2 ASP 18 3.056 -15.015 7.400 1.00 75.22 ATOM 282 CG ASP 18 2.484 -13.181 8.304 1.00 43.14 ATOM 283 OD1 ASP 18 3.569 -12.907 8.857 1.00 34.44 ATOM 284 OD2 ASP 18 1.632 -12.310 8.022 1.00 13.54 ATOM 285 C ASP 18 0.759 -14.951 9.987 1.00 2.11 ATOM 286 O ASP 18 0.971 -14.298 11.013 1.00 52.41 ATOM 287 N ILE 19 -0.472 -15.224 9.543 1.00 21.10 ATOM 288 HN ILE 19 -0.571 -15.749 8.720 1.00 38.16 ATOM 289 CA ILE 19 -1.681 -14.764 10.245 1.00 35.32 ATOM 290 HA ILE 19 -1.637 -13.684 10.304 1.00 15.54 ATOM 291 CB ILE 19 -2.969 -15.155 9.471 1.00 54.04 ATOM 292 HB ILE 19 -3.017 -16.235 9.424 1.00 14.41 ATOM 293 CG1 ILE 19 -2.923 -14.595 8.038 1.00 75.42 ATOM 294 HG11 ILE 19 -2.039 -14.968 7.542 1.00 38.16 ATOM 295 HG12 ILE 19 -2.876 -13.516 8.079 1.00 74.32 ATOM 296 CG2 ILE 19 -4.216 -14.661 10.209 1.00 54.22 ATOM 297 HG21 ILE 19 -4.249 -15.098 11.197 1.00 62.24 ATOM 298 HG22 ILE 19 -5.101 -14.950 9.661 1.00 10.21 ATOM 299 HG23 ILE 19 -4.183 -13.584 10.294 1.00 63.12 ATOM 300 CD1 ILE 19 -4.122 -14.970 7.188 1.00 54.53 ATOM 301 HD11 ILE 19 -4.199 -16.046 7.125 1.00 22.45 ATOM 302 HD12 ILE 19 -4.001 -14.561 6.196 1.00 62.14 ATOM 303 HD13 ILE 19 -5.021 -14.570 7.633 1.00 24.53 ATOM 304 C ILE 19 -1.751 -15.333 11.674 1.00 14.14 ATOM 305 O ILE 19 -2.021 -14.598 12.636 1.00 33.45 ATOM 306 N LEU 20 -1.503 -16.640 11.816 1.00 24.42 ATOM 307 HN LEU 20 -1.350 -17.189 11.017 1.00 38.16 ATOM 308 CA LEU 20 -1.456 -17.264 13.144 1.00 25.45 ATOM 309 HA LEU 20 -2.432 -17.138 13.594 1.00 44.52 ATOM 310 CB LEU 20 -1.138 -18.770 13.070 1.00 61.55 ATOM 311 HB1 LEU 20 -0.867 -19.104 14.063 1.00 38.16 ATOM 312 HB2 LEU 20 -0.280 -18.900 12.425 1.00 34.41 ATOM 313 CG LEU 20 -2.277 -19.676 12.552 1.00 65.05 ATOM 314 HG LEU 20 -3.225 -19.213 12.793 1.00 12.40 ATOM 315 CD1 LEU 20 -2.220 -19.831 11.036 1.00 64.02 ATOM 316 HD11 LEU 20 -2.316 -18.860 10.571 1.00 14.32 ATOM 317 HD12 LEU 20 -3.030 -20.466 10.706 1.00 10.21 ATOM 318 HD13 LEU 20 -1.277 -20.275 10.750 1.00 65.44 ATOM 319 CD2 LEU 20 -2.243 -21.040 13.241 1.00 72.44 ATOM 320 HD21 LEU 20 -1.314 -21.542 13.008 1.00 70.44 ATOM 321 HD22 LEU 20 -3.074 -21.639 12.897 1.00 23.11 ATOM 322 HD23 LEU 20 -2.320 -20.905 14.311 1.00 61.22 ATOM 323 C LEU 20 -0.423 -16.565 14.034 1.00 0.51 ATOM 324 O LEU 20 -0.704 -16.249 15.185 1.00 31.53 ATOM 325 N LYS 21 0.767 -16.315 13.491 1.00 72.52 ATOM 326 HN LYS 21 0.941 -16.611 12.570 1.00 38.16 ATOM 327 CA LYS 21 1.827 -15.613 14.232 1.00 4.34 ATOM 328 HA LYS 21 2.098 -16.230 15.078 1.00 13.42 ATOM 329 CB LYS 21 3.062 -15.421 13.342 1.00 32.24 ATOM 330 HB1 LYS 21 3.794 -14.839 13.884 1.00 38.16 ATOM 331 HB2 LYS 21 2.769 -14.875 12.456 1.00 21.13 ATOM 332 CG LYS 21 3.720 -16.726 12.904 1.00 64.42 ATOM 333 HG1 LYS 21 2.972 -17.355 12.441 1.00 38.16 ATOM 334 HG2 LYS 21 4.124 -17.225 13.773 1.00 21.41 ATOM 335 CD LYS 21 4.848 -16.478 11.905 1.00 3.24 ATOM 336 HD1 LYS 21 5.561 -15.793 12.343 1.00 38.16 ATOM 337 HD2 LYS 21 4.432 -16.040 11.008 1.00 72.33 ATOM 338 CE LYS 21 5.568 -17.769 11.532 1.00 72.43 ATOM 339 HE1 LYS 21 6.276 -17.556 10.744 1.00 38.16 ATOM 340 HE2 LYS 21 4.839 -18.485 11.176 1.00 14.13 ATOM 341 NZ LYS 21 6.293 -18.356 12.690 1.00 32.13 ATOM 342 HZ1 LYS 21 5.628 -18.586 13.456 1.00 72.24 ATOM 343 HZ2 LYS 21 6.999 -17.684 13.049 1.00 61.23 ATOM 344 HZ3 LYS 21 6.783 -19.224 12.401 1.00 11.30 ATOM 345 C LYS 21 1.347 -14.247 14.754 1.00 73.34 ATOM 346 O LYS 21 1.565 -13.908 15.918 1.00 31.42 ATOM 347 N ILE 22 0.681 -13.480 13.888 1.00 75.40 ATOM 348 HN ILE 22 0.516 -13.824 12.982 1.00 38.16 ATOM 349 CA ILE 22 0.189 -12.138 14.239 1.00 1.14 ATOM 350 HA ILE 22 1.051 -11.512 14.435 1.00 31.24 ATOM 351 CB ILE 22 -0.613 -11.507 13.064 1.00 51.43 ATOM 352 HB ILE 22 -1.421 -12.181 12.813 1.00 73.22 ATOM 353 CG1 ILE 22 0.286 -11.332 11.829 1.00 22.32 ATOM 354 HG11 ILE 22 0.718 -12.288 11.568 1.00 38.16 ATOM 355 HG12 ILE 22 1.082 -10.638 12.063 1.00 53.32 ATOM 356 CG2 ILE 22 -1.232 -10.168 13.474 1.00 30.05 ATOM 357 HG21 ILE 22 -1.893 -10.317 14.316 1.00 12.42 ATOM 358 HG22 ILE 22 -1.794 -9.761 12.647 1.00 51.13 ATOM 359 HG23 ILE 22 -0.449 -9.476 13.752 1.00 53.23 ATOM 360 CD1 ILE 22 -0.441 -10.803 10.608 1.00 55.43 ATOM 361 HD11 ILE 22 0.249 -10.740 9.778 1.00 74.43 ATOM 362 HD12 ILE 22 -0.838 -9.820 10.819 1.00 43.30 ATOM 363 HD13 ILE 22 -1.249 -11.472 10.352 1.00 32.13 ATOM 364 C ILE 22 -0.699 -12.156 15.496 1.00 43.14 ATOM 365 O ILE 22 -0.577 -11.293 16.368 1.00 65.02 ATOM 366 N HIS 23 -1.602 -13.128 15.578 1.00 34.24 ATOM 367 HN HIS 23 -1.667 -13.787 14.848 1.00 38.16 ATOM 368 CA HIS 23 -2.500 -13.236 16.738 1.00 71.50 ATOM 369 HA HIS 23 -2.727 -12.229 17.064 1.00 34.03 ATOM 370 CB HIS 23 -3.811 -13.913 16.322 1.00 52.43 ATOM 371 HB1 HIS 23 -4.417 -14.089 17.201 1.00 38.16 ATOM 372 HB2 HIS 23 -3.589 -14.858 15.847 1.00 52.33 ATOM 373 CG HIS 23 -4.616 -13.089 15.362 1.00 33.23 ATOM 374 ND1 HIS 23 -5.531 -12.145 15.770 1.00 42.44 ATOM 375 HD1 HIS 23 -5.762 -11.933 16.704 1.00 42.34 ATOM 376 CD2 HIS 23 -4.628 -13.056 14.007 1.00 14.15 ATOM 377 HD2 HIS 23 -4.030 -13.668 13.344 1.00 44.24 ATOM 378 CE1 HIS 23 -6.070 -11.568 14.717 1.00 3.35 ATOM 379 HE1 HIS 23 -6.816 -10.786 14.736 1.00 64.34 ATOM 380 NE2 HIS 23 -5.541 -12.101 13.634 1.00 43.33 ATOM 381 HE2 HIS 23 -5.648 -11.740 12.727 1.00 38.16 ATOM 382 C HIS 23 -1.853 -13.986 17.920 1.00 72.01 ATOM 383 O HIS 23 -1.888 -13.518 19.059 1.00 3.33 ATOM 384 N SER 24 -1.234 -15.129 17.641 1.00 41.31 ATOM 385 HN SER 24 -1.145 -15.401 16.707 1.00 38.16 ATOM 386 CA SER 24 -0.688 -16.003 18.698 1.00 23.33 ATOM 387 HA SER 24 -1.481 -16.179 19.412 1.00 25.22 ATOM 388 CB SER 24 -0.253 -17.355 18.118 1.00 62.20 ATOM 389 HB1 SER 24 -1.080 -17.793 17.580 1.00 38.16 ATOM 390 HB2 SER 24 0.041 -18.013 18.922 1.00 24.13 ATOM 391 OG SER 24 0.843 -17.210 17.225 1.00 74.15 ATOM 392 HG SER 24 0.508 -17.118 16.326 1.00 55.30 ATOM 393 C SER 24 0.496 -15.368 19.445 1.00 74.21 ATOM 394 O SER 24 0.868 -15.827 20.526 1.00 11.31 ATOM 395 N ARG 25 1.089 -14.318 18.880 1.00 50.12 ATOM 396 HN ARG 25 0.774 -14.005 18.005 1.00 38.16 ATOM 397 CA ARG 25 2.224 -13.639 19.524 1.00 73.24 ATOM 398 HA ARG 25 2.946 -14.405 19.774 1.00 74.45 ATOM 399 CB ARG 25 2.890 -12.653 18.548 1.00 21.01 ATOM 400 HB1 ARG 25 3.291 -13.213 17.715 1.00 38.16 ATOM 401 HB2 ARG 25 3.703 -12.156 19.052 1.00 30.55 ATOM 402 CG ARG 25 1.958 -11.583 17.991 1.00 34.10 ATOM 403 HG1 ARG 25 1.639 -10.940 18.799 1.00 38.16 ATOM 404 HG2 ARG 25 1.095 -12.064 17.552 1.00 52.22 ATOM 405 CD ARG 25 2.649 -10.736 16.925 1.00 14.13 ATOM 406 HD1 ARG 25 3.058 -11.395 16.169 1.00 38.16 ATOM 407 HD2 ARG 25 3.454 -10.184 17.388 1.00 13.34 ATOM 408 NE ARG 25 1.733 -9.791 16.285 1.00 12.23 ATOM 409 HE ARG 25 0.817 -9.747 16.626 1.00 5.52 ATOM 410 CZ ARG 25 2.057 -9.012 15.286 1.00 22.03 ATOM 411 NH1 ARG 25 3.251 -9.026 14.790 1.00 75.22 ATOM 412 HH11 ARG 25 3.945 -9.636 15.170 1.00 24.14 ATOM 413 HH12 ARG 25 3.472 -8.436 14.015 1.00 32.13 ATOM 414 NH2 ARG 25 1.183 -8.209 14.781 1.00 23.41 ATOM 415 HH21 ARG 25 0.256 -8.182 15.151 1.00 40.54 ATOM 416 HH22 ARG 25 1.440 -7.611 14.023 1.00 63.12 ATOM 417 C ARG 25 1.815 -12.931 20.837 1.00 74.02 ATOM 418 O ARG 25 2.676 -12.548 21.636 1.00 1.25 ATOM 419 N LYS 26 0.506 -12.760 21.061 1.00 10.20 ATOM 420 HN LYS 26 -0.133 -12.995 20.353 1.00 38.16 ATOM 421 CA LYS 26 -0.002 -12.217 22.336 1.00 22.12 ATOM 422 HA LYS 26 0.770 -11.591 22.760 1.00 73.30 ATOM 423 CB LYS 26 -1.267 -11.364 22.118 1.00 14.11 ATOM 424 HB1 LYS 26 -1.724 -11.175 23.080 1.00 38.16 ATOM 425 HB2 LYS 26 -1.962 -11.929 21.513 1.00 43.54 ATOM 426 CG LYS 26 -1.033 -10.017 21.433 1.00 14.43 ATOM 427 HG1 LYS 26 -0.204 -9.518 21.919 1.00 38.16 ATOM 428 HG2 LYS 26 -1.923 -9.414 21.540 1.00 21.33 ATOM 429 CD LYS 26 -0.722 -10.163 19.948 1.00 24.21 ATOM 430 HD1 LYS 26 -1.540 -10.682 19.468 1.00 38.16 ATOM 431 HD2 LYS 26 0.187 -10.737 19.832 1.00 71.32 ATOM 432 CE LYS 26 -0.536 -8.807 19.279 1.00 51.42 ATOM 433 HE1 LYS 26 -0.286 -8.963 18.239 1.00 38.16 ATOM 434 HE2 LYS 26 0.273 -8.286 19.768 1.00 73.35 ATOM 435 NZ LYS 26 -1.766 -7.974 19.362 1.00 52.43 ATOM 436 HZ1 LYS 26 -1.600 -7.044 18.927 1.00 54.53 ATOM 437 HZ2 LYS 26 -2.035 -7.829 20.356 1.00 20.15 ATOM 438 HZ3 LYS 26 -2.554 -8.440 18.869 1.00 70.03 ATOM 439 C LYS 26 -0.327 -13.340 23.341 1.00 51.10 ATOM 440 O LYS 26 -0.710 -13.076 24.483 1.00 14.22 ATOM 441 N MET 27 -0.173 -14.589 22.914 1.00 55.12 ATOM 442 HN MET 27 0.185 -14.741 22.015 1.00 38.16 ATOM 443 CA MET 27 -0.522 -15.751 23.741 1.00 24.23 ATOM 444 HA MET 27 -1.042 -15.401 24.622 1.00 63.33 ATOM 445 CB MET 27 -1.455 -16.674 22.942 1.00 32.02 ATOM 446 HB1 MET 27 -1.745 -17.506 23.569 1.00 38.16 ATOM 447 HB2 MET 27 -0.919 -17.052 22.083 1.00 61.23 ATOM 448 CG MET 27 -2.723 -15.986 22.444 1.00 33.44 ATOM 449 HG1 MET 27 -2.452 -15.043 21.989 1.00 38.16 ATOM 450 HG2 MET 27 -3.373 -15.800 23.288 1.00 24.20 ATOM 451 SD MET 27 -3.624 -16.972 21.228 1.00 2.30 ATOM 452 CE MET 27 -3.912 -18.484 22.145 1.00 71.21 ATOM 453 HE1 MET 27 -2.964 -18.929 22.412 1.00 43.00 ATOM 454 HE2 MET 27 -4.473 -19.175 21.533 1.00 70.44 ATOM 455 HE3 MET 27 -4.470 -18.261 23.042 1.00 11.42 ATOM 456 C MET 27 0.732 -16.532 24.175 1.00 72.22 ATOM 457 O MET 27 1.707 -16.621 23.431 1.00 73.44 ATOM 458 N ASN 28 0.707 -17.093 25.384 1.00 34.40 ATOM 459 HN ASN 28 -0.048 -16.917 25.980 1.00 38.16 ATOM 460 CA ASN 28 1.795 -17.968 25.839 1.00 34.45 ATOM 461 HA ASN 28 2.732 -17.456 25.670 1.00 60.31 ATOM 462 CB ASN 28 1.659 -18.286 27.334 1.00 4.41 ATOM 463 HB1 ASN 28 2.473 -18.933 27.632 1.00 38.16 ATOM 464 HB2 ASN 28 0.723 -18.799 27.501 1.00 34.24 ATOM 465 CG ASN 28 1.687 -17.052 28.215 1.00 50.44 ATOM 466 OD1 ASN 28 2.286 -16.037 27.875 1.00 41.44 ATOM 467 ND2 ASN 28 1.045 -17.134 29.363 1.00 33.32 ATOM 468 HD21 ASN 28 0.586 -17.974 29.577 1.00 33.45 ATOM 469 HD22 ASN 28 1.069 -16.361 29.960 1.00 54.31 ATOM 470 C ASN 28 1.791 -19.279 25.042 1.00 3.54 ATOM 471 O ASN 28 0.950 -20.140 25.272 1.00 75.30 ATOM 472 N LEU 29 2.713 -19.421 24.097 1.00 22.03 ATOM 473 HN LEU 29 3.370 -18.708 23.958 1.00 38.16 ATOM 474 CA LEU 29 2.768 -20.623 23.254 1.00 65.12 ATOM 475 HA LEU 29 1.786 -21.075 23.259 1.00 5.34 ATOM 476 CB LEU 29 3.128 -20.247 21.811 1.00 32.45 ATOM 477 HB1 LEU 29 3.172 -21.155 21.226 1.00 38.16 ATOM 478 HB2 LEU 29 4.111 -19.795 21.816 1.00 15.45 ATOM 479 CG LEU 29 2.156 -19.279 21.122 1.00 40.50 ATOM 480 HG LEU 29 2.164 -18.336 21.652 1.00 41.13 ATOM 481 CD1 LEU 29 2.598 -19.007 19.687 1.00 65.12 ATOM 482 HD11 LEU 29 3.600 -18.601 19.690 1.00 64.53 ATOM 483 HD12 LEU 29 1.926 -18.296 19.231 1.00 44.45 ATOM 484 HD13 LEU 29 2.585 -19.929 19.122 1.00 51.44 ATOM 485 CD2 LEU 29 0.728 -19.826 21.160 1.00 60.51 ATOM 486 HD21 LEU 29 0.696 -20.793 20.678 1.00 0.14 ATOM 487 HD22 LEU 29 0.067 -19.145 20.644 1.00 24.51 ATOM 488 HD23 LEU 29 0.407 -19.926 22.187 1.00 32.34 ATOM 489 C LEU 29 3.780 -21.643 23.784 1.00 73.03 ATOM 490 O LEU 29 4.769 -21.282 24.426 1.00 31.25 ATOM 491 N THR 30 3.522 -22.921 23.524 1.00 33.23 ATOM 492 HN THR 30 2.668 -23.160 23.101 1.00 38.16 ATOM 493 CA THR 30 4.477 -23.980 23.871 1.00 73.40 ATOM 494 HA THR 30 4.815 -23.794 24.882 1.00 34.24 ATOM 495 CB THR 30 3.829 -25.387 23.837 1.00 14.42 ATOM 496 HB THR 30 2.994 -25.392 24.523 1.00 5.03 ATOM 497 OG1 THR 30 4.780 -26.379 24.258 1.00 72.12 ATOM 498 HG1 THR 30 5.105 -26.861 23.482 1.00 53.54 ATOM 499 CG2 THR 30 3.308 -25.735 22.445 1.00 75.42 ATOM 500 HG21 THR 30 2.558 -25.016 22.149 1.00 62.22 ATOM 501 HG22 THR 30 2.871 -26.723 22.461 1.00 10.32 ATOM 502 HG23 THR 30 4.125 -25.715 21.738 1.00 43.04 ATOM 503 C THR 30 5.696 -23.949 22.934 1.00 35.45 ATOM 504 O THR 30 5.561 -23.773 21.720 1.00 2.13 ATOM 505 N ARG 31 6.886 -24.100 23.505 1.00 43.23 ATOM 506 HN ARG 31 6.929 -24.275 24.469 1.00 38.16 ATOM 507 CA ARG 31 8.135 -24.009 22.737 1.00 25.23 ATOM 508 HA ARG 31 8.128 -23.058 22.225 1.00 45.03 ATOM 509 CB ARG 31 9.334 -24.040 23.694 1.00 73.02 ATOM 510 HB1 ARG 31 10.246 -24.068 23.114 1.00 38.16 ATOM 511 HB2 ARG 31 9.276 -24.934 24.300 1.00 62.42 ATOM 512 CG ARG 31 9.396 -22.831 24.626 1.00 20.21 ATOM 513 HG1 ARG 31 8.453 -22.748 25.150 1.00 38.16 ATOM 514 HG2 ARG 31 9.556 -21.940 24.034 1.00 33.22 ATOM 515 CD ARG 31 10.520 -22.952 25.650 1.00 61.32 ATOM 516 HD1 ARG 31 10.641 -21.998 26.146 1.00 38.16 ATOM 517 HD2 ARG 31 11.437 -23.203 25.134 1.00 22.12 ATOM 518 NE ARG 31 10.244 -23.976 26.656 1.00 50.12 ATOM 519 HE ARG 31 9.327 -24.043 26.993 1.00 54.35 ATOM 520 CZ ARG 31 11.146 -24.777 27.160 1.00 61.20 ATOM 521 NH1 ARG 31 12.365 -24.761 26.721 1.00 63.24 ATOM 522 HH11 ARG 31 12.627 -24.136 25.987 1.00 51.44 ATOM 523 HH12 ARG 31 13.045 -25.366 27.126 1.00 51.25 ATOM 524 NH2 ARG 31 10.821 -25.600 28.101 1.00 22.43 ATOM 525 HH21 ARG 31 9.884 -25.621 28.442 1.00 63.03 ATOM 526 HH22 ARG 31 11.509 -26.210 28.489 1.00 50.04 ATOM 527 C ARG 31 8.253 -25.128 21.687 1.00 0.30 ATOM 528 O ARG 31 8.266 -26.313 22.023 1.00 15.13 ATOM 529 N GLY 32 8.335 -24.739 20.412 1.00 71.35 ATOM 530 HN GLY 32 8.320 -23.781 20.201 1.00 38.16 ATOM 531 CA GLY 32 8.450 -25.714 19.329 1.00 73.20 ATOM 532 HA1 GLY 32 8.962 -26.593 19.700 1.00 38.16 ATOM 533 HA2 GLY 32 9.044 -25.280 18.537 1.00 41.31 ATOM 534 C GLY 32 7.099 -26.138 18.750 1.00 13.12 ATOM 535 O GLY 32 7.004 -27.159 18.066 1.00 73.13 ATOM 536 N ILE 33 6.057 -25.354 19.030 1.00 3.43 ATOM 537 HN ILE 33 6.197 -24.570 19.603 1.00 38.16 ATOM 538 CA ILE 33 4.702 -25.628 18.527 1.00 4.01 ATOM 539 HA ILE 33 4.397 -26.591 18.914 1.00 44.43 ATOM 540 CB ILE 33 3.702 -24.561 19.053 1.00 5.54 ATOM 541 HB ILE 33 3.684 -24.634 20.131 1.00 23.14 ATOM 542 CG1 ILE 33 2.284 -24.820 18.518 1.00 42.24 ATOM 543 HG11 ILE 33 1.985 -25.824 18.783 1.00 38.16 ATOM 544 HG12 ILE 33 2.285 -24.723 17.442 1.00 2.44 ATOM 545 CG2 ILE 33 4.167 -23.148 18.695 1.00 41.05 ATOM 546 HG21 ILE 33 5.153 -22.978 19.105 1.00 30.53 ATOM 547 HG22 ILE 33 3.479 -22.425 19.108 1.00 1.22 ATOM 548 HG23 ILE 33 4.201 -23.039 17.620 1.00 52.01 ATOM 549 CD1 ILE 33 1.244 -23.864 19.067 1.00 34.13 ATOM 550 HD11 ILE 33 1.208 -23.949 20.144 1.00 74.15 ATOM 551 HD12 ILE 33 0.277 -24.110 18.656 1.00 45.42 ATOM 552 HD13 ILE 33 1.504 -22.851 18.794 1.00 5.00 ATOM 553 C ILE 33 4.651 -25.673 16.985 1.00 34.22 ATOM 554 O ILE 33 5.126 -24.760 16.308 1.00 5.44 ATOM 555 N ASN 34 4.072 -26.742 16.433 1.00 42.14 ATOM 556 HN ASN 34 3.707 -27.443 17.014 1.00 38.16 ATOM 557 CA ASN 34 3.968 -26.891 14.976 1.00 21.01 ATOM 558 HA ASN 34 4.795 -26.354 14.532 1.00 53.03 ATOM 559 CB ASN 34 4.070 -28.368 14.567 1.00 73.21 ATOM 560 HB1 ASN 34 3.199 -28.895 14.933 1.00 38.16 ATOM 561 HB2 ASN 34 4.955 -28.801 15.004 1.00 22.32 ATOM 562 CG ASN 34 4.142 -28.543 13.062 1.00 23.01 ATOM 563 OD1 ASN 34 4.673 -27.697 12.353 1.00 61.11 ATOM 564 ND2 ASN 34 3.609 -29.638 12.561 1.00 42.41 ATOM 565 HD21 ASN 34 3.200 -30.277 13.178 1.00 30.35 ATOM 566 HD22 ASN 34 3.646 -29.765 11.590 1.00 22.41 ATOM 567 C ASN 34 2.655 -26.295 14.442 1.00 64.24 ATOM 568 O ASN 34 1.613 -26.954 14.438 1.00 24.53 ATOM 569 N LEU 35 2.710 -25.046 13.997 1.00 1.50 ATOM 570 HN LEU 35 3.555 -24.554 14.071 1.00 38.16 ATOM 571 CA LEU 35 1.548 -24.384 13.395 1.00 12.00 ATOM 572 HA LEU 35 0.670 -24.693 13.945 1.00 13.41 ATOM 573 CB LEU 35 1.688 -22.858 13.505 1.00 61.33 ATOM 574 HB1 LEU 35 0.859 -22.401 12.982 1.00 38.16 ATOM 575 HB2 LEU 35 2.604 -22.567 13.010 1.00 33.50 ATOM 576 CG LEU 35 1.716 -22.301 14.939 1.00 74.23 ATOM 577 HG LEU 35 2.545 -22.744 15.472 1.00 45.42 ATOM 578 CD1 LEU 35 1.925 -20.788 14.929 1.00 72.45 ATOM 579 HD11 LEU 35 2.870 -20.558 14.459 1.00 13.22 ATOM 580 HD12 LEU 35 1.929 -20.417 15.943 1.00 13.32 ATOM 581 HD13 LEU 35 1.125 -20.315 14.376 1.00 51.54 ATOM 582 CD2 LEU 35 0.432 -22.664 15.682 1.00 54.33 ATOM 583 HD21 LEU 35 -0.418 -22.241 15.166 1.00 53.24 ATOM 584 HD22 LEU 35 0.474 -22.271 16.688 1.00 60.55 ATOM 585 HD23 LEU 35 0.330 -23.739 15.723 1.00 55.21 ATOM 586 C LEU 35 1.374 -24.806 11.925 1.00 62.40 ATOM 587 O LEU 35 0.330 -24.560 11.314 1.00 13.20 ATOM 588 N ARG 36 2.403 -25.448 11.369 1.00 1.20 ATOM 589 HN ARG 36 3.229 -25.553 11.888 1.00 38.16 ATOM 590 CA ARG 36 2.347 -25.980 10.004 1.00 24.44 ATOM 591 HA ARG 36 2.169 -25.148 9.338 1.00 52.12 ATOM 592 CB ARG 36 3.687 -26.634 9.635 1.00 62.23 ATOM 593 HB1 ARG 36 3.896 -27.418 10.348 1.00 38.16 ATOM 594 HB2 ARG 36 4.466 -25.888 9.701 1.00 75.33 ATOM 595 CG ARG 36 3.723 -27.240 8.235 1.00 3.23 ATOM 596 HG1 ARG 36 3.503 -26.467 7.512 1.00 38.16 ATOM 597 HG2 ARG 36 2.975 -28.018 8.170 1.00 1.23 ATOM 598 CD ARG 36 5.087 -27.843 7.919 1.00 0.22 ATOM 599 HD1 ARG 36 5.334 -28.564 8.686 1.00 38.16 ATOM 600 HD2 ARG 36 5.825 -27.053 7.919 1.00 12.50 ATOM 601 NE ARG 36 5.105 -28.509 6.619 1.00 73.41 ATOM 602 HE ARG 36 4.245 -28.736 6.218 1.00 72.23 ATOM 603 CZ ARG 36 6.191 -28.822 5.969 1.00 33.15 ATOM 604 NH1 ARG 36 7.354 -28.518 6.449 1.00 72.23 ATOM 605 HH11 ARG 36 7.423 -28.038 7.320 1.00 5.14 ATOM 606 HH12 ARG 36 8.181 -28.761 5.946 1.00 54.41 ATOM 607 NH2 ARG 36 6.111 -29.426 4.827 1.00 33.52 ATOM 608 HH21 ARG 36 5.217 -29.651 4.444 1.00 53.22 ATOM 609 HH22 ARG 36 6.944 -29.663 4.329 1.00 51.41 ATOM 610 C ARG 36 1.198 -26.989 9.850 1.00 74.01 ATOM 611 O ARG 36 0.437 -26.928 8.883 1.00 53.31 ATOM 612 N LYS 37 1.068 -27.913 10.808 1.00 65.22 ATOM 613 HN LYS 37 1.754 -27.980 11.504 1.00 38.16 ATOM 614 CA LYS 37 -0.072 -28.840 10.826 1.00 70.42 ATOM 615 HA LYS 37 -0.016 -29.453 9.937 1.00 23.31 ATOM 616 CB LYS 37 -0.040 -29.750 12.064 1.00 10.32 ATOM 617 HB1 LYS 37 0.053 -29.139 12.953 1.00 38.16 ATOM 618 HB2 LYS 37 0.818 -30.405 11.996 1.00 23.30 ATOM 619 CG LYS 37 -1.302 -30.610 12.189 1.00 5.35 ATOM 620 HG1 LYS 37 -1.201 -31.471 11.540 1.00 38.16 ATOM 621 HG2 LYS 37 -2.155 -30.029 11.872 1.00 35.12 ATOM 622 CD LYS 37 -1.554 -31.094 13.609 1.00 44.22 ATOM 623 HD1 LYS 37 -2.561 -31.484 13.667 1.00 38.16 ATOM 624 HD2 LYS 37 -1.460 -30.250 14.280 1.00 12.03 ATOM 625 CE LYS 37 -0.572 -32.178 14.040 1.00 4.23 ATOM 626 HE1 LYS 37 0.404 -31.733 14.173 1.00 38.16 ATOM 627 HE2 LYS 37 -0.522 -32.933 13.269 1.00 4.33 ATOM 628 NZ LYS 37 -0.988 -32.820 15.316 1.00 40.24 ATOM 629 HZ1 LYS 37 -0.245 -33.463 15.655 1.00 75.42 ATOM 630 HZ2 LYS 37 -1.859 -33.371 15.169 1.00 24.23 ATOM 631 HZ3 LYS 37 -1.169 -32.098 16.043 1.00 71.24 ATOM 632 C LYS 37 -1.398 -28.070 10.818 1.00 44.01 ATOM 633 O LYS 37 -2.321 -28.398 10.074 1.00 20.22 ATOM 634 N ILE 38 -1.483 -27.053 11.667 1.00 51.14 ATOM 635 HN ILE 38 -0.731 -26.879 12.272 1.00 38.16 ATOM 636 CA ILE 38 -2.673 -26.202 11.746 1.00 12.53 ATOM 637 HA ILE 38 -3.497 -26.823 12.074 1.00 44.44 ATOM 638 CB ILE 38 -2.473 -25.064 12.781 1.00 72.40 ATOM 639 HB ILE 38 -1.751 -24.368 12.378 1.00 74.55 ATOM 640 CG1 ILE 38 -1.929 -25.630 14.107 1.00 0.20 ATOM 641 HG11 ILE 38 -1.875 -24.832 14.836 1.00 38.16 ATOM 642 HG12 ILE 38 -0.937 -26.022 13.940 1.00 62.53 ATOM 643 CG2 ILE 38 -3.776 -24.302 13.014 1.00 25.22 ATOM 644 HG21 ILE 38 -4.109 -23.865 12.084 1.00 12.34 ATOM 645 HG22 ILE 38 -3.613 -23.519 13.740 1.00 73.25 ATOM 646 HG23 ILE 38 -4.532 -24.981 13.383 1.00 54.55 ATOM 647 CD1 ILE 38 -2.768 -26.744 14.696 1.00 13.00 ATOM 648 HD11 ILE 38 -3.770 -26.385 14.880 1.00 34.13 ATOM 649 HD12 ILE 38 -2.327 -27.071 15.625 1.00 72.50 ATOM 650 HD13 ILE 38 -2.803 -27.572 14.004 1.00 20.14 ATOM 651 C ILE 38 -3.018 -25.594 10.370 1.00 24.41 ATOM 652 O ILE 38 -4.188 -25.406 10.037 1.00 71.42 ATOM 653 N ALA 39 -1.988 -25.293 9.577 1.00 4.33 ATOM 654 HN ALA 39 -1.077 -25.380 9.929 1.00 38.16 ATOM 655 CA ALA 39 -2.175 -24.825 8.198 1.00 61.14 ATOM 656 HA ALA 39 -2.942 -24.060 8.209 1.00 33.11 ATOM 657 CB ALA 39 -0.885 -24.194 7.675 1.00 44.02 ATOM 658 HB1 ALA 39 -0.116 -24.949 7.611 1.00 32.44 ATOM 659 HB2 ALA 39 -0.566 -23.412 8.349 1.00 42.15 ATOM 660 HB3 ALA 39 -1.059 -23.773 6.695 1.00 73.04 ATOM 661 C ALA 39 -2.630 -25.972 7.272 1.00 41.15 ATOM 662 O ALA 39 -3.432 -25.764 6.361 1.00 33.14 ATOM 663 N GLU 40 -2.108 -27.179 7.514 1.00 25.42 ATOM 664 HN GLU 40 -1.424 -27.266 8.213 1.00 38.16 ATOM 665 CA GLU 40 -2.514 -28.382 6.764 1.00 74.14 ATOM 666 HA GLU 40 -2.294 -28.212 5.718 1.00 2.11 ATOM 667 CB GLU 40 -1.715 -29.606 7.250 1.00 53.11 ATOM 668 HB1 GLU 40 -2.149 -30.498 6.817 1.00 38.16 ATOM 669 HB2 GLU 40 -1.801 -29.669 8.326 1.00 41.21 ATOM 670 CG GLU 40 -0.231 -29.579 6.895 1.00 11.21 ATOM 671 HG1 GLU 40 0.283 -30.316 7.498 1.00 38.16 ATOM 672 HG2 GLU 40 0.165 -28.598 7.120 1.00 31.23 ATOM 673 CD GLU 40 0.025 -29.885 5.429 1.00 70.42 ATOM 674 OE1 GLU 40 0.093 -31.079 5.070 1.00 34.14 ATOM 675 OE2 GLU 40 0.162 -28.938 4.624 1.00 5.30 ATOM 676 C GLU 40 -4.019 -28.670 6.921 1.00 2.25 ATOM 677 O GLU 40 -4.702 -29.036 5.961 1.00 21.01 ATOM 678 N LEU 41 -4.527 -28.484 8.137 1.00 72.34 ATOM 679 HN LEU 41 -3.942 -28.131 8.841 1.00 38.16 ATOM 680 CA LEU 41 -5.929 -28.790 8.465 1.00 74.14 ATOM 681 HA LEU 41 -6.197 -29.704 7.958 1.00 41.15 ATOM 682 CB LEU 41 -6.066 -29.007 9.981 1.00 33.33 ATOM 683 HB1 LEU 41 -7.098 -29.248 10.196 1.00 38.16 ATOM 684 HB2 LEU 41 -5.823 -28.077 10.480 1.00 32.23 ATOM 685 CG LEU 41 -5.180 -30.117 10.577 1.00 31.22 ATOM 686 HG LEU 41 -4.143 -29.881 10.379 1.00 1.13 ATOM 687 CD1 LEU 41 -5.355 -30.194 12.093 1.00 63.32 ATOM 688 HD11 LEU 41 -4.727 -30.980 12.490 1.00 65.34 ATOM 689 HD12 LEU 41 -6.388 -30.405 12.330 1.00 72.52 ATOM 690 HD13 LEU 41 -5.070 -29.251 12.536 1.00 63.12 ATOM 691 CD2 LEU 41 -5.487 -31.465 9.926 1.00 5.35 ATOM 692 HD21 LEU 41 -4.865 -32.229 10.369 1.00 14.12 ATOM 693 HD22 LEU 41 -5.284 -31.408 8.867 1.00 44.30 ATOM 694 HD23 LEU 41 -6.528 -31.715 10.079 1.00 74.33 ATOM 695 C LEU 41 -6.891 -27.673 8.011 1.00 51.32 ATOM 696 O LEU 41 -8.001 -27.553 8.529 1.00 2.02 ATOM 697 N MET 42 -6.475 -26.881 7.022 1.00 13.15 ATOM 698 HN MET 42 -5.610 -27.064 6.600 1.00 38.16 ATOM 699 CA MET 42 -7.266 -25.736 6.548 1.00 63.44 ATOM 700 HA MET 42 -8.124 -25.630 7.198 1.00 31.24 ATOM 701 CB MET 42 -6.417 -24.463 6.648 1.00 43.41 ATOM 702 HB1 MET 42 -6.927 -23.662 6.131 1.00 38.16 ATOM 703 HB2 MET 42 -5.466 -24.640 6.166 1.00 54.11 ATOM 704 CG MET 42 -6.150 -24.011 8.075 1.00 70.54 ATOM 705 HG1 MET 42 -5.300 -23.345 8.079 1.00 38.16 ATOM 706 HG2 MET 42 -5.929 -24.877 8.682 1.00 41.55 ATOM 707 SD MET 42 -7.561 -23.151 8.791 1.00 54.02 ATOM 708 CE MET 42 -6.964 -22.842 10.451 1.00 60.25 ATOM 709 HE1 MET 42 -6.774 -23.784 10.946 1.00 53.43 ATOM 710 HE2 MET 42 -7.709 -22.289 11.002 1.00 44.11 ATOM 711 HE3 MET 42 -6.051 -22.267 10.405 1.00 53.55 ATOM 712 C MET 42 -7.767 -25.916 5.097 1.00 65.40 ATOM 713 O MET 42 -7.181 -25.369 4.159 1.00 14.31 ATOM 714 N PRO 43 -8.858 -26.682 4.885 1.00 24.34 ATOM 715 CA PRO 43 -9.451 -26.857 3.554 1.00 61.01 ATOM 716 HA PRO 43 -8.687 -26.966 2.795 1.00 20.32 ATOM 717 CB PRO 43 -10.221 -28.175 3.695 1.00 12.53 ATOM 718 HB1 PRO 43 -9.574 -29.004 3.445 1.00 38.16 ATOM 719 HB2 PRO 43 -11.080 -28.174 3.036 1.00 64.40 ATOM 720 CG PRO 43 -10.633 -28.223 5.132 1.00 24.32 ATOM 721 HG1 PRO 43 -10.670 -29.251 5.467 1.00 38.16 ATOM 722 HG2 PRO 43 -11.602 -27.759 5.249 1.00 32.32 ATOM 723 CD PRO 43 -9.587 -27.454 5.914 1.00 42.55 ATOM 724 HD1 PRO 43 -8.921 -28.135 6.424 1.00 38.16 ATOM 725 HD2 PRO 43 -10.060 -26.791 6.625 1.00 32.01 ATOM 726 C PRO 43 -10.389 -25.696 3.165 1.00 74.35 ATOM 727 O PRO 43 -11.536 -25.630 3.607 1.00 43.35 ATOM 728 N GLY 44 -9.879 -24.766 2.359 1.00 44.13 ATOM 729 HN GLY 44 -8.952 -24.860 2.051 1.00 38.16 ATOM 730 CA GLY 44 -10.678 -23.623 1.919 1.00 2.12 ATOM 731 HA1 GLY 44 -11.654 -23.977 1.616 1.00 38.16 ATOM 732 HA2 GLY 44 -10.195 -23.175 1.062 1.00 24.41 ATOM 733 C GLY 44 -10.858 -22.548 2.992 1.00 11.24 ATOM 734 O GLY 44 -11.701 -21.662 2.855 1.00 52.43 ATOM 735 N ALA 45 -10.060 -22.617 4.057 1.00 10.02 ATOM 736 HN ALA 45 -9.403 -23.341 4.111 1.00 38.16 ATOM 737 CA ALA 45 -10.149 -21.648 5.159 1.00 13.02 ATOM 738 HA ALA 45 -11.185 -21.353 5.263 1.00 63.51 ATOM 739 CB ALA 45 -9.720 -22.308 6.465 1.00 21.23 ATOM 740 HB1 ALA 45 -8.689 -22.626 6.387 1.00 71.15 ATOM 741 HB2 ALA 45 -10.346 -23.166 6.658 1.00 11.13 ATOM 742 HB3 ALA 45 -9.818 -21.602 7.278 1.00 31.43 ATOM 743 C ALA 45 -9.300 -20.393 4.894 1.00 13.24 ATOM 744 O ALA 45 -8.191 -20.480 4.352 1.00 0.42 ATOM 745 N SER 46 -9.814 -19.233 5.302 1.00 53.30 ATOM 746 HN SER 46 -10.691 -19.233 5.746 1.00 38.16 ATOM 747 CA SER 46 -9.117 -17.949 5.117 1.00 30.41 ATOM 748 HA SER 46 -8.207 -18.139 4.565 1.00 22.12 ATOM 749 CB SER 46 -9.994 -16.981 4.306 1.00 13.12 ATOM 750 HB1 SER 46 -9.464 -16.050 4.161 1.00 38.16 ATOM 751 HB2 SER 46 -10.913 -16.792 4.841 1.00 61.44 ATOM 752 OG SER 46 -10.315 -17.525 3.033 1.00 20.41 ATOM 753 HG SER 46 -11.169 -17.975 3.087 1.00 63.24 ATOM 754 C SER 46 -8.741 -17.317 6.469 1.00 5.51 ATOM 755 O SER 46 -8.841 -17.959 7.513 1.00 12.23 ATOM 756 N GLY 47 -8.301 -16.058 6.442 1.00 71.45 ATOM 757 HN GLY 47 -8.267 -15.580 5.587 1.00 38.16 ATOM 758 CA GLY 47 -7.862 -15.380 7.665 1.00 2.21 ATOM 759 HA1 GLY 47 -7.485 -14.405 7.396 1.00 38.16 ATOM 760 HA2 GLY 47 -7.055 -15.948 8.104 1.00 44.21 ATOM 761 C GLY 47 -8.960 -15.204 8.718 1.00 53.42 ATOM 762 O GLY 47 -8.681 -15.224 9.920 1.00 31.24 ATOM 763 N ALA 48 -10.204 -15.040 8.267 1.00 44.02 ATOM 764 HN ALA 48 -10.369 -15.094 7.304 1.00 38.16 ATOM 765 CA ALA 48 -11.338 -14.784 9.168 1.00 14.23 ATOM 766 HA ALA 48 -11.135 -13.861 9.695 1.00 32.33 ATOM 767 CB ALA 48 -12.616 -14.588 8.358 1.00 25.21 ATOM 768 HB1 ALA 48 -13.438 -14.366 9.024 1.00 31.10 ATOM 769 HB2 ALA 48 -12.836 -15.491 7.805 1.00 31.41 ATOM 770 HB3 ALA 48 -12.482 -13.769 7.667 1.00 2.25 ATOM 771 C ALA 48 -11.529 -15.907 10.202 1.00 5.41 ATOM 772 O ALA 48 -11.744 -15.646 11.389 1.00 72.41 ATOM 773 N GLU 49 -11.451 -17.153 9.743 1.00 61.31 ATOM 774 HN GLU 49 -11.292 -17.294 8.787 1.00 38.16 ATOM 775 CA GLU 49 -11.598 -18.319 10.624 1.00 45.55 ATOM 776 HA GLU 49 -12.306 -18.046 11.396 1.00 30.45 ATOM 777 CB GLU 49 -12.163 -19.535 9.858 1.00 72.11 ATOM 778 HB1 GLU 49 -13.230 -19.401 9.747 1.00 38.16 ATOM 779 HB2 GLU 49 -11.989 -20.426 10.445 1.00 40.12 ATOM 780 CG GLU 49 -11.569 -19.764 8.470 1.00 31.33 ATOM 781 HG1 GLU 49 -11.667 -20.811 8.218 1.00 38.16 ATOM 782 HG2 GLU 49 -10.519 -19.502 8.491 1.00 70.15 ATOM 783 CD GLU 49 -12.258 -18.939 7.392 1.00 44.34 ATOM 784 OE1 GLU 49 -13.305 -19.377 6.877 1.00 73.21 ATOM 785 OE2 GLU 49 -11.755 -17.855 7.043 1.00 24.45 ATOM 786 C GLU 49 -10.271 -18.683 11.311 1.00 13.41 ATOM 787 O GLU 49 -10.269 -19.195 12.431 1.00 13.22 ATOM 788 N VAL 50 -9.146 -18.413 10.647 1.00 13.54 ATOM 789 HN VAL 50 -9.203 -18.089 9.721 1.00 38.16 ATOM 790 CA VAL 50 -7.825 -18.597 11.267 1.00 4.44 ATOM 791 HA VAL 50 -7.723 -19.644 11.520 1.00 33.01 ATOM 792 CB VAL 50 -6.682 -18.218 10.289 1.00 72.34 ATOM 793 HB VAL 50 -6.889 -17.234 9.893 1.00 14.24 ATOM 794 CG1 VAL 50 -5.335 -18.171 11.008 1.00 45.04 ATOM 795 HG11 VAL 50 -5.118 -19.139 11.436 1.00 54.55 ATOM 796 HG12 VAL 50 -5.368 -17.430 11.794 1.00 31.42 ATOM 797 HG13 VAL 50 -4.559 -17.910 10.303 1.00 41.11 ATOM 798 CG2 VAL 50 -6.626 -19.203 9.121 1.00 65.31 ATOM 799 HG21 VAL 50 -7.578 -19.212 8.611 1.00 71.31 ATOM 800 HG22 VAL 50 -6.411 -20.194 9.494 1.00 63.31 ATOM 801 HG23 VAL 50 -5.851 -18.903 8.429 1.00 41.13 ATOM 802 C VAL 50 -7.706 -17.764 12.556 1.00 31.22 ATOM 803 O VAL 50 -7.220 -18.244 13.584 1.00 44.42 ATOM 804 N LYS 51 -8.167 -16.515 12.491 1.00 52.13 ATOM 805 HN LYS 51 -8.445 -16.158 11.619 1.00 38.16 ATOM 806 CA LYS 51 -8.260 -15.654 13.676 1.00 44.03 ATOM 807 HA LYS 51 -7.264 -15.540 14.081 1.00 12.24 ATOM 808 CB LYS 51 -8.796 -14.267 13.262 1.00 24.42 ATOM 809 HB1 LYS 51 -9.716 -14.404 12.709 1.00 38.16 ATOM 810 HB2 LYS 51 -8.071 -13.806 12.608 1.00 43.22 ATOM 811 CG LYS 51 -9.070 -13.295 14.418 1.00 2.41 ATOM 812 HG1 LYS 51 -8.947 -12.283 14.057 1.00 38.16 ATOM 813 HG2 LYS 51 -8.354 -13.479 15.207 1.00 44.32 ATOM 814 CD LYS 51 -10.480 -13.443 14.995 1.00 43.54 ATOM 815 HD1 LYS 51 -10.607 -12.725 15.794 1.00 38.16 ATOM 816 HD2 LYS 51 -10.596 -14.443 15.390 1.00 72.51 ATOM 817 CE LYS 51 -11.550 -13.199 13.936 1.00 12.15 ATOM 818 HE1 LYS 51 -11.412 -13.906 13.130 1.00 38.16 ATOM 819 HE2 LYS 51 -11.440 -12.197 13.555 1.00 53.34 ATOM 820 NZ LYS 51 -12.923 -13.356 14.480 1.00 23.32 ATOM 821 HZ1 LYS 51 -13.625 -13.112 13.753 1.00 31.21 ATOM 822 HZ2 LYS 51 -13.060 -12.731 15.299 1.00 53.30 ATOM 823 HZ3 LYS 51 -13.079 -14.340 14.779 1.00 61.15 ATOM 824 C LYS 51 -9.157 -16.305 14.745 1.00 61.31 ATOM 825 O LYS 51 -8.890 -16.214 15.948 1.00 63.00 ATOM 826 N GLY 52 -10.219 -16.968 14.291 1.00 22.13 ATOM 827 HN GLY 52 -10.406 -16.965 13.329 1.00 38.16 ATOM 828 CA GLY 52 -11.101 -17.699 15.195 1.00 51.32 ATOM 829 HA1 GLY 52 -11.926 -18.099 14.624 1.00 38.16 ATOM 830 HA2 GLY 52 -11.491 -17.012 15.936 1.00 42.31 ATOM 831 C GLY 52 -10.393 -18.851 15.909 1.00 72.24 ATOM 832 O GLY 52 -10.603 -19.068 17.100 1.00 35.31 ATOM 833 N VAL 53 -9.535 -19.574 15.182 1.00 34.41 ATOM 834 HN VAL 53 -9.401 -19.343 14.237 1.00 38.16 ATOM 835 CA VAL 53 -8.782 -20.703 15.748 1.00 61.52 ATOM 836 HA VAL 53 -9.499 -21.438 16.088 1.00 20.51 ATOM 837 CB VAL 53 -7.886 -21.366 14.673 1.00 33.42 ATOM 838 HB VAL 53 -7.238 -20.604 14.260 1.00 44.43 ATOM 839 CG1 VAL 53 -7.006 -22.460 15.279 1.00 52.14 ATOM 840 HG11 VAL 53 -6.364 -22.031 16.035 1.00 61.24 ATOM 841 HG12 VAL 53 -6.398 -22.906 14.504 1.00 35.30 ATOM 842 HG13 VAL 53 -7.631 -23.220 15.725 1.00 41.31 ATOM 843 CG2 VAL 53 -8.743 -21.925 13.539 1.00 23.51 ATOM 844 HG21 VAL 53 -9.445 -22.643 13.937 1.00 31.45 ATOM 845 HG22 VAL 53 -8.108 -22.410 12.812 1.00 51.51 ATOM 846 HG23 VAL 53 -9.282 -21.119 13.062 1.00 61.34 ATOM 847 C VAL 53 -7.912 -20.275 16.943 1.00 34.42 ATOM 848 O VAL 53 -7.940 -20.908 18.001 1.00 23.32 ATOM 849 N CYS 54 -7.144 -19.198 16.769 1.00 24.43 ATOM 850 HN CYS 54 -7.136 -18.755 15.893 1.00 38.16 ATOM 851 CA CYS 54 -6.311 -18.660 17.858 1.00 20.53 ATOM 852 HA CYS 54 -5.608 -19.429 18.147 1.00 10.04 ATOM 853 CB CYS 54 -5.534 -17.423 17.384 1.00 21.31 ATOM 854 HB1 CYS 54 -4.924 -17.054 18.197 1.00 38.16 ATOM 855 HB2 CYS 54 -6.235 -16.654 17.092 1.00 0.33 ATOM 856 SG CYS 54 -4.442 -17.728 15.974 1.00 42.43 ATOM 857 HG CYS 54 -4.492 -19.021 15.689 1.00 2.22 ATOM 858 C CYS 54 -7.174 -18.294 19.073 1.00 41.43 ATOM 859 O CYS 54 -6.790 -18.523 20.222 1.00 32.04 ATOM 860 N THR 55 -8.352 -17.739 18.799 1.00 30.44 ATOM 861 HN THR 55 -8.592 -17.581 17.862 1.00 38.16 ATOM 862 CA THR 55 -9.304 -17.354 19.848 1.00 51.24 ATOM 863 HA THR 55 -8.784 -16.710 20.544 1.00 0.43 ATOM 864 CB THR 55 -10.498 -16.564 19.255 1.00 1.04 ATOM 865 HB THR 55 -11.049 -17.218 18.592 1.00 1.31 ATOM 866 OG1 THR 55 -10.016 -15.436 18.500 1.00 1.24 ATOM 867 HG1 THR 55 -9.980 -15.669 17.564 1.00 43.24 ATOM 868 CG2 THR 55 -11.442 -16.075 20.351 1.00 4.41 ATOM 869 HG21 THR 55 -11.847 -16.922 20.886 1.00 3.52 ATOM 870 HG22 THR 55 -12.250 -15.513 19.904 1.00 11.15 ATOM 871 HG23 THR 55 -10.901 -15.440 21.037 1.00 23.10 ATOM 872 C THR 55 -9.837 -18.582 20.607 1.00 43.24 ATOM 873 O THR 55 -9.822 -18.615 21.839 1.00 2.34 ATOM 874 N GLU 56 -10.304 -19.591 19.863 1.00 34.33 ATOM 875 HN GLU 56 -10.328 -19.489 18.889 1.00 38.16 ATOM 876 CA GLU 56 -10.782 -20.849 20.457 1.00 44.15 ATOM 877 HA GLU 56 -11.633 -20.620 21.085 1.00 34.01 ATOM 878 CB GLU 56 -11.221 -21.828 19.355 1.00 20.12 ATOM 879 HB1 GLU 56 -11.458 -22.781 19.808 1.00 38.16 ATOM 880 HB2 GLU 56 -10.397 -21.966 18.669 1.00 2.04 ATOM 881 CG GLU 56 -12.433 -21.372 18.549 1.00 21.51 ATOM 882 HG1 GLU 56 -12.581 -22.060 17.726 1.00 38.16 ATOM 883 HG2 GLU 56 -12.235 -20.385 18.153 1.00 33.22 ATOM 884 CD GLU 56 -13.710 -21.321 19.373 1.00 4.34 ATOM 885 OE1 GLU 56 -14.293 -22.394 19.644 1.00 24.31 ATOM 886 OE2 GLU 56 -14.147 -20.209 19.738 1.00 42.33 ATOM 887 C GLU 56 -9.689 -21.504 21.314 1.00 74.42 ATOM 888 O GLU 56 -9.941 -21.930 22.442 1.00 33.05 ATOM 889 N ALA 57 -8.476 -21.570 20.766 1.00 34.11 ATOM 890 HN ALA 57 -8.352 -21.237 19.852 1.00 38.16 ATOM 891 CA ALA 57 -7.322 -22.129 21.481 1.00 33.42 ATOM 892 HA ALA 57 -7.521 -23.178 21.661 1.00 13.35 ATOM 893 CB ALA 57 -6.068 -22.027 20.617 1.00 45.13 ATOM 894 HB1 ALA 57 -6.239 -22.525 19.673 1.00 20.11 ATOM 895 HB2 ALA 57 -5.239 -22.498 21.126 1.00 2.51 ATOM 896 HB3 ALA 57 -5.836 -20.987 20.438 1.00 1.20 ATOM 897 C ALA 57 -7.105 -21.425 22.829 1.00 52.52 ATOM 898 O ALA 57 -6.900 -22.075 23.856 1.00 21.22 ATOM 899 N GLY 58 -7.160 -20.093 22.817 1.00 43.50 ATOM 900 HN GLY 58 -7.266 -19.624 21.960 1.00 38.16 ATOM 901 CA GLY 58 -7.059 -19.327 24.056 1.00 45.20 ATOM 902 HA1 GLY 58 -7.136 -18.275 23.820 1.00 38.16 ATOM 903 HA2 GLY 58 -6.094 -19.514 24.505 1.00 14.30 ATOM 904 C GLY 58 -8.152 -19.686 25.061 1.00 61.11 ATOM 905 O GLY 58 -7.890 -19.828 26.257 1.00 62.25 ATOM 906 N MET 59 -9.378 -19.847 24.567 1.00 45.01 ATOM 907 HN MET 59 -9.525 -19.707 23.606 1.00 38.16 ATOM 908 CA MET 59 -10.513 -20.231 25.415 1.00 64.44 ATOM 909 HA MET 59 -10.601 -19.492 26.197 1.00 62.42 ATOM 910 CB MET 59 -11.813 -20.247 24.595 1.00 2.52 ATOM 911 HB1 MET 59 -12.625 -20.552 25.240 1.00 38.16 ATOM 912 HB2 MET 59 -11.712 -20.972 23.799 1.00 63.42 ATOM 913 CG MET 59 -12.188 -18.904 23.966 1.00 52.33 ATOM 914 HG1 MET 59 -12.751 -19.092 23.061 1.00 38.16 ATOM 915 HG2 MET 59 -11.281 -18.376 23.711 1.00 52.14 ATOM 916 SD MET 59 -13.183 -17.842 25.046 1.00 44.02 ATOM 917 CE MET 59 -12.032 -17.435 26.357 1.00 13.04 ATOM 918 HE1 MET 59 -11.784 -18.329 26.907 1.00 72.12 ATOM 919 HE2 MET 59 -12.486 -16.716 27.023 1.00 65.55 ATOM 920 HE3 MET 59 -11.134 -17.013 25.930 1.00 62.42 ATOM 921 C MET 59 -10.286 -21.606 26.063 1.00 71.43 ATOM 922 O MET 59 -10.539 -21.789 27.256 1.00 22.22 ATOM 923 N TYR 60 -9.801 -22.564 25.271 1.00 71.42 ATOM 924 HN TYR 60 -9.627 -22.357 24.327 1.00 38.16 ATOM 925 CA TYR 60 -9.521 -23.917 25.770 1.00 2.22 ATOM 926 HA TYR 60 -10.436 -24.305 26.195 1.00 2.04 ATOM 927 CB TYR 60 -9.075 -24.838 24.626 1.00 30.41 ATOM 928 HB1 TYR 60 -8.942 -25.840 25.011 1.00 38.16 ATOM 929 HB2 TYR 60 -8.132 -24.483 24.235 1.00 75.44 ATOM 930 CG TYR 60 -10.057 -24.915 23.470 1.00 74.21 ATOM 931 CD1 TYR 60 -9.617 -25.210 22.185 1.00 53.34 ATOM 932 HD1 TYR 60 -8.564 -25.394 22.020 1.00 64.44 ATOM 933 CD2 TYR 60 -11.416 -24.678 23.660 1.00 22.50 ATOM 934 HD2 TYR 60 -11.776 -24.448 24.652 1.00 14.14 ATOM 935 CE1 TYR 60 -10.500 -25.274 21.125 1.00 50.22 ATOM 936 HE1 TYR 60 -10.137 -25.507 20.135 1.00 24.50 ATOM 937 CE2 TYR 60 -12.305 -24.741 22.605 1.00 21.14 ATOM 938 HE2 TYR 60 -13.356 -24.558 22.774 1.00 61.21 ATOM 939 CZ TYR 60 -11.843 -25.036 21.340 1.00 43.14 ATOM 940 OH TYR 60 -12.727 -25.092 20.284 1.00 55.41 ATOM 941 HH TYR 60 -13.238 -24.271 20.249 1.00 30.43 ATOM 942 C TYR 60 -8.448 -23.890 26.866 1.00 64.24 ATOM 943 O TYR 60 -8.589 -24.532 27.908 1.00 53.12 ATOM 944 N ALA 61 -7.378 -23.137 26.623 1.00 3.31 ATOM 945 HN ALA 61 -7.292 -22.700 25.747 1.00 38.16 ATOM 946 CA ALA 61 -6.320 -22.960 27.616 1.00 15.44 ATOM 947 HA ALA 61 -5.886 -23.932 27.814 1.00 44.24 ATOM 948 CB ALA 61 -5.227 -22.059 27.058 1.00 72.21 ATOM 949 HB1 ALA 61 -4.415 -21.992 27.769 1.00 20.52 ATOM 950 HB2 ALA 61 -5.629 -21.073 26.878 1.00 60.32 ATOM 951 HB3 ALA 61 -4.857 -22.471 26.129 1.00 11.15 ATOM 952 C ALA 61 -6.875 -22.386 28.930 1.00 64.15 ATOM 953 O ALA 61 -6.643 -22.933 30.006 1.00 33.23 ATOM 954 N LEU 62 -7.631 -21.293 28.830 1.00 11.45 ATOM 955 HN LEU 62 -7.803 -20.916 27.940 1.00 38.16 ATOM 956 CA LEU 62 -8.206 -20.633 30.011 1.00 20.33 ATOM 957 HA LEU 62 -7.383 -20.346 30.650 1.00 64.54 ATOM 958 CB LEU 62 -8.966 -19.362 29.601 1.00 33.24 ATOM 959 HB1 LEU 62 -9.448 -18.957 30.479 1.00 38.16 ATOM 960 HB2 LEU 62 -9.732 -19.640 28.889 1.00 54.52 ATOM 961 CG LEU 62 -8.102 -18.253 28.975 1.00 30.11 ATOM 962 HG LEU 62 -7.650 -18.630 28.069 1.00 21.42 ATOM 963 CD1 LEU 62 -8.959 -17.045 28.599 1.00 13.15 ATOM 964 HD11 LEU 62 -9.440 -16.653 29.484 1.00 40.51 ATOM 965 HD12 LEU 62 -9.710 -17.345 27.884 1.00 23.14 ATOM 966 HD13 LEU 62 -8.333 -16.281 28.162 1.00 21.52 ATOM 967 CD2 LEU 62 -6.978 -17.844 29.925 1.00 3.45 ATOM 968 HD21 LEU 62 -7.400 -17.491 30.855 1.00 51.42 ATOM 969 HD22 LEU 62 -6.392 -17.056 29.473 1.00 4.02 ATOM 970 HD23 LEU 62 -6.343 -18.695 30.119 1.00 35.55 ATOM 971 C LEU 62 -9.133 -21.569 30.811 1.00 71.31 ATOM 972 O LEU 62 -8.987 -21.703 32.027 1.00 4.14 ATOM 973 N ARG 63 -10.079 -22.225 30.132 1.00 50.00 ATOM 974 HN ARG 63 -10.143 -22.103 29.159 1.00 38.16 ATOM 975 CA ARG 63 -11.029 -23.124 30.813 1.00 72.01 ATOM 976 HA ARG 63 -11.519 -22.549 31.587 1.00 23.24 ATOM 977 CB ARG 63 -12.099 -23.642 29.841 1.00 44.11 ATOM 978 HB1 ARG 63 -12.627 -22.796 29.423 1.00 38.16 ATOM 979 HB2 ARG 63 -12.802 -24.252 30.391 1.00 32.31 ATOM 980 CG ARG 63 -11.544 -24.473 28.689 1.00 74.42 ATOM 981 HG1 ARG 63 -10.845 -25.198 29.085 1.00 38.16 ATOM 982 HG2 ARG 63 -11.028 -23.818 28.001 1.00 42.44 ATOM 983 CD ARG 63 -12.644 -25.207 27.936 1.00 22.51 ATOM 984 HD1 ARG 63 -12.215 -25.671 27.059 1.00 38.16 ATOM 985 HD2 ARG 63 -13.397 -24.494 27.633 1.00 51.44 ATOM 986 NE ARG 63 -13.271 -26.240 28.760 1.00 62.14 ATOM 987 HE ARG 63 -12.887 -26.411 29.642 1.00 34.23 ATOM 988 CZ ARG 63 -14.290 -26.960 28.380 1.00 15.14 ATOM 989 NH1 ARG 63 -14.873 -26.730 27.247 1.00 50.32 ATOM 990 HH11 ARG 63 -14.546 -25.993 26.656 1.00 5.23 ATOM 991 HH12 ARG 63 -15.651 -27.287 26.965 1.00 20.33 ATOM 992 NH2 ARG 63 -14.741 -27.895 29.153 1.00 62.02 ATOM 993 HH21 ARG 63 -14.313 -28.057 30.036 1.00 40.25 ATOM 994 HH22 ARG 63 -15.511 -28.460 28.857 1.00 24.31 ATOM 995 C ARG 63 -10.316 -24.315 31.474 1.00 41.32 ATOM 996 O ARG 63 -10.768 -24.830 32.498 1.00 11.34 ATOM 997 N GLU 64 -9.212 -24.762 30.875 1.00 43.24 ATOM 998 HN GLU 64 -8.934 -24.361 30.021 1.00 38.16 ATOM 999 CA GLU 64 -8.404 -25.844 31.453 1.00 31.50 ATOM 1000 HA GLU 64 -9.056 -26.440 32.079 1.00 51.43 ATOM 1001 CB GLU 64 -7.832 -26.745 30.350 1.00 52.15 ATOM 1002 HB1 GLU 64 -7.137 -27.443 30.796 1.00 38.16 ATOM 1003 HB2 GLU 64 -7.299 -26.130 29.638 1.00 62.45 ATOM 1004 CG GLU 64 -8.895 -27.542 29.597 1.00 35.53 ATOM 1005 HG1 GLU 64 -9.491 -26.857 29.010 1.00 38.16 ATOM 1006 HG2 GLU 64 -9.530 -28.041 30.316 1.00 51.24 ATOM 1007 CD GLU 64 -8.300 -28.591 28.671 1.00 15.02 ATOM 1008 OE1 GLU 64 -8.460 -28.471 27.437 1.00 35.12 ATOM 1009 OE2 GLU 64 -7.673 -29.548 29.178 1.00 1.11 ATOM 1010 C GLU 64 -7.273 -25.294 32.336 1.00 20.51 ATOM 1011 O GLU 64 -6.361 -26.028 32.721 1.00 52.34 ATOM 1012 N ARG 65 -7.343 -23.996 32.647 1.00 75.44 ATOM 1013 HN ARG 65 -8.050 -23.453 32.237 1.00 38.16 ATOM 1014 CA ARG 65 -6.408 -23.341 33.577 1.00 3.44 ATOM 1015 HA ARG 65 -6.691 -22.300 33.637 1.00 11.33 ATOM 1016 CB ARG 65 -6.541 -23.965 34.978 1.00 62.52 ATOM 1017 HB1 ARG 65 -5.964 -23.376 35.677 1.00 38.16 ATOM 1018 HB2 ARG 65 -6.138 -24.968 34.952 1.00 21.33 ATOM 1019 CG ARG 65 -7.982 -24.042 35.491 1.00 51.22 ATOM 1020 HG1 ARG 65 -7.977 -24.485 36.477 1.00 38.16 ATOM 1021 HG2 ARG 65 -8.558 -24.666 34.822 1.00 2.22 ATOM 1022 CD ARG 65 -8.643 -22.668 35.571 1.00 64.02 ATOM 1023 HD1 ARG 65 -9.668 -22.795 35.891 1.00 38.16 ATOM 1024 HD2 ARG 65 -8.629 -22.216 34.590 1.00 64.33 ATOM 1025 NE ARG 65 -7.960 -21.784 36.510 1.00 23.35 ATOM 1026 HE ARG 65 -7.084 -22.069 36.845 1.00 53.23 ATOM 1027 CZ ARG 65 -8.442 -20.649 36.939 1.00 73.32 ATOM 1028 NH1 ARG 65 -9.596 -20.216 36.531 1.00 22.31 ATOM 1029 HH11 ARG 65 -10.134 -20.751 35.882 1.00 73.34 ATOM 1030 HH12 ARG 65 -9.940 -19.339 36.862 1.00 24.04 ATOM 1031 NH2 ARG 65 -7.764 -19.946 37.784 1.00 75.54 ATOM 1032 HH21 ARG 65 -6.874 -20.272 38.103 1.00 1.14 ATOM 1033 HH22 ARG 65 -8.134 -19.083 38.127 1.00 44.21 ATOM 1034 C ARG 65 -4.946 -23.413 33.090 1.00 71.21 ATOM 1035 O ARG 65 -4.010 -23.212 33.870 1.00 0.32 ATOM 1036 N ARG 66 -4.762 -23.669 31.798 1.00 3.22 ATOM 1037 HN ARG 66 -5.548 -23.772 31.224 1.00 38.16 ATOM 1038 CA ARG 66 -3.428 -23.786 31.202 1.00 44.44 ATOM 1039 HA ARG 66 -2.841 -24.437 31.833 1.00 51.15 ATOM 1040 CB ARG 66 -3.527 -24.410 29.801 1.00 30.43 ATOM 1041 HB1 ARG 66 -2.541 -24.430 29.359 1.00 38.16 ATOM 1042 HB2 ARG 66 -4.170 -23.791 29.190 1.00 55.45 ATOM 1043 CG ARG 66 -4.083 -25.831 29.795 1.00 54.22 ATOM 1044 HG1 ARG 66 -5.053 -25.829 30.273 1.00 38.16 ATOM 1045 HG2 ARG 66 -3.412 -26.471 30.351 1.00 52.54 ATOM 1046 CD ARG 66 -4.230 -26.386 28.377 1.00 74.43 ATOM 1047 HD1 ARG 66 -3.284 -26.289 27.864 1.00 38.16 ATOM 1048 HD2 ARG 66 -4.983 -25.814 27.855 1.00 62.35 ATOM 1049 NE ARG 66 -4.624 -27.791 28.381 1.00 2.32 ATOM 1050 HE ARG 66 -4.692 -28.238 29.250 1.00 14.12 ATOM 1051 CZ ARG 66 -4.875 -28.489 27.306 1.00 34.44 ATOM 1052 NH1 ARG 66 -4.840 -27.942 26.131 1.00 71.03 ATOM 1053 HH11 ARG 66 -4.622 -26.969 26.032 1.00 1.42 ATOM 1054 HH12 ARG 66 -5.040 -28.487 25.325 1.00 51.13 ATOM 1055 NH2 ARG 66 -5.185 -29.740 27.411 1.00 2.10 ATOM 1056 HH21 ARG 66 -5.232 -30.165 28.312 1.00 13.22 ATOM 1057 HH22 ARG 66 -5.378 -30.278 26.595 1.00 0.51 ATOM 1058 C ARG 66 -2.726 -22.423 31.106 1.00 51.34 ATOM 1059 O ARG 66 -3.296 -21.454 30.603 1.00 63.45 ATOM 1060 N VAL 67 -1.484 -22.356 31.580 1.00 14.15 ATOM 1061 HN VAL 67 -1.087 -23.155 31.988 1.00 38.16 ATOM 1062 CA VAL 67 -0.694 -21.120 31.508 1.00 71.43 ATOM 1063 HA VAL 67 -1.349 -20.291 31.750 1.00 35.33 ATOM 1064 CB VAL 67 0.479 -21.127 32.524 1.00 74.25 ATOM 1065 HB VAL 67 1.187 -21.882 32.213 1.00 74.02 ATOM 1066 CG1 VAL 67 1.206 -19.781 32.531 1.00 4.25 ATOM 1067 HG11 VAL 67 2.012 -19.810 33.251 1.00 44.23 ATOM 1068 HG12 VAL 67 0.514 -18.995 32.798 1.00 45.02 ATOM 1069 HG13 VAL 67 1.611 -19.585 31.548 1.00 72.44 ATOM 1070 CG2 VAL 67 -0.016 -21.489 33.921 1.00 52.41 ATOM 1071 HG21 VAL 67 -0.736 -20.754 34.253 1.00 20.30 ATOM 1072 HG22 VAL 67 0.819 -21.509 34.606 1.00 45.22 ATOM 1073 HG23 VAL 67 -0.484 -22.463 33.896 1.00 40.24 ATOM 1074 C VAL 67 -0.130 -20.909 30.096 1.00 4.23 ATOM 1075 O VAL 67 -0.092 -19.786 29.587 1.00 40.23 ATOM 1076 N HIS 68 0.308 -22.000 29.465 1.00 34.10 ATOM 1077 HN HIS 68 0.269 -22.865 29.927 1.00 38.16 ATOM 1078 CA HIS 68 0.835 -21.938 28.098 1.00 43.43 ATOM 1079 HA HIS 68 0.789 -20.905 27.777 1.00 32.32 ATOM 1080 CB HIS 68 2.305 -22.397 28.053 1.00 32.45 ATOM 1081 HB1 HIS 68 2.872 -21.818 28.770 1.00 38.16 ATOM 1082 HB2 HIS 68 2.699 -22.209 27.066 1.00 42.23 ATOM 1083 CG HIS 68 2.522 -23.852 28.361 1.00 73.21 ATOM 1084 ND1 HIS 68 2.629 -24.346 29.641 1.00 42.11 ATOM 1085 HD1 HIS 68 2.563 -23.820 30.466 1.00 23.24 ATOM 1086 CD2 HIS 68 2.666 -24.924 27.542 1.00 13.45 ATOM 1087 HD2 HIS 68 2.636 -24.913 26.460 1.00 5.43 ATOM 1088 CE1 HIS 68 2.830 -25.647 29.599 1.00 71.32 ATOM 1089 HE1 HIS 68 2.951 -26.295 30.456 1.00 10.31 ATOM 1090 NE2 HIS 68 2.855 -26.025 28.339 1.00 42.42 ATOM 1091 HE2 HIS 68 3.181 -26.897 28.025 1.00 38.16 ATOM 1092 C HIS 68 -0.018 -22.778 27.136 1.00 33.04 ATOM 1093 O HIS 68 -0.213 -23.977 27.346 1.00 3.23 ATOM 1094 N VAL 69 -0.526 -22.136 26.091 1.00 1.13 ATOM 1095 HN VAL 69 -0.363 -21.175 26.002 1.00 38.16 ATOM 1096 CA VAL 69 -1.318 -22.813 25.065 1.00 53.22 ATOM 1097 HA VAL 69 -2.118 -23.352 25.559 1.00 4.41 ATOM 1098 CB VAL 69 -1.946 -21.787 24.086 1.00 74.22 ATOM 1099 HB VAL 69 -1.146 -21.337 23.508 1.00 42.40 ATOM 1100 CG1 VAL 69 -2.903 -22.472 23.110 1.00 42.21 ATOM 1101 HG11 VAL 69 -3.708 -22.941 23.659 1.00 63.33 ATOM 1102 HG12 VAL 69 -2.369 -23.222 22.546 1.00 32.12 ATOM 1103 HG13 VAL 69 -3.312 -21.738 22.430 1.00 42.12 ATOM 1104 CG2 VAL 69 -2.654 -20.671 24.851 1.00 12.30 ATOM 1105 HG21 VAL 69 -3.461 -21.087 25.438 1.00 21.40 ATOM 1106 HG22 VAL 69 -3.052 -19.951 24.153 1.00 35.32 ATOM 1107 HG23 VAL 69 -1.949 -20.180 25.509 1.00 71.35 ATOM 1108 C VAL 69 -0.454 -23.807 24.271 1.00 24.25 ATOM 1109 O VAL 69 0.653 -23.475 23.828 1.00 21.11 ATOM 1110 N THR 70 -0.956 -25.024 24.098 1.00 64.44 ATOM 1111 HN THR 70 -1.849 -25.227 24.454 1.00 38.16 ATOM 1112 CA THR 70 -0.226 -26.061 23.362 1.00 52.51 ATOM 1113 HA THR 70 0.824 -25.797 23.356 1.00 23.43 ATOM 1114 CB THR 70 -0.374 -27.452 24.028 1.00 71.41 ATOM 1115 HB THR 70 0.307 -28.140 23.544 1.00 64.14 ATOM 1116 OG1 THR 70 -1.716 -27.940 23.870 1.00 35.15 ATOM 1117 HG1 THR 70 -2.335 -27.321 24.279 1.00 5.31 ATOM 1118 CG2 THR 70 -0.023 -27.391 25.514 1.00 33.34 ATOM 1119 HG21 THR 70 -0.148 -28.370 25.956 1.00 10.01 ATOM 1120 HG22 THR 70 -0.675 -26.687 26.012 1.00 21.44 ATOM 1121 HG23 THR 70 1.004 -27.074 25.630 1.00 75.45 ATOM 1122 C THR 70 -0.722 -26.155 21.917 1.00 74.52 ATOM 1123 O THR 70 -1.647 -25.446 21.519 1.00 63.31 ATOM 1124 N GLN 71 -0.112 -27.033 21.128 1.00 12.30 ATOM 1125 HN GLN 71 0.639 -27.557 21.478 1.00 38.16 ATOM 1126 CA GLN 71 -0.552 -27.242 19.749 1.00 32.34 ATOM 1127 HA GLN 71 -0.648 -26.272 19.281 1.00 52.52 ATOM 1128 CB GLN 71 0.484 -28.068 18.977 1.00 42.50 ATOM 1129 HB1 GLN 71 0.559 -29.048 19.428 1.00 38.16 ATOM 1130 HB2 GLN 71 1.444 -27.576 19.046 1.00 71.31 ATOM 1131 CG GLN 71 0.147 -28.247 17.503 1.00 32.32 ATOM 1132 HG1 GLN 71 0.089 -27.271 17.041 1.00 38.16 ATOM 1133 HG2 GLN 71 -0.813 -28.737 17.422 1.00 11.13 ATOM 1134 CD GLN 71 1.178 -29.072 16.760 1.00 20.23 ATOM 1135 OE1 GLN 71 2.357 -29.073 17.098 1.00 73.24 ATOM 1136 NE2 GLN 71 0.742 -29.792 15.750 1.00 2.41 ATOM 1137 HE21 GLN 71 -0.212 -29.754 15.541 1.00 44.15 ATOM 1138 HE22 GLN 71 1.393 -30.326 15.250 1.00 45.41 ATOM 1139 C GLN 71 -1.918 -27.940 19.723 1.00 70.00 ATOM 1140 O GLN 71 -2.708 -27.758 18.794 1.00 72.33 ATOM 1141 N GLU 72 -2.188 -28.718 20.773 1.00 10.21 ATOM 1142 HN GLU 72 -1.518 -28.796 21.486 1.00 38.16 ATOM 1143 CA GLU 72 -3.450 -29.452 20.903 1.00 60.13 ATOM 1144 HA GLU 72 -3.508 -30.161 20.091 1.00 25.24 ATOM 1145 CB GLU 72 -3.493 -30.210 22.242 1.00 63.12 ATOM 1146 HB1 GLU 72 -4.310 -30.916 22.212 1.00 38.16 ATOM 1147 HB2 GLU 72 -3.677 -29.501 23.037 1.00 41.24 ATOM 1148 CG GLU 72 -2.215 -30.976 22.582 1.00 64.44 ATOM 1149 HG1 GLU 72 -2.378 -31.528 23.498 1.00 38.16 ATOM 1150 HG2 GLU 72 -1.417 -30.264 22.738 1.00 22.50 ATOM 1151 CD GLU 72 -1.789 -31.952 21.498 1.00 32.52 ATOM 1152 OE1 GLU 72 -2.435 -33.014 21.357 1.00 74.35 ATOM 1153 OE2 GLU 72 -0.796 -31.670 20.796 1.00 61.30 ATOM 1154 C GLU 72 -4.650 -28.498 20.822 1.00 73.01 ATOM 1155 O GLU 72 -5.615 -28.751 20.101 1.00 72.35 ATOM 1156 N ASP 73 -4.570 -27.394 21.564 1.00 73.24 ATOM 1157 HN ASP 73 -3.766 -27.247 22.111 1.00 38.16 ATOM 1158 CA ASP 73 -5.639 -26.393 21.594 1.00 34.52 ATOM 1159 HA ASP 73 -6.524 -26.867 21.991 1.00 54.25 ATOM 1160 CB ASP 73 -5.240 -25.237 22.516 1.00 32.22 ATOM 1161 HB1 ASP 73 -6.058 -24.533 22.578 1.00 38.16 ATOM 1162 HB2 ASP 73 -4.375 -24.737 22.103 1.00 51.11 ATOM 1163 CG ASP 73 -4.901 -25.707 23.923 1.00 10.25 ATOM 1164 OD1 ASP 73 -3.712 -25.979 24.201 1.00 40.11 ATOM 1165 OD2 ASP 73 -5.822 -25.821 24.755 1.00 61.13 ATOM 1166 C ASP 73 -5.953 -25.856 20.183 1.00 44.44 ATOM 1167 O ASP 73 -7.117 -25.723 19.803 1.00 55.40 ATOM 1168 N PHE 74 -4.905 -25.566 19.409 1.00 11.41 ATOM 1169 HN PHE 74 -4.001 -25.712 19.761 1.00 38.16 ATOM 1170 CA PHE 74 -5.068 -25.035 18.048 1.00 0.14 ATOM 1171 HA PHE 74 -5.707 -24.165 18.119 1.00 62.44 ATOM 1172 CB PHE 74 -3.714 -24.597 17.474 1.00 14.11 ATOM 1173 HB1 PHE 74 -3.815 -24.439 16.409 1.00 38.16 ATOM 1174 HB2 PHE 74 -2.986 -25.378 17.646 1.00 71.22 ATOM 1175 CG PHE 74 -3.181 -23.324 18.083 1.00 73.12 ATOM 1176 CD1 PHE 74 -2.387 -23.357 19.220 1.00 22.41 ATOM 1177 HD1 PHE 74 -2.145 -24.310 19.671 1.00 31.24 ATOM 1178 CD2 PHE 74 -3.481 -22.090 17.518 1.00 30.44 ATOM 1179 HD2 PHE 74 -4.098 -22.050 16.632 1.00 31.33 ATOM 1180 CE1 PHE 74 -1.903 -22.188 19.777 1.00 10.33 ATOM 1181 HE1 PHE 74 -1.285 -22.229 20.661 1.00 12.43 ATOM 1182 CE2 PHE 74 -2.999 -20.921 18.071 1.00 55.15 ATOM 1183 HE2 PHE 74 -3.239 -19.970 17.621 1.00 11.33 ATOM 1184 CZ PHE 74 -2.211 -20.969 19.203 1.00 64.34 ATOM 1185 HZ PHE 74 -1.834 -20.054 19.638 1.00 45.51 ATOM 1186 C PHE 74 -5.741 -26.044 17.101 1.00 74.22 ATOM 1187 O PHE 74 -6.716 -25.711 16.429 1.00 2.12 ATOM 1188 N GLU 75 -5.225 -27.274 17.046 1.00 0.24 ATOM 1189 HN GLU 75 -4.460 -27.502 17.619 1.00 38.16 ATOM 1190 CA GLU 75 -5.786 -28.296 16.146 1.00 44.42 ATOM 1191 HA GLU 75 -5.874 -27.834 15.171 1.00 53.24 ATOM 1192 CB GLU 75 -4.837 -29.502 16.016 1.00 73.32 ATOM 1193 HB1 GLU 75 -3.956 -29.187 15.473 1.00 38.16 ATOM 1194 HB2 GLU 75 -5.335 -30.274 15.445 1.00 50.34 ATOM 1195 CG GLU 75 -4.385 -30.111 17.338 1.00 64.14 ATOM 1196 HG1 GLU 75 -5.240 -30.549 17.833 1.00 38.16 ATOM 1197 HG2 GLU 75 -3.972 -29.329 17.961 1.00 11.11 ATOM 1198 CD GLU 75 -3.326 -31.187 17.140 1.00 32.32 ATOM 1199 OE1 GLU 75 -3.667 -32.387 17.185 1.00 44.15 ATOM 1200 OE2 GLU 75 -2.147 -30.839 16.909 1.00 35.24 ATOM 1201 C GLU 75 -7.197 -28.730 16.581 1.00 65.35 ATOM 1202 O GLU 75 -8.038 -29.060 15.741 1.00 62.24 ATOM 1203 N MET 76 -7.460 -28.720 17.890 1.00 54.24 ATOM 1204 HN MET 76 -6.723 -28.581 18.524 1.00 38.16 ATOM 1205 CA MET 76 -8.825 -28.922 18.401 1.00 3.14 ATOM 1206 HA MET 76 -9.182 -29.870 18.023 1.00 24.20 ATOM 1207 CB MET 76 -8.837 -28.959 19.938 1.00 13.20 ATOM 1208 HB1 MET 76 -9.855 -28.841 20.283 1.00 38.16 ATOM 1209 HB2 MET 76 -8.245 -28.134 20.310 1.00 71.00 ATOM 1210 CG MET 76 -8.280 -30.246 20.530 1.00 33.13 ATOM 1211 HG1 MET 76 -8.258 -30.153 21.608 1.00 38.16 ATOM 1212 HG2 MET 76 -7.274 -30.393 20.162 1.00 53.04 ATOM 1213 SD MET 76 -9.267 -31.694 20.095 1.00 73.31 ATOM 1214 CE MET 76 -10.861 -31.253 20.794 1.00 24.25 ATOM 1215 HE1 MET 76 -10.752 -31.067 21.853 1.00 65.33 ATOM 1216 HE2 MET 76 -11.560 -32.063 20.641 1.00 30.12 ATOM 1217 HE3 MET 76 -11.234 -30.363 20.307 1.00 25.11 ATOM 1218 C MET 76 -9.760 -27.810 17.902 1.00 63.13 ATOM 1219 O MET 76 -10.888 -28.070 17.477 1.00 70.13 ATOM 1220 N ALA 77 -9.274 -26.571 17.956 1.00 25.44 ATOM 1221 HN ALA 77 -8.389 -26.425 18.356 1.00 38.16 ATOM 1222 CA ALA 77 -10.023 -25.417 17.451 1.00 72.21 ATOM 1223 HA ALA 77 -10.951 -25.356 18.004 1.00 75.11 ATOM 1224 CB ALA 77 -9.237 -24.135 17.704 1.00 11.11 ATOM 1225 HB1 ALA 77 -8.299 -24.175 17.169 1.00 3.33 ATOM 1226 HB2 ALA 77 -9.043 -24.035 18.762 1.00 12.01 ATOM 1227 HB3 ALA 77 -9.811 -23.284 17.363 1.00 13.35 ATOM 1228 C ALA 77 -10.342 -25.563 15.955 1.00 1.24 ATOM 1229 O ALA 77 -11.493 -25.422 15.539 1.00 10.11 ATOM 1230 N VAL 78 -9.318 -25.858 15.151 1.00 14.53 ATOM 1231 HN VAL 78 -8.419 -25.937 15.536 1.00 38.16 ATOM 1232 CA VAL 78 -9.499 -26.062 13.706 1.00 51.13 ATOM 1233 HA VAL 78 -9.822 -25.123 13.276 1.00 31.33 ATOM 1234 CB VAL 78 -8.175 -26.481 13.018 1.00 53.45 ATOM 1235 HB VAL 78 -7.853 -27.420 13.450 1.00 4.11 ATOM 1236 CG1 VAL 78 -8.387 -26.696 11.520 1.00 5.12 ATOM 1237 HG11 VAL 78 -9.103 -27.491 11.367 1.00 61.04 ATOM 1238 HG12 VAL 78 -7.449 -26.967 11.058 1.00 52.42 ATOM 1239 HG13 VAL 78 -8.759 -25.786 11.072 1.00 2.14 ATOM 1240 CG2 VAL 78 -7.083 -25.445 13.264 1.00 12.52 ATOM 1241 HG21 VAL 78 -7.384 -24.493 12.850 1.00 73.41 ATOM 1242 HG22 VAL 78 -6.166 -25.767 12.792 1.00 30.52 ATOM 1243 HG23 VAL 78 -6.919 -25.338 14.327 1.00 33.22 ATOM 1244 C VAL 78 -10.567 -27.127 13.421 1.00 42.31 ATOM 1245 O VAL 78 -11.409 -26.961 12.534 1.00 24.41 ATOM 1246 N ALA 79 -10.527 -28.220 14.180 1.00 1.35 ATOM 1247 HN ALA 79 -9.805 -28.315 14.839 1.00 38.16 ATOM 1248 CA ALA 79 -11.525 -29.287 14.059 1.00 21.23 ATOM 1249 HA ALA 79 -11.460 -29.690 13.056 1.00 31.10 ATOM 1250 CB ALA 79 -11.213 -30.411 15.043 1.00 12.32 ATOM 1251 HB1 ALA 79 -11.274 -30.033 16.054 1.00 14.05 ATOM 1252 HB2 ALA 79 -10.217 -30.786 14.859 1.00 55.11 ATOM 1253 HB3 ALA 79 -11.927 -31.213 14.915 1.00 0.33 ATOM 1254 C ALA 79 -12.950 -28.754 14.290 1.00 11.52 ATOM 1255 O ALA 79 -13.859 -29.020 13.506 1.00 2.35 ATOM 1256 N LYS 80 -13.124 -27.981 15.361 1.00 61.12 ATOM 1257 HN LYS 80 -12.350 -27.793 15.936 1.00 38.16 ATOM 1258 CA LYS 80 -14.433 -27.408 15.718 1.00 61.01 ATOM 1259 HA LYS 80 -15.159 -28.209 15.688 1.00 75.33 ATOM 1260 CB LYS 80 -14.376 -26.852 17.149 1.00 55.21 ATOM 1261 HB1 LYS 80 -13.549 -26.157 17.220 1.00 38.16 ATOM 1262 HB2 LYS 80 -14.199 -27.671 17.834 1.00 45.41 ATOM 1263 CG LYS 80 -15.646 -26.129 17.585 1.00 2.11 ATOM 1264 HG1 LYS 80 -16.486 -26.803 17.482 1.00 38.16 ATOM 1265 HG2 LYS 80 -15.795 -25.268 16.950 1.00 54.34 ATOM 1266 CD LYS 80 -15.562 -25.663 19.034 1.00 3.43 ATOM 1267 HD1 LYS 80 -14.640 -25.113 19.171 1.00 38.16 ATOM 1268 HD2 LYS 80 -15.565 -26.528 19.681 1.00 12.44 ATOM 1269 CE LYS 80 -16.732 -24.763 19.410 1.00 14.43 ATOM 1270 HE1 LYS 80 -16.680 -24.549 20.467 1.00 38.16 ATOM 1271 HE2 LYS 80 -17.657 -25.277 19.193 1.00 3.52 ATOM 1272 NZ LYS 80 -16.704 -23.480 18.658 1.00 24.22 ATOM 1273 HZ1 LYS 80 -15.812 -22.975 18.846 1.00 30.03 ATOM 1274 HZ2 LYS 80 -17.497 -22.876 18.949 1.00 51.35 ATOM 1275 HZ3 LYS 80 -16.776 -23.659 17.636 1.00 10.43 ATOM 1276 C LYS 80 -14.880 -26.304 14.732 1.00 43.13 ATOM 1277 O LYS 80 -16.078 -26.078 14.535 1.00 13.35 ATOM 1278 N VAL 81 -13.918 -25.611 14.127 1.00 40.14 ATOM 1279 HN VAL 81 -12.982 -25.812 14.341 1.00 38.16 ATOM 1280 CA VAL 81 -14.222 -24.545 13.157 1.00 3.23 ATOM 1281 HA VAL 81 -15.085 -24.001 13.524 1.00 12.03 ATOM 1282 CB VAL 81 -13.043 -23.542 13.026 1.00 12.41 ATOM 1283 HB VAL 81 -12.159 -24.095 12.737 1.00 62.01 ATOM 1284 CG1 VAL 81 -13.324 -22.497 11.944 1.00 44.03 ATOM 1285 HG11 VAL 81 -14.214 -21.939 12.198 1.00 21.50 ATOM 1286 HG12 VAL 81 -13.471 -22.990 10.994 1.00 53.12 ATOM 1287 HG13 VAL 81 -12.484 -21.819 11.867 1.00 61.22 ATOM 1288 CG2 VAL 81 -12.760 -22.864 14.368 1.00 21.21 ATOM 1289 HG21 VAL 81 -11.922 -22.190 14.263 1.00 65.22 ATOM 1290 HG22 VAL 81 -12.525 -23.615 15.109 1.00 42.52 ATOM 1291 HG23 VAL 81 -13.632 -22.309 14.686 1.00 11.25 ATOM 1292 C VAL 81 -14.559 -25.119 11.768 1.00 33.42 ATOM 1293 O VAL 81 -15.611 -24.823 11.200 1.00 30.10 ATOM 1294 N MET 82 -13.661 -25.939 11.225 1.00 25.55 ATOM 1295 HN MET 82 -12.848 -26.151 11.728 1.00 38.16 ATOM 1296 CA MET 82 -13.850 -26.527 9.891 1.00 64.33 ATOM 1297 HA MET 82 -14.331 -25.784 9.271 1.00 43.21 ATOM 1298 CB MET 82 -12.490 -26.871 9.272 1.00 0.20 ATOM 1299 HB1 MET 82 -12.649 -27.297 8.290 1.00 38.16 ATOM 1300 HB2 MET 82 -11.997 -27.604 9.895 1.00 71.45 ATOM 1301 CG MET 82 -11.564 -25.668 9.125 1.00 51.40 ATOM 1302 HG1 MET 82 -10.647 -25.990 8.650 1.00 38.16 ATOM 1303 HG2 MET 82 -11.338 -25.280 10.108 1.00 50.21 ATOM 1304 SD MET 82 -12.289 -24.340 8.136 1.00 40.43 ATOM 1305 CE MET 82 -12.479 -25.145 6.545 1.00 41.12 ATOM 1306 HE1 MET 82 -13.105 -26.018 6.654 1.00 60.14 ATOM 1307 HE2 MET 82 -11.509 -25.442 6.173 1.00 31.44 ATOM 1308 HE3 MET 82 -12.936 -24.460 5.848 1.00 4.13 ATOM 1309 C MET 82 -14.751 -27.777 9.929 1.00 25.32 ATOM 1310 O MET 82 -15.213 -28.247 8.886 1.00 34.42 ATOM 1311 N GLN 83 -14.982 -28.315 11.131 1.00 3.10 ATOM 1312 HN GLN 83 -14.535 -27.928 11.913 1.00 38.16 ATOM 1313 CA GLN 83 -15.884 -29.464 11.330 1.00 42.20 ATOM 1314 HA GLN 83 -15.826 -29.739 12.372 1.00 50.20 ATOM 1315 CB GLN 83 -17.331 -29.056 11.012 1.00 73.53 ATOM 1316 HB1 GLN 83 -17.970 -29.919 11.134 1.00 38.16 ATOM 1317 HB2 GLN 83 -17.383 -28.724 9.983 1.00 11.42 ATOM 1318 CG GLN 83 -17.862 -27.937 11.908 1.00 74.00 ATOM 1319 HG1 GLN 83 -17.202 -27.084 11.827 1.00 38.16 ATOM 1320 HG2 GLN 83 -17.870 -28.287 12.930 1.00 74.23 ATOM 1321 CD GLN 83 -19.269 -27.500 11.538 1.00 71.13 ATOM 1322 OE1 GLN 83 -19.667 -27.557 10.378 1.00 64.44 ATOM 1323 NE2 GLN 83 -20.032 -27.055 12.515 1.00 11.05 ATOM 1324 HE21 GLN 83 -19.660 -27.027 13.419 1.00 11.43 ATOM 1325 HE22 GLN 83 -20.947 -26.782 12.297 1.00 1.54 ATOM 1326 C GLN 83 -15.470 -30.683 10.485 1.00 35.12 ATOM 1327 O GLN 83 -16.317 -31.450 10.021 1.00 61.32 ATOM 1328 N LYS 84 -14.163 -30.876 10.322 1.00 34.05 ATOM 1329 HN LYS 84 -13.537 -30.282 10.784 1.00 38.16 ATOM 1330 CA LYS 84 -13.636 -31.961 9.484 1.00 50.35 ATOM 1331 HA LYS 84 -14.456 -32.357 8.900 1.00 22.02 ATOM 1332 CB LYS 84 -12.572 -31.413 8.523 1.00 64.54 ATOM 1333 HB1 LYS 84 -12.131 -32.236 7.978 1.00 38.16 ATOM 1334 HB2 LYS 84 -11.800 -30.923 9.100 1.00 13.54 ATOM 1335 CG LYS 84 -13.119 -30.411 7.511 1.00 32.02 ATOM 1336 HG1 LYS 84 -12.297 -30.026 6.922 1.00 38.16 ATOM 1337 HG2 LYS 84 -13.592 -29.597 8.044 1.00 71.14 ATOM 1338 CD LYS 84 -14.143 -31.052 6.577 1.00 0.11 ATOM 1339 HD1 LYS 84 -14.932 -31.492 7.171 1.00 38.16 ATOM 1340 HD2 LYS 84 -13.655 -31.823 5.999 1.00 41.24 ATOM 1341 CE LYS 84 -14.752 -30.034 5.622 1.00 65.12 ATOM 1342 HE1 LYS 84 -15.400 -30.550 4.929 1.00 38.16 ATOM 1343 HE2 LYS 84 -13.957 -29.546 5.075 1.00 35.34 ATOM 1344 NZ LYS 84 -15.541 -29.005 6.347 1.00 44.15 ATOM 1345 HZ1 LYS 84 -14.982 -28.597 7.122 1.00 50.55 ATOM 1346 HZ2 LYS 84 -16.406 -29.426 6.744 1.00 51.24 ATOM 1347 HZ3 LYS 84 -15.815 -28.240 5.698 1.00 12.14 ATOM 1348 C LYS 84 -13.039 -33.104 10.318 1.00 35.21 ATOM 1349 O LYS 84 -12.465 -32.884 11.388 1.00 41.43 ATOM 1350 N ASP 85 -13.184 -34.327 9.812 1.00 1.45 ATOM 1351 HN ASP 85 -13.706 -34.436 8.990 1.00 38.16 ATOM 1352 CA ASP 85 -12.600 -35.516 10.440 1.00 71.15 ATOM 1353 HA ASP 85 -12.170 -35.223 11.389 1.00 0.02 ATOM 1354 CB ASP 85 -13.692 -36.566 10.686 1.00 51.15 ATOM 1355 HB1 ASP 85 -13.267 -37.396 11.233 1.00 38.16 ATOM 1356 HB2 ASP 85 -14.064 -36.923 9.736 1.00 10.02 ATOM 1357 CG ASP 85 -14.859 -36.010 11.484 1.00 72.14 ATOM 1358 OD1 ASP 85 -15.809 -35.478 10.866 1.00 52.14 ATOM 1359 OD2 ASP 85 -14.833 -36.098 12.733 1.00 33.22 ATOM 1360 C ASP 85 -11.491 -36.108 9.551 1.00 24.20 ATOM 1361 O ASP 85 -11.308 -35.682 8.407 1.00 13.05 ATOM 1362 N SER 86 -10.745 -37.077 10.078 1.00 30.14 ATOM 1363 HN SER 86 -10.909 -37.352 11.005 1.00 38.16 ATOM 1364 HA SER 86 -10.017 -37.817 8.279 1.00 21.42 ATOM 1365 CB SER 86 -8.371 -36.947 9.344 1.00 3.23 ATOM 1366 HB1 SER 86 -7.581 -37.519 8.878 1.00 38.16 ATOM 1367 HB2 SER 86 -8.107 -36.742 10.371 1.00 2.43 ATOM 1368 OG SER 86 -8.504 -35.709 8.654 1.00 63.05 ATOM 1369 HG SER 86 -9.425 -35.424 8.687 1.00 51.34 ATOM 1370 CA SER 86 -9.682 -37.754 9.306 1.00 74.31 ATOM 1371 C SER 86 -9.436 -39.183 9.820 1.00 20.42 ATOM 1372 OT1 SER 86 -8.574 -39.367 10.709 1.00 38.16 ATOM 1373 OT2 SER 86 -10.120 -40.116 9.337 1.00 38.16 ATOM 1374 OH2 TIP3 1 -15.883 -27.531 0.737 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -15.959 -28.445 1.085 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.759 -27.343 0.369 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.315 -32.337 3.080 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.085 -33.213 3.405 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -17.116 -32.092 3.597 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.017 -37.176 9.284 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.996 -37.076 9.192 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.888 -38.136 9.455 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -21.678 -36.582 9.286 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -21.828 -35.877 9.941 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -22.451 -36.521 8.684 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -18.927 -35.430 13.332 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -18.792 -35.233 12.388 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -18.329 -36.193 13.505 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -23.860 -36.492 7.584 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -23.824 -36.909 6.717 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -24.798 -36.416 7.775 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -15.826 -34.363 8.330 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.031 -35.223 7.920 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -15.848 -34.549 9.293 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -13.258 -38.251 13.620 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -12.751 -37.909 14.366 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -13.806 -37.493 13.332 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.315 -37.093 8.581 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -16.114 -36.751 9.474 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -17.276 -37.283 8.613 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -17.372 -39.985 14.586 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -17.452 -39.055 14.309 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.502 -40.267 14.230 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -21.735 -27.892 4.649 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -22.578 -27.607 4.281 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -21.854 -27.800 5.627 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -10.272 -34.146 5.388 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -11.009 -34.804 5.396 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -10.534 -33.495 6.049 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -19.396 -35.698 16.117 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -19.255 -35.668 15.155 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -19.965 -34.927 16.300 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -18.132 -28.798 6.493 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -18.548 -28.384 5.710 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -18.883 -28.996 7.086 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.373 -31.515 4.640 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -19.250 -31.148 4.910 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.989 -31.850 5.480 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -18.382 -29.911 15.784 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -17.605 -30.512 15.682 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -19.043 -30.275 15.167 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -18.065 -36.453 18.350 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -18.250 -37.382 18.623 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -18.537 -36.359 17.490 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -15.583 -35.229 18.094 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -16.409 -35.674 18.388 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -15.468 -35.534 17.168 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -12.483 -42.234 4.802 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -12.392 -41.259 4.808 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -13.429 -42.381 4.742 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -12.924 -33.417 14.060 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -12.549 -33.166 13.193 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -13.894 -33.330 13.932 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.594 -33.523 13.370 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.222 -33.178 12.727 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.413 -34.441 13.058 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -21.055 -33.873 13.980 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -20.262 -34.431 13.805 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -21.621 -34.026 13.204 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -18.459 -34.819 10.551 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -18.703 -35.611 10.014 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -17.492 -34.936 10.719 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -18.767 -32.067 9.459 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -18.811 -33.003 9.743 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -17.840 -31.801 9.662 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -16.544 -31.856 15.437 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.204 -32.502 14.792 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -16.049 -32.053 16.257 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -14.175 -37.582 6.824 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -14.955 -37.539 7.417 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -13.573 -38.221 7.261 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -20.698 -30.355 5.394 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -21.179 -30.463 6.222 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -21.074 -29.542 5.003 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -14.835 -40.497 13.782 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -14.153 -39.814 13.592 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -14.505 -41.304 13.326 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -18.675 -39.112 18.742 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.010 -39.646 18.244 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -19.410 -39.714 18.868 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.265 -32.379 7.047 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -17.965 -32.318 7.719 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -16.654 -33.062 7.403 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -14.938 -35.969 15.500 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.962 -35.872 14.527 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -13.988 -35.960 15.715 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -17.014 -37.264 13.933 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -16.290 -36.960 13.343 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.692 -37.055 14.827 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -17.048 -40.649 17.219 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -16.127 -40.956 17.138 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -17.315 -40.453 16.294 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.271 -39.395 7.673 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -11.429 -39.542 8.159 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.754 -40.247 7.773 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -12.490 -35.556 6.062 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.211 -36.220 6.079 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -12.038 -35.681 6.922 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.193 -39.769 9.783 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -17.383 -40.203 9.493 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -18.421 -40.215 10.608 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -13.090 -34.566 19.283 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -13.979 -34.913 19.069 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -12.859 -34.013 18.512 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -12.510 -40.390 18.093 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -12.275 -39.553 17.650 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -13.290 -40.713 17.591 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -14.063 -43.004 13.019 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -13.486 -43.588 12.502 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -13.974 -43.335 13.939 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -14.444 -41.345 16.375 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -14.619 -40.950 15.495 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -14.177 -42.265 16.173 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -20.718 -31.614 11.462 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -21.314 -30.849 11.277 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -20.068 -31.591 10.737 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -20.430 -31.163 14.248 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -20.515 -31.006 13.289 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -20.528 -32.132 14.334 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -22.237 -29.365 11.161 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -22.554 -28.878 11.938 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -22.349 -28.736 10.429 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -21.215 -34.367 11.091 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -20.293 -34.596 10.881 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -21.201 -33.396 11.196 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -19.053 -27.656 4.126 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -18.892 -28.353 3.454 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -20.031 -27.637 4.222 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -12.428 -33.131 17.002 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -11.541 -33.549 17.057 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -12.559 -32.979 16.049 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.074 -32.502 32.280 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.500 -33.223 32.576 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.672 -32.339 33.049 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.532 -32.086 34.550 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -18.541 -32.911 35.041 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -19.243 -31.552 34.970 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.874 -30.000 24.082 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -18.496 -29.135 23.827 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.337 -30.277 24.856 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -15.148 -32.532 17.736 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -14.179 -32.475 17.642 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -15.315 -33.481 17.933 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -18.983 -33.870 18.752 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -19.631 -33.807 18.024 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -18.661 -34.797 18.708 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -18.895 -32.773 21.253 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -19.051 -33.357 20.485 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -18.310 -32.083 20.906 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -13.770 -29.444 22.745 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -13.160 -29.637 23.490 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -14.451 -30.120 22.817 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.414 -30.982 36.253 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.164 -30.988 37.180 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -21.349 -30.684 36.260 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.732 -32.168 29.598 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -17.559 -32.454 30.517 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -18.376 -31.440 29.691 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -20.905 -33.439 16.708 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -21.172 -33.527 15.768 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -21.366 -32.646 17.014 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -17.433 -31.632 19.048 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -16.552 -31.810 18.658 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -17.948 -32.447 18.856 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -10.924 -42.495 18.697 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -11.544 -41.743 18.542 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -10.549 -42.315 19.560 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -16.227 -28.702 34.124 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -16.473 -29.062 33.233 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -16.619 -29.329 34.745 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -16.987 -29.772 31.781 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -17.724 -29.643 31.147 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -16.931 -30.744 31.884 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -19.762 -32.487 26.442 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -19.932 -33.338 26.858 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -19.828 -32.673 25.472 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -22.988 -30.180 36.798 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -23.291 -29.406 37.282 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -23.797 -30.589 36.472 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -21.128 -28.891 28.434 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -22.030 -28.573 28.480 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -21.048 -29.257 27.520 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -17.748 -30.651 26.471 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.402 -31.373 26.610 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -17.166 -30.702 27.253 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -12.609 -24.876 -3.829 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -11.810 -25.426 -3.684 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -13.076 -24.915 -2.977 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.961 -16.391 0.102 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.942 -16.449 1.084 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.906 -15.438 -0.079 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -14.613 -21.192 -4.500 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -14.577 -20.209 -4.578 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -13.705 -21.482 -4.705 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -11.701 -13.487 1.138 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -11.228 -13.941 0.412 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -12.639 -13.557 0.887 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -13.843 -22.805 -0.585 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -14.477 -22.515 -1.275 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -14.363 -22.757 0.247 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -14.276 -14.086 0.461 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -13.897 -14.989 0.559 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -14.203 -13.899 -0.509 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.149 -16.650 0.608 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -12.491 -17.320 0.311 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -14.002 -17.011 0.308 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -16.267 -17.700 -2.359 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -16.080 -17.196 -1.545 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -17.216 -17.859 -2.325 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -11.724 -26.339 -6.085 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -12.304 -26.689 -6.765 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -12.299 -25.762 -5.551 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -14.200 -11.166 -6.305 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -13.520 -10.491 -6.098 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -14.982 -10.646 -6.576 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -18.115 -18.050 0.605 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -17.831 -18.980 0.538 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -17.340 -17.542 0.312 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.542 -22.566 1.543 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -15.943 -23.434 1.775 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -15.133 -22.258 2.379 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -16.653 -20.478 0.143 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -16.403 -20.680 -0.782 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -16.412 -21.293 0.636 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -18.571 -25.996 0.306 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -19.019 -26.875 0.317 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -19.161 -25.438 -0.209 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -11.565 -11.609 -7.573 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -11.590 -10.846 -6.960 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -12.462 -11.975 -7.525 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -12.083 -14.743 -3.876 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -11.359 -14.432 -4.449 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.084 -15.719 -4.004 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -11.638 -17.413 -4.127 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.754 -18.314 -3.752 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -10.763 -17.450 -4.561 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.493 -18.510 -4.323 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.145 -18.164 -3.675 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -13.783 -17.856 -4.321 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -15.318 -19.211 2.174 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -15.761 -19.587 1.386 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -14.982 -19.994 2.654 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -11.452 -21.475 -0.830 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -12.312 -21.940 -0.713 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -10.820 -22.193 -1.066 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.871 -21.771 -2.210 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.363 -21.496 -3.016 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -16.695 -22.121 -2.563 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -13.500 -27.785 -0.766 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -14.322 -27.689 -0.251 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -13.144 -26.874 -0.818 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -12.554 -25.210 -1.001 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.000 -24.377 -0.737 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -11.611 -25.005 -0.941 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -13.973 -13.713 -2.180 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -13.335 -14.091 -2.820 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -14.602 -13.211 -2.746 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -16.059 -30.207 1.412 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -15.516 -30.448 0.651 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.030 -31.007 1.991 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -15.342 -12.447 -4.157 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -14.827 -12.114 -4.923 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.254 -12.423 -4.459 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -18.608 -29.784 2.414 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.663 -30.466 3.116 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -17.711 -29.903 2.037 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -15.853 -16.672 2.846 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -14.990 -16.422 3.238 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -15.775 -17.648 2.703 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -20.578 -19.626 10.659 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -21.268 -19.981 10.062 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -19.751 -20.057 10.349 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.629 -17.440 12.278 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -20.556 -18.264 11.738 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -21.493 -17.508 12.697 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -19.518 -15.832 10.351 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -19.863 -16.318 9.596 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -19.915 -16.282 11.128 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -22.618 -26.837 9.831 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -22.882 -26.827 10.774 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -22.016 -26.074 9.745 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -22.601 -21.172 11.986 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -22.765 -21.179 11.020 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -21.726 -20.765 12.070 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -25.544 -26.539 14.660 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -25.374 -25.880 13.958 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -26.216 -27.113 14.288 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -17.010 -16.659 7.907 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.128 -16.741 7.472 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.796 -16.466 8.851 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -24.878 -24.851 12.589 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -24.729 -23.968 13.002 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -25.117 -24.647 11.678 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.581 -18.394 15.052 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.787 -18.663 15.972 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.173 -18.929 14.514 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -17.487 -13.865 7.812 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -17.166 -14.786 7.712 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.313 -13.959 8.305 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.578 -16.912 6.798 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.796 -16.442 6.486 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.264 -17.838 6.915 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.202 -15.971 21.738 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.249 -16.038 22.721 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.320 -16.899 21.433 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -18.458 -21.040 9.657 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -18.185 -20.407 8.957 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -18.110 -21.895 9.350 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -14.077 -21.833 6.274 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.825 -20.904 6.529 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -13.652 -22.385 6.947 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -15.572 -22.130 16.628 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.573 -21.176 16.847 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -14.719 -22.275 16.206 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -16.796 -15.898 10.485 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -16.533 -15.842 11.420 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -17.775 -15.827 10.507 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.713 -21.837 7.162 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.826 -21.810 6.748 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -16.963 -20.898 7.252 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.320 -13.586 3.858 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.265 -14.569 3.842 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -12.998 -13.320 2.984 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -16.862 -13.634 3.430 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -17.634 -14.174 3.144 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -16.138 -14.275 3.486 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -23.009 -26.936 12.598 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -22.657 -27.117 13.506 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -23.686 -26.242 12.741 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.830 -19.283 7.590 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -18.290 -19.160 6.752 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -17.502 -18.384 7.816 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -19.767 -28.415 0.321 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -19.440 -28.948 1.078 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -20.398 -28.992 -0.119 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -24.462 -22.350 13.584 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -23.762 -21.907 13.044 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -25.031 -21.628 13.872 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -17.255 -24.486 7.217 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -17.523 -24.737 6.308 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -17.072 -23.519 7.154 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -21.688 -22.739 19.624 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -21.967 -23.340 20.346 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -21.824 -23.262 18.817 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -18.470 -22.410 12.093 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -18.161 -23.198 11.610 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -18.521 -21.720 11.403 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -17.727 -24.221 16.056 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -17.869 -23.348 15.623 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -17.212 -24.732 15.403 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -20.353 -25.077 9.660 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -20.078 -26.006 9.810 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -19.532 -24.563 9.814 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -16.265 -12.256 16.906 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -17.200 -12.394 16.711 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -16.028 -13.009 17.495 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -20.685 -23.611 14.286 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -20.011 -22.957 14.570 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -20.598 -23.635 13.324 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -20.226 -25.363 16.360 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -19.276 -25.134 16.403 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -20.578 -24.774 15.662 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -17.513 -25.405 4.554 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -18.118 -26.163 4.388 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -17.223 -25.131 3.659 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -14.169 -21.287 3.570 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.243 -21.486 3.303 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -14.213 -21.567 4.514 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -17.370 -18.442 19.089 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -16.874 -18.453 19.937 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -18.289 -18.562 19.350 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -18.380 -16.870 13.968 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -18.356 -17.643 14.565 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -19.155 -17.033 13.398 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -18.386 -15.749 2.460 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.553 -16.190 2.724 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -18.809 -16.386 1.862 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.387 -15.179 13.105 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.102 -15.729 13.510 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -16.856 -14.373 12.788 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -10.028 -11.992 6.540 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -10.726 -12.325 5.962 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -10.413 -11.179 6.937 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -12.818 -18.816 4.221 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -12.958 -18.862 5.198 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -13.374 -19.533 3.869 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.493 -26.390 6.098 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -16.038 -25.989 5.388 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -15.771 -25.914 6.901 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -22.587 -20.950 9.231 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -22.301 -21.815 8.844 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -23.204 -20.596 8.582 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.417 -19.152 15.694 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.260 -19.052 16.198 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.730 -19.079 16.370 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -21.913 -28.000 7.351 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -22.338 -27.571 8.120 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -21.188 -28.529 7.744 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -13.984 -13.906 11.930 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -14.890 -14.259 11.994 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -13.426 -14.700 11.811 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -16.831 -13.871 21.232 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -17.299 -13.776 22.092 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -16.301 -14.689 21.343 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -13.225 -16.250 3.379 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -13.017 -16.365 2.427 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -13.077 -17.143 3.765 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.486 -19.453 17.455 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -14.847 -19.670 18.178 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -16.238 -19.031 17.929 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -23.105 -23.692 15.639 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -22.236 -23.676 15.192 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -23.698 -23.234 15.018 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.986 -20.048 19.738 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -21.388 -20.938 19.639 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.623 -20.053 20.630 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -24.071 -25.994 16.921 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -24.576 -26.313 16.143 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -23.658 -25.163 16.609 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -21.739 -27.323 15.002 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -21.350 -26.651 15.594 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -21.759 -28.134 15.546 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -18.579 -21.888 14.793 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.436 -21.900 13.818 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.529 -20.939 15.031 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.792 -27.310 21.222 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -23.601 -27.190 20.673 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -22.260 -27.952 20.718 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.639 -25.625 19.099 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -20.865 -26.572 19.190 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -20.552 -25.493 18.132 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -21.079 -28.381 19.280 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -20.188 -28.750 19.068 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -21.646 -28.718 18.566 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -21.736 -24.819 21.471 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -21.188 -25.061 20.688 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -22.323 -25.598 21.595 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -14.002 -15.865 14.256 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -14.862 -15.683 13.816 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -14.091 -16.794 14.574 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -16.593 -25.088 1.952 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.955 -25.789 1.718 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -17.377 -25.284 1.389 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -17.763 -24.083 9.896 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -16.940 -24.370 10.352 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -17.602 -24.310 8.951 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -17.358 -12.951 11.859 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -18.309 -12.853 11.730 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -17.073 -12.079 12.232 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.502 -10.592 12.708 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.143 -9.982 12.035 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -15.770 -10.715 13.340 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -19.883 -29.453 8.511 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -19.555 -30.312 8.839 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.750 -28.839 9.267 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -21.876 -23.344 8.165 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -21.331 -23.907 8.759 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -21.830 -23.789 7.314 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -21.186 -29.636 16.478 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -20.295 -29.599 16.865 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -21.068 -30.162 15.661 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -15.577 -14.216 18.678 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.050 -13.928 19.488 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -15.665 -15.179 18.685 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -20.617 -16.988 27.642 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.941 -17.566 27.214 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -21.253 -17.602 28.011 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.292 -20.289 29.285 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -17.089 -20.832 29.423 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.572 -20.826 29.671 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -17.845 -22.185 30.850 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -18.002 -23.142 31.032 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -18.450 -21.730 31.446 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -14.667 -24.533 25.483 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.204 -24.896 24.755 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -14.679 -23.563 25.327 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -18.681 -18.448 26.436 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -17.776 -18.579 26.782 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.540 -18.085 25.541 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -14.443 -16.967 28.702 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -13.758 -16.426 29.116 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -15.261 -16.417 28.778 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -12.474 -27.050 31.535 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -11.828 -26.409 31.870 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -12.934 -27.365 32.340 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -18.870 -14.890 27.650 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.542 -15.599 27.752 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -19.144 -14.419 26.840 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -15.978 -18.698 27.037 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -15.342 -18.065 27.420 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -16.099 -19.369 27.746 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -16.925 -18.556 34.142 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.289 -19.269 34.358 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -16.826 -18.433 33.174 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -18.934 -22.466 20.000 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -19.898 -22.544 19.854 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -18.807 -22.765 20.926 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -15.654 -18.673 21.337 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.062 -19.258 20.787 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -15.618 -19.068 22.229 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -12.315 -22.490 36.655 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -12.089 -23.259 36.093 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -12.316 -21.733 36.036 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.461 -22.985 21.997 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -16.397 -22.729 21.893 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -15.019 -22.635 21.181 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -14.464 -27.023 21.724 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -13.791 -26.750 21.080 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -14.157 -27.904 22.038 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -11.464 -14.206 37.363 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -10.912 -14.226 38.179 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -12.296 -14.649 37.630 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -19.803 -13.557 25.398 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.512 -12.613 25.414 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -20.765 -13.509 25.440 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -11.646 -24.580 34.961 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -11.268 -24.534 34.057 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -11.443 -25.500 35.257 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -15.450 -22.796 35.781 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -15.451 -21.952 35.276 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -15.060 -22.561 36.629 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -20.733 -23.002 23.251 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -21.396 -22.851 23.930 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -21.135 -23.686 22.668 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -17.868 -27.450 23.677 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -18.540 -27.357 22.961 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.225 -26.733 23.496 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -16.038 -19.360 24.217 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -15.813 -19.189 25.154 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -16.808 -18.785 24.051 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -24.738 -27.073 19.323 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -24.366 -26.687 18.494 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -25.685 -27.086 19.169 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -18.214 -24.761 31.650 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -17.663 -25.156 32.365 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -18.820 -25.466 31.406 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -13.319 -20.741 32.426 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -13.297 -19.917 31.891 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -13.909 -21.338 31.915 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -18.188 -23.432 22.446 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -19.038 -23.232 22.901 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -17.779 -24.120 22.998 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -16.037 -25.382 23.176 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -15.492 -26.054 22.694 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -15.747 -24.526 22.794 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -17.794 -17.160 24.149 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.342 -16.400 23.921 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -16.893 -16.783 24.248 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -9.943 -17.474 36.777 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -9.453 -16.625 36.869 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -10.639 -17.426 37.475 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.085 -22.227 30.924 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -16.064 -22.231 30.982 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -14.834 -23.163 31.089 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -17.511 -13.754 23.869 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -17.022 -13.027 24.288 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -18.346 -13.805 24.380 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -15.252 -16.163 24.447 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -14.576 -16.829 24.709 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.225 -15.508 25.157 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -16.616 -26.068 33.384 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.997 -25.616 33.988 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -16.614 -26.999 33.692 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.902 -32.498 23.747 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.650 -31.551 23.737 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.620 -32.824 22.863 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -19.835 -27.298 21.796 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -20.748 -27.063 22.027 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -19.927 -27.857 21.012 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -14.335 -24.917 34.565 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -13.394 -24.732 34.784 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -14.831 -24.177 35.001 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -14.618 -24.794 31.776 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.370 -24.745 32.718 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -15.397 -25.370 31.768 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -16.611 -15.412 29.067 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.039 -15.667 29.892 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -17.361 -15.169 28.473 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.587 -13.727 21.950 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.130 -14.546 21.935 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.025 -13.804 21.171 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -20.609 -18.876 17.290 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -20.668 -19.352 18.150 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -21.449 -18.417 17.221 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -14.167 -13.902 31.503 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.747 -13.616 30.789 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -13.262 -13.783 31.143 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -17.192 -17.052 36.408 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.010 -17.597 35.608 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -18.042 -16.647 36.225 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -13.582 -18.522 30.853 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -13.979 -18.338 29.980 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -12.865 -17.854 30.933 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -16.283 -18.474 31.455 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -15.310 -18.404 31.470 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -16.470 -19.008 30.660 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -14.965 -21.946 24.479 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -15.347 -21.048 24.441 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.037 -22.274 23.561 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -13.607 -19.389 36.837 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -12.993 -18.708 37.168 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.275 -19.469 37.543 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -11.654 -20.614 34.660 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -11.727 -19.636 34.715 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.091 -20.835 33.809 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -14.914 -20.374 34.660 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -14.388 -19.979 35.395 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -14.275 -20.447 33.920 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.745 -27.535 33.966 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.577 -28.056 34.031 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -13.998 -26.643 34.286 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.658 -11.094 25.307 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -18.875 -10.194 25.564 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -17.700 -11.058 25.091 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.881 -29.633 29.762 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -19.773 -29.391 29.416 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -18.269 -29.244 29.122 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -20.931 -29.987 25.977 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -20.660 -30.903 26.184 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.471 -29.788 25.140 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -17.099 -28.035 26.228 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -17.431 -27.773 25.342 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -17.374 -28.970 26.318 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -18.731 -29.332 18.420 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -18.427 -29.334 17.487 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -18.268 -30.105 18.821 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.362 -11.652 21.994 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -16.052 -12.227 21.603 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.586 -12.246 22.085 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -13.698 -15.306 38.591 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -14.102 -14.548 39.026 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.443 -15.951 38.493 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -11.428 -22.295 39.216 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -10.593 -22.793 39.118 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -11.834 -22.334 38.316 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -15.674 -17.099 38.634 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -15.665 -18.049 38.856 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -16.248 -17.045 37.833 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -11.718 -22.691 41.940 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -12.316 -21.980 42.227 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -11.731 -22.635 40.962 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -10.091 -21.566 46.876 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -10.507 -22.439 46.912 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -9.938 -21.338 47.803 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -15.105 -19.754 39.162 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -14.192 -19.790 39.527 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.559 -20.488 39.586 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -9.001 -24.004 38.951 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -8.331 -23.299 38.971 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -8.513 -24.781 38.615 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -13.393 -9.083 -2.951 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -13.992 -8.939 -3.717 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.970 -9.930 -3.140 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -16.579 -9.746 -6.750 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -17.290 -9.501 -6.105 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -17.040 -9.813 -7.592 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.129 -8.264 -4.936 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.873 -7.977 -4.379 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.558 -8.750 -5.673 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -12.339 -4.745 -1.708 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -12.616 -4.511 -2.623 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -11.378 -4.524 -1.691 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -16.781 -4.163 -1.236 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -16.631 -4.884 -0.596 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -16.760 -3.348 -0.688 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -17.836 -4.977 -3.686 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -17.767 -4.608 -2.781 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -17.167 -4.478 -4.194 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.293 -8.769 -4.931 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -17.963 -8.562 -4.040 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -18.990 -8.094 -5.089 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.482 -3.458 -3.614 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -15.821 -3.754 -2.745 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.364 -2.486 -3.505 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.030 -0.855 -3.006 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.095 0.002 -3.436 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.554 -0.671 -2.172 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -19.795 -6.470 -4.923 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -20.585 -5.931 -5.005 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -19.128 -5.864 -4.537 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -16.882 -4.170 3.792 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -17.620 -4.697 3.460 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -17.161 -3.239 3.629 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.349 -2.058 0.525 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.623 -2.517 0.987 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.054 -1.127 0.484 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.314 -6.127 0.795 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.833 -6.849 0.377 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.138 -6.457 1.703 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -16.571 -9.369 2.024 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -16.249 -10.275 1.797 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.019 -9.066 1.208 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -13.615 -0.341 -0.707 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -12.844 0.008 -1.213 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -13.309 -1.216 -0.381 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -12.764 -6.830 -5.285 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -12.870 -5.888 -5.018 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -13.674 -7.193 -5.241 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.007 -7.452 -2.833 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.413 -6.624 -3.173 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.103 -7.175 -2.548 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.065 -9.497 -5.753 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -11.351 -9.583 -5.082 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -12.277 -8.541 -5.752 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -16.594 -12.195 5.757 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -16.767 -12.692 4.925 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -16.972 -12.767 6.458 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -9.769 -9.148 12.437 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -10.004 -8.214 12.236 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -8.982 -9.073 13.027 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -13.949 -5.425 13.512 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.258 -4.554 13.781 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.665 -5.851 14.355 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -12.735 -5.745 11.051 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.102 -5.538 11.937 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -13.474 -6.145 10.578 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.661 -11.634 11.101 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.956 -11.356 10.204 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.239 -12.401 11.313 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.738 -11.912 1.541 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.202 -12.579 1.070 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -16.218 -12.430 2.221 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -17.760 -1.758 2.899 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -18.523 -1.170 2.876 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -17.428 -1.758 1.979 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -16.504 -9.590 4.828 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.702 -10.457 5.247 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -16.760 -9.712 3.895 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.795 -5.583 2.974 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.460 -4.946 2.642 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.914 -5.571 3.939 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.165 -10.026 13.333 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -11.303 -9.633 13.073 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.465 -10.490 12.526 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.400 0.529 1.094 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.711 0.375 0.404 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.637 1.457 0.990 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.233 -5.698 6.093 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -13.739 -6.538 6.022 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -13.729 -5.181 6.764 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -16.327 -5.641 6.063 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -15.877 -5.017 6.663 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -16.530 -5.104 5.270 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.436 -0.973 3.191 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.158 -1.023 3.826 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -14.770 -0.367 2.496 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.867 -4.082 1.828 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.431 -4.011 2.628 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.311 -4.771 1.285 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -17.705 -8.244 -0.272 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -18.638 -8.491 -0.295 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -17.467 -8.117 -1.218 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -15.451 -6.797 11.537 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.994 -6.687 12.391 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -15.452 -7.763 11.384 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -13.159 -12.935 17.176 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -13.385 -12.075 17.600 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -13.702 -13.581 17.654 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.592 -9.612 5.235 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -13.284 -8.968 5.512 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -13.038 -10.486 5.317 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.293 -9.228 15.664 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -12.767 -9.501 14.871 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.965 -9.795 16.378 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.588 -7.130 3.279 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -15.999 -8.002 3.076 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -15.723 -7.023 4.239 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.761 -11.419 14.777 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.454 -10.541 15.085 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -15.343 -11.737 15.504 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.766 -9.348 10.309 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.917 -10.252 9.966 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.979 -8.766 9.550 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -13.601 -11.288 8.545 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -13.624 -11.539 7.596 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.506 -11.496 8.867 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -16.104 -12.040 9.437 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -16.528 -12.587 8.742 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -16.389 -12.459 10.273 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -13.903 -11.891 5.879 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -13.650 -12.553 5.190 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -14.889 -11.921 5.884 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.967 -10.457 25.139 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -12.369 -9.991 24.525 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.529 -10.366 26.009 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -15.068 -9.429 20.441 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -15.673 -8.785 20.816 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.101 -10.184 21.069 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.970 -11.138 24.604 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.775 -11.192 23.643 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -15.132 -10.835 24.998 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -10.661 -9.305 23.663 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -9.895 -8.828 24.057 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -10.832 -8.837 22.840 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -6.892 -31.067 2.136 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -6.139 -30.887 1.534 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -7.670 -31.079 1.545 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 5.001 -32.050 3.813 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 4.990 -31.376 3.109 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 4.059 -32.110 4.099 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -9.362 -31.353 0.741 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -9.655 -31.701 1.609 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -9.827 -31.901 0.097 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -5.980 -28.810 3.620 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -6.253 -29.706 3.341 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -5.603 -28.942 4.515 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 0.242 -32.894 0.994 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 1.195 -32.898 0.834 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 0.030 -33.829 1.211 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.116 -31.837 4.191 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -11.232 -31.820 3.779 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.342 -32.772 4.226 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -3.067 -28.166 0.672 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -2.587 -28.623 1.398 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -3.465 -27.394 1.106 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -1.842 -25.157 2.344 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -2.559 -25.665 2.766 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -1.024 -25.556 2.709 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -10.501 -26.630 -3.636 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -10.832 -27.501 -3.309 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -10.618 -26.680 -4.608 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 1.942 -34.894 3.627 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 1.480 -35.300 4.400 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 1.349 -35.085 2.875 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -0.313 -39.120 11.093 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -0.895 -38.691 10.421 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -0.389 -40.060 10.904 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -8.580 -39.741 13.376 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -8.641 -39.507 12.416 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -8.253 -40.662 13.370 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 4.154 -36.595 12.474 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 4.397 -37.360 13.031 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 5.011 -36.243 12.179 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -9.165 -44.316 11.012 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -10.080 -44.510 11.302 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -8.939 -45.062 10.416 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -2.167 -37.953 9.484 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -3.063 -38.021 9.872 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -2.243 -37.239 8.824 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -6.107 -44.974 8.289 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -6.157 -44.693 7.357 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -5.833 -44.171 8.766 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -12.014 -41.677 10.425 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -11.799 -41.624 11.381 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -11.329 -41.103 9.998 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -6.084 -40.395 11.192 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -6.959 -39.974 11.016 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -5.965 -41.021 10.448 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -0.854 -33.392 6.203 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -0.440 -32.554 5.892 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -1.819 -33.213 6.153 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -5.250 -36.708 13.397 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -4.850 -35.959 12.902 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -4.812 -36.678 14.274 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -8.400 -46.151 9.091 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -8.257 -47.103 9.093 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -7.513 -45.774 8.865 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -3.795 -34.712 12.175 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -3.515 -34.181 12.938 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -3.001 -34.762 11.611 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 3.237 -34.002 12.904 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 2.294 -34.074 12.625 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 3.580 -34.915 12.794 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 0.721 -34.710 12.304 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 0.840 -35.620 12.644 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -0.010 -34.792 11.657 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -1.870 -35.525 7.851 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -1.356 -34.741 7.576 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -2.426 -35.731 7.066 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 2.627 -34.981 16.822 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 1.725 -34.689 17.082 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 2.470 -35.565 16.057 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -8.772 -42.417 9.035 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -8.993 -42.897 9.858 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -9.222 -41.537 9.139 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -3.820 -33.340 14.675 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -4.738 -33.594 14.505 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -3.843 -32.959 15.589 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -11.029 -42.905 16.007 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -10.836 -42.871 16.968 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -10.827 -42.000 15.690 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -1.442 -35.246 10.676 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -1.542 -35.410 9.715 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -1.642 -36.112 11.090 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 4.653 -34.873 4.427 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 3.724 -35.019 4.154 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 4.867 -33.994 4.075 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 2.018 -35.970 19.402 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 2.520 -35.767 18.591 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 1.699 -35.094 19.710 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -7.676 -37.489 14.543 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -7.952 -38.334 14.124 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -6.853 -37.247 14.073 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -7.981 -42.301 12.556 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -8.210 -43.109 12.052 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -7.184 -41.960 12.114 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -6.058 -42.207 9.119 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -7.033 -42.251 8.991 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -5.708 -41.976 8.231 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -13.481 -43.848 15.546 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -13.489 -44.665 16.053 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -12.549 -43.519 15.632 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -10.032 -43.486 4.692 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -9.953 -43.843 5.599 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -10.934 -43.098 4.665 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -8.301 -41.750 3.547 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -8.875 -40.959 3.585 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -8.894 -42.485 3.819 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -7.064 -43.856 5.854 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -7.925 -44.108 6.253 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -7.292 -43.594 4.949 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -5.361 -41.865 6.489 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -5.088 -41.554 5.603 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -5.967 -42.613 6.298 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -5.691 -40.980 3.841 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -6.581 -41.325 3.596 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -5.549 -40.225 3.228 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -9.215 -37.213 16.724 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -8.539 -37.095 17.431 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -8.679 -37.281 15.894 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -4.226 -38.334 11.441 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -4.711 -37.786 12.096 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -4.781 -39.142 11.353 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -13.352 -41.850 8.052 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -13.013 -42.667 7.673 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -13.040 -41.866 8.984 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -5.724 -36.671 4.884 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -5.782 -37.569 5.281 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -6.504 -36.199 5.250 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 1.012 -36.406 15.068 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 1.151 -36.998 14.297 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 0.929 -37.021 15.836 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -2.464 -34.114 18.870 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -2.359 -33.684 19.750 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -2.900 -33.424 18.315 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -3.118 -35.952 5.422 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -2.861 -35.428 4.641 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -4.016 -36.283 5.202 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -10.767 -41.930 12.841 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -9.797 -42.046 12.775 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -10.887 -41.396 13.655 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -3.912 -36.125 15.770 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -4.502 -35.460 16.190 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -3.216 -35.592 15.337 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 8.030 -36.247 8.331 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 7.341 -36.779 8.743 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 7.584 -35.839 7.554 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 1.348 -37.438 12.581 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 0.919 -38.101 11.999 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 2.255 -37.361 12.233 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -12.534 -39.445 4.940 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -13.171 -38.725 4.838 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -12.275 -39.400 5.887 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -8.751 -38.264 5.675 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -7.888 -38.695 5.832 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -8.563 -37.312 5.776 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -1.498 -35.414 14.484 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -1.728 -36.059 13.778 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -0.617 -35.714 14.799 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 0.213 -35.817 5.456 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -0.121 -34.945 5.759 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -0.357 -36.455 5.901 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 2.869 -28.584 4.877 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 1.911 -28.791 4.851 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 2.904 -27.601 4.762 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -0.959 -30.975 -0.596 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -0.597 -31.743 -0.110 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -0.333 -30.255 -0.399 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -3.573 -32.968 6.337 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -3.930 -33.060 7.227 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -4.281 -33.279 5.762 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -9.569 -32.413 3.308 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -8.615 -32.229 3.304 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -9.667 -33.166 3.933 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -1.413 -31.827 2.956 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -0.843 -31.565 3.721 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -0.775 -32.044 2.244 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -2.080 -29.110 3.058 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -2.119 -30.084 2.973 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -1.305 -28.954 3.645 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -7.972 -35.633 6.095 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.024 -35.627 7.082 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -8.720 -35.069 5.813 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -10.042 -39.588 3.714 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -10.991 -39.593 3.954 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -9.610 -39.114 4.465 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 0.812 -29.001 0.266 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 1.128 -28.101 0.492 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 1.053 -29.543 1.058 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -0.278 -35.415 2.017 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -0.386 -36.372 1.976 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -1.068 -35.105 2.516 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -11.712 -38.181 16.569 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -12.102 -37.333 16.290 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -10.774 -37.954 16.771 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -5.776 -38.534 2.644 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -6.668 -38.526 2.229 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -5.726 -37.690 3.120 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -7.318 -36.269 18.377 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -7.597 -35.398 18.715 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -6.453 -36.099 17.975 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -2.558 -34.297 3.084 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -2.205 -33.378 3.160 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -3.360 -34.198 2.557 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 0.036 -34.314 17.322 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -0.605 -35.003 17.594 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -0.114 -33.583 17.958 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -6.162 -39.197 5.883 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -5.956 -39.838 6.585 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -6.028 -39.707 5.054 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -10.695 -40.323 15.075 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.106 -39.604 15.595 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -9.932 -39.895 14.631 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -1.858 -36.443 17.660 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -2.595 -36.622 17.042 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -2.205 -35.735 18.249 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -1.884 -37.303 12.517 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -2.744 -37.679 12.227 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -1.236 -37.999 12.295 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 0.637 -37.618 17.472 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 1.070 -37.283 18.277 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -0.304 -37.367 17.585 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -8.334 -38.809 1.690 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -8.546 -39.437 0.994 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -8.973 -39.018 2.405 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 2.658 -31.776 14.429 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 2.746 -32.520 13.796 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 3.245 -32.033 15.174 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 1.068 -33.667 20.588 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 0.597 -32.808 20.577 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 0.504 -34.233 21.153 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 6.849 -35.713 12.817 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 7.729 -35.421 12.498 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 6.491 -34.927 13.278 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 4.297 -32.888 16.323 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 3.848 -33.749 16.493 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 4.014 -32.326 17.074 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -9.390 -44.321 7.230 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -9.236 -45.075 7.832 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.247 -43.529 7.799 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -11.860 -44.154 11.707 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -11.466 -43.562 12.384 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -12.070 -43.557 10.966 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 2.339 -32.255 4.165 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 2.161 -33.216 4.059 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 1.541 -31.912 4.636 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -10.080 -34.642 17.057 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -9.746 -35.562 16.971 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -9.366 -34.176 17.530 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -5.562 -34.288 16.984 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -4.911 -33.592 17.242 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -6.409 -33.959 17.332 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 2.735 -30.176 9.747 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 3.613 -30.617 9.807 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 2.331 -30.559 8.965 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 2.712 -31.515 18.112 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 2.713 -30.605 17.750 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 1.757 -31.731 18.208 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -8.471 -33.419 30.596 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -8.308 -33.991 31.352 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -7.670 -32.855 30.546 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -2.679 -31.475 26.886 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -2.276 -32.286 26.514 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -3.392 -31.253 26.254 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -2.683 -36.006 23.886 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -3.339 -35.303 23.696 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -3.218 -36.777 24.103 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -12.162 -30.024 24.871 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.541 -29.258 24.904 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -11.850 -30.604 25.582 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -3.207 -34.027 30.188 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -2.496 -34.660 29.944 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -3.214 -34.039 31.170 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 0.515 -32.762 26.213 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -0.375 -33.025 25.897 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 0.898 -32.261 25.454 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 0.644 -35.226 27.435 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 1.048 -35.672 26.661 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 0.555 -34.298 27.149 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -4.076 -31.717 29.185 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -3.561 -31.668 28.348 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -3.842 -32.610 29.557 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -3.426 -33.663 32.914 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -2.821 -33.049 33.388 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -4.155 -33.790 33.524 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -1.918 -33.635 25.304 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -2.582 -33.452 24.612 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -1.768 -34.594 25.236 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 1.477 -31.398 24.078 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 2.088 -30.807 24.576 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 1.179 -30.850 23.327 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -11.484 -30.123 27.758 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -10.914 -30.793 28.200 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -10.902 -29.361 27.641 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -5.364 -31.599 35.239 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -6.204 -31.855 35.694 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -4.676 -31.803 35.884 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -7.858 -31.044 26.526 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -7.904 -30.140 26.919 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -8.458 -31.571 27.081 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 1.743 -36.192 22.179 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 1.880 -36.440 21.241 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 0.812 -35.882 22.210 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -6.419 -32.752 22.580 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -7.229 -33.288 22.375 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -6.776 -31.922 22.971 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -4.018 -33.649 23.443 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -3.466 -33.433 22.645 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -4.941 -33.458 23.151 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 4.290 -32.752 24.552 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 4.030 -33.194 23.721 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 3.549 -32.158 24.747 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -4.847 -31.398 25.120 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -5.661 -31.130 24.641 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -4.593 -32.239 24.700 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -7.195 -30.519 23.968 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -7.255 -29.539 24.056 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -7.612 -30.855 24.800 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -7.002 -32.215 33.080 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -6.679 -31.969 32.187 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -6.257 -32.000 33.673 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -7.358 -27.996 24.930 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -6.870 -27.129 24.867 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -7.640 -28.041 25.874 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -0.738 -35.019 22.179 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -1.296 -35.485 22.836 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -1.340 -34.340 21.793 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -0.526 -30.270 32.602 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 0.304 -30.334 32.080 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -1.223 -30.151 31.925 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 5.961 -29.989 20.282 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 5.689 -29.748 19.367 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 6.798 -30.477 20.156 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 1.667 -35.608 24.909 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 1.778 -36.022 24.031 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 1.877 -34.679 24.761 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -9.481 -31.640 28.769 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -9.264 -32.382 29.377 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -8.843 -30.934 29.015 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -10.743 -35.282 20.574 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -11.586 -34.954 20.187 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -10.733 -36.217 20.354 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -7.782 -33.523 18.637 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -8.402 -32.904 19.072 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -6.919 -33.347 19.085 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -1.238 -35.778 29.369 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -0.555 -35.501 28.721 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -1.098 -36.721 29.466 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -10.100 -28.307 25.293 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -9.636 -28.335 26.162 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -9.397 -28.084 24.664 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -0.042 -31.718 18.269 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -0.282 -31.675 19.231 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -0.805 -31.280 17.817 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -5.446 -33.023 20.003 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -4.489 -33.145 20.084 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -5.744 -32.862 20.919 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -8.737 -33.850 21.777 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -9.364 -34.556 21.509 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -9.049 -33.067 21.297 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -12.175 -35.682 15.433 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -12.424 -34.932 14.845 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -11.423 -35.332 15.955 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -14.017 -30.723 26.956 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -13.166 -30.519 27.405 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -13.847 -30.512 26.027 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.715 -32.183 28.610 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.257 -32.319 27.749 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.968 -33.073 28.883 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 1.669 -29.395 28.068 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 1.867 -30.346 28.180 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 0.686 -29.357 28.054 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -7.724 -32.345 36.408 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -8.251 -32.564 37.180 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -8.388 -32.164 35.706 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -4.455 -29.408 33.757 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -4.905 -30.136 34.234 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -3.562 -29.369 34.174 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -2.040 -29.156 34.971 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -1.247 -29.188 34.406 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -1.917 -28.347 35.516 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -9.403 -31.798 34.253 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -8.560 -31.980 33.775 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -9.979 -31.429 33.578 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -1.972 -31.855 34.332 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -1.314 -31.561 33.669 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -2.161 -31.049 34.842 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 1.481 -30.330 30.734 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 1.604 -29.657 30.049 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 1.528 -31.172 30.248 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -16.066 -30.230 28.619 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -16.418 -31.056 29.017 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -15.300 -30.531 28.068 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -6.466 -31.566 30.469 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -5.592 -31.669 30.031 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -6.906 -30.835 29.965 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -1.088 -29.582 28.344 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -1.607 -30.153 27.742 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -1.515 -29.702 29.215 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -2.075 -20.704 -4.671 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -2.637 -21.445 -4.937 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -2.330 -19.980 -5.280 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 1.326 -16.271 -5.799 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 1.634 -15.888 -6.625 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 1.596 -15.618 -5.115 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 0.432 -12.940 -5.288 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -0.255 -13.609 -5.384 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 1.140 -13.396 -4.788 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -2.622 -18.886 -6.734 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -2.036 -19.538 -7.195 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -2.240 -18.031 -6.957 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -0.854 -24.220 -5.530 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -0.347 -24.765 -4.900 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -1.785 -24.344 -5.256 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -7.749 -21.999 -3.051 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -6.857 -22.302 -3.340 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -7.765 -21.053 -3.278 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -0.750 -20.614 -7.600 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 0.008 -20.652 -6.990 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -0.815 -21.528 -7.958 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 4.611 -23.794 0.096 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 4.836 -23.016 0.665 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 5.031 -24.543 0.554 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -7.666 -25.697 0.761 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -7.288 -26.594 0.909 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -8.233 -25.806 -0.033 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -5.150 -22.767 -3.650 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -4.797 -23.509 -4.174 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -4.381 -22.463 -3.120 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 2.208 -14.555 -3.863 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 2.136 -13.932 -3.099 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 2.832 -15.244 -3.550 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 5.086 -20.071 -1.189 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 4.672 -20.562 -0.456 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 5.554 -19.332 -0.743 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -7.240 -18.087 -7.217 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -7.556 -17.292 -7.712 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -7.339 -18.808 -7.846 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -5.273 -15.980 -4.460 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -5.230 -16.848 -4.906 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -5.283 -16.205 -3.505 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -5.060 -18.565 -5.459 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -5.820 -18.474 -6.072 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -4.290 -18.704 -6.051 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -2.979 -12.125 -1.930 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -2.045 -11.836 -1.984 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -2.999 -12.977 -2.434 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -11.639 -18.708 -0.473 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -11.602 -18.693 -1.444 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -11.644 -19.660 -0.253 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -9.486 -14.799 -5.244 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -9.298 -15.753 -5.116 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -8.627 -14.358 -5.055 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 3.875 -15.961 -0.463 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 3.533 -16.837 -0.172 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.859 -16.018 -1.443 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -7.556 -12.693 -8.847 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -7.370 -13.235 -9.637 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -8.269 -13.187 -8.383 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -1.792 -27.250 -4.525 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -1.731 -27.534 -3.600 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -0.875 -27.196 -4.816 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 0.120 -23.202 -1.097 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 0.450 -23.124 -2.014 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 0.898 -22.971 -0.544 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -7.445 -19.006 -3.123 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -7.556 -18.389 -2.372 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -6.489 -19.217 -3.118 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -1.421 -8.075 1.021 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -1.135 -7.577 1.816 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -0.625 -8.569 0.748 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -0.923 -23.308 -8.096 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -0.852 -23.620 -7.164 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -1.018 -24.114 -8.607 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -4.745 -19.541 -2.888 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -4.727 -19.257 -3.829 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -3.816 -19.740 -2.681 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 1.905 -18.474 -4.300 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 1.581 -17.764 -4.899 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 1.477 -19.288 -4.642 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -8.909 -17.532 -4.975 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.476 -18.080 -4.285 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -8.390 -17.718 -5.782 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 2.882 -18.459 -0.127 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 3.072 -18.765 -1.025 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 3.300 -19.138 0.452 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 0.628 -20.780 -5.154 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -0.340 -20.915 -5.078 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.016 -21.561 -4.696 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -8.276 -16.001 -8.683 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -8.037 -15.611 -9.543 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -8.923 -15.372 -8.309 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -5.092 -16.703 -1.829 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -4.752 -17.609 -1.707 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -5.991 -16.737 -1.450 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -0.524 -10.650 -1.828 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 0.336 -10.526 -2.281 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -0.332 -10.412 -0.894 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -9.486 -26.160 -1.192 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -9.763 -26.279 -2.132 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -9.635 -27.044 -0.788 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 0.467 -25.463 -3.399 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.328 -25.431 -2.827 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 1.133 -25.933 -2.857 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -2.978 -22.064 -2.162 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -2.571 -22.604 -1.459 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -2.237 -21.566 -2.541 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 2.525 -26.461 -1.515 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 2.189 -26.429 -0.594 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 3.300 -27.051 -1.461 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.416 -22.830 -3.548 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.053 -23.673 -3.881 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 2.310 -23.076 -3.211 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 1.756 -12.748 -1.916 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 0.968 -12.704 -1.352 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 1.908 -11.822 -2.192 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -2.083 -25.366 -2.129 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -2.240 -24.847 -1.314 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -1.865 -26.267 -1.802 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -3.462 -31.299 -1.564 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -3.298 -31.501 -2.488 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -2.563 -31.142 -1.189 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -2.238 -23.715 0.039 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -1.298 -23.581 -0.227 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -2.179 -24.176 0.909 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 0.356 -26.506 3.417 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 1.173 -26.184 3.867 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 0.151 -27.353 3.878 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -5.054 -30.023 0.258 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -4.357 -29.343 0.385 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -4.688 -30.605 -0.447 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -3.825 -26.986 3.139 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -3.138 -27.680 3.250 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -4.654 -27.434 3.397 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -9.791 -13.775 -7.757 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -9.770 -14.121 -6.835 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -10.504 -13.101 -7.741 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 2.245 -14.382 1.073 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 2.764 -14.908 0.429 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 2.916 -13.986 1.648 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 3.680 -16.791 -3.071 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 2.979 -17.385 -3.427 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 4.512 -17.263 -3.276 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -0.216 -14.156 -0.224 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -0.051 -14.851 -0.871 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 0.598 -14.142 0.328 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -11.672 -19.935 -3.088 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -11.560 -20.477 -2.280 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -11.890 -20.588 -3.781 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.506 -24.035 -2.379 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 4.065 -23.853 -1.598 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 3.177 -24.944 -2.228 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 2.214 -22.435 0.396 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 2.861 -23.148 0.223 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 2.769 -21.688 0.723 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -9.615 -23.384 -1.492 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -9.415 -24.341 -1.506 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -8.990 -22.996 -2.147 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 4.388 -29.661 2.488 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 3.428 -29.853 2.431 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 4.431 -28.681 2.527 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.338 -24.890 -4.512 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -3.030 -24.911 -3.580 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -3.164 -25.794 -4.836 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -12.042 -22.279 -4.577 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -12.364 -23.185 -4.362 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -11.123 -22.412 -4.836 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 4.483 -26.886 2.380 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 5.208 -26.221 2.332 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 3.977 -26.624 3.193 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -11.345 -28.755 -2.169 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -10.707 -28.861 -1.441 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -12.195 -28.555 -1.717 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -3.947 -9.532 -1.889 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -3.440 -9.211 -2.653 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -3.697 -10.476 -1.818 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -2.853 -13.558 0.410 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -3.039 -13.082 -0.423 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -1.930 -13.871 0.302 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -1.247 -27.817 -1.375 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -0.455 -28.266 -1.029 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -1.952 -28.048 -0.729 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -6.376 -12.542 -2.428 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -5.518 -12.130 -2.255 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -6.994 -12.066 -1.850 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -3.276 -14.642 -2.947 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -3.709 -14.933 -3.767 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -3.631 -15.240 -2.270 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -1.898 -9.331 -3.834 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -1.494 -9.791 -4.603 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -1.506 -9.785 -3.055 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -10.378 -12.151 -2.765 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -9.657 -12.174 -2.111 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -10.829 -13.002 -2.650 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -6.904 -13.797 -4.844 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -6.302 -14.574 -4.836 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -6.742 -13.363 -3.977 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -9.375 -28.707 -0.100 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -9.494 -29.640 0.174 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -8.494 -28.469 0.256 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -6.945 -28.247 1.091 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -6.726 -28.348 2.043 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -6.329 -28.866 0.638 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 1.593 -30.186 2.562 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 1.028 -29.746 3.237 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 1.903 -31.001 3.010 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 0.641 -9.933 0.562 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 1.608 -9.958 0.674 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 0.295 -10.322 1.399 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 6.595 -16.215 5.014 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 6.085 -16.432 5.825 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 6.456 -15.255 4.899 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -5.185 -24.614 2.698 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.933 -24.864 3.277 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -4.529 -25.323 2.843 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 2.578 -12.075 3.974 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 2.270 -12.681 4.664 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 3.214 -12.612 3.450 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 9.235 -27.520 4.668 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 9.554 -27.510 3.742 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 8.575 -26.794 4.703 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -3.174 -12.200 25.188 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -2.366 -12.692 24.965 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -2.868 -11.285 25.303 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 13.358 -27.906 31.727 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 14.290 -27.619 31.747 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 13.088 -27.781 30.794 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 4.377 -24.888 33.068 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 4.576 -24.284 33.821 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 3.956 -25.648 33.480 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 4.057 -17.744 32.049 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 3.689 -16.994 31.545 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 3.575 -17.709 32.911 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -4.315 -17.895 34.576 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -4.799 -17.678 33.764 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -3.897 -17.038 34.841 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.968 -17.868 34.402 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -7.359 -17.134 34.613 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -8.401 -18.065 35.244 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 0.935 -29.788 21.835 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 1.806 -30.085 21.481 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 0.292 -30.429 21.453 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -11.654 -17.790 34.635 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -11.113 -17.597 35.430 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -12.210 -16.992 34.525 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -12.687 -15.412 33.312 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -13.426 -14.824 33.053 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -12.524 -15.946 32.517 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 2.793 -17.324 34.368 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.410 -17.598 35.216 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 2.314 -16.501 34.143 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -2.964 -15.721 35.531 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -2.939 -14.848 35.968 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -2.020 -15.971 35.441 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -10.666 -12.519 28.555 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -10.930 -11.674 28.144 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -9.834 -12.756 28.100 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 4.871 -23.084 35.034 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 5.611 -23.321 35.631 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 4.930 -22.110 34.954 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -2.550 -29.964 30.691 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -2.950 -30.760 30.286 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -3.318 -29.447 30.999 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -1.982 -24.140 35.276 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -1.789 -23.339 35.816 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -2.797 -23.903 34.785 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 4.811 -20.343 31.926 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 4.448 -19.434 31.819 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 5.695 -20.295 31.504 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -5.873 -15.689 32.390 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -6.809 -15.504 32.150 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -5.377 -15.467 31.597 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -8.336 -12.592 27.046 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -8.797 -12.306 26.227 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -7.449 -12.858 26.737 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 1.180 -12.572 33.342 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 1.609 -12.040 32.646 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 1.532 -12.210 34.167 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -9.874 -17.441 32.553 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -10.603 -17.638 33.179 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -9.067 -17.751 33.028 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.043 -24.782 30.799 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -0.388 -25.167 31.643 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -0.373 -25.377 30.117 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 2.718 -15.496 31.054 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 3.057 -15.671 30.158 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 3.147 -14.650 31.306 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -9.770 -12.824 35.824 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -9.922 -11.888 36.002 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -10.486 -13.287 36.333 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -6.311 -15.574 38.382 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -5.982 -16.411 37.962 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -7.166 -15.402 37.925 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -0.591 -13.689 38.243 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -0.899 -14.528 38.658 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 0.219 -13.476 38.716 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -4.490 -20.938 35.321 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -4.443 -20.192 34.703 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -4.109 -21.686 34.823 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -4.972 -20.413 37.908 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.771 -20.685 36.979 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -4.124 -20.549 38.383 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -1.852 -21.719 36.600 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -2.160 -21.565 37.509 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -1.915 -20.840 36.177 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 2.657 -20.341 36.308 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 2.204 -21.099 35.924 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 3.489 -20.269 35.787 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -5.127 -28.948 31.100 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -6.061 -29.135 30.907 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -5.034 -29.148 32.058 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -1.367 -25.600 33.015 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -2.202 -26.119 33.058 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -1.337 -25.133 33.874 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -1.985 -26.688 36.434 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -1.996 -25.833 35.959 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.536 -26.480 37.281 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -3.870 -26.733 33.316 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -4.010 -27.691 33.449 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -4.754 -26.398 33.065 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -0.631 -25.336 38.492 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -0.699 -24.770 39.290 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -0.010 -24.869 37.929 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -9.709 -11.666 24.848 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -9.845 -10.903 24.252 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -10.419 -12.300 24.587 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -12.018 -12.862 24.100 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -12.568 -12.189 24.546 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -12.602 -13.229 23.409 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 4.218 -13.211 31.331 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 3.769 -12.340 31.375 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 4.386 -13.441 32.277 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 4.195 -13.886 33.954 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 3.517 -13.592 34.583 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 4.730 -14.536 34.464 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.827 -16.835 37.481 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 2.933 -17.174 37.270 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 4.259 -17.580 37.951 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 6.534 -17.244 29.399 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 6.486 -17.344 28.423 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 5.981 -16.448 29.578 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 1.192 -15.300 33.405 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 1.093 -14.318 33.403 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 1.636 -15.494 32.553 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 4.857 -20.277 34.667 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 5.378 -19.456 34.757 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 4.764 -20.390 33.696 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 5.272 -21.568 37.969 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 4.415 -21.964 37.771 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 5.915 -22.155 37.532 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -11.330 -27.234 35.267 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -11.041 -27.994 35.781 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -12.137 -27.544 34.808 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 8.961 -25.393 35.942 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 8.912 -25.820 35.070 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 9.879 -25.548 36.231 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -9.888 -14.072 39.579 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -9.904 -13.420 40.281 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -9.242 -14.742 39.888 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -5.586 -13.538 36.600 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -5.803 -14.084 37.379 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -4.621 -13.379 36.681 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -2.858 -13.210 36.785 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -2.706 -12.365 36.344 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -2.064 -13.329 37.356 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 10.771 -31.845 34.756 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 10.552 -32.738 35.045 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 11.678 -31.914 34.434 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -8.495 -15.174 36.790 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -7.896 -15.295 36.017 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -8.952 -14.332 36.608 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -6.556 -15.538 34.962 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -6.035 -14.851 35.426 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -6.219 -15.509 34.037 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -7.276 -12.477 34.450 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -8.129 -12.652 34.881 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -6.616 -12.672 35.140 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.442 -16.745 35.144 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 0.044 -16.257 34.444 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 0.262 -17.084 35.732 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 3.487 -10.707 34.516 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 3.152 -11.390 35.134 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 4.311 -10.412 34.916 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -11.795 -16.526 30.832 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -10.974 -16.859 31.258 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -11.621 -15.566 30.695 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 8.866 -29.206 31.591 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 8.933 -29.702 32.419 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 8.929 -28.281 31.864 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 4.626 -27.415 26.723 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 4.750 -27.083 25.808 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 5.485 -27.848 26.939 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -14.315 -35.164 33.408 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -13.647 -35.002 32.737 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -13.948 -35.869 33.945 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -4.794 -26.609 36.650 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -4.862 -26.771 35.702 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -3.838 -26.684 36.836 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 2.422 -12.830 35.932 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 1.574 -13.280 36.044 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 2.976 -13.176 36.674 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -12.734 -20.201 42.793 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -12.016 -20.109 43.458 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -13.476 -19.722 43.179 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -10.785 -19.955 44.709 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -10.376 -19.115 44.952 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -10.632 -20.531 45.490 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.146 -20.519 39.931 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -0.339 -20.097 40.671 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 1.052 -20.132 39.983 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -2.508 -20.778 39.151 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -2.654 -20.232 39.946 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -1.615 -21.153 39.287 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -5.479 -20.766 43.977 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -5.224 -20.011 44.516 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -6.271 -21.133 44.436 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -12.539 -19.849 40.062 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -12.028 -20.611 39.711 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -12.446 -19.926 41.034 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 2.532 -19.207 40.160 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 2.844 -18.901 41.016 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 3.316 -19.128 39.578 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -1.047 -22.906 42.967 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.726 -23.351 43.756 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -2.023 -22.864 43.094 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -7.804 -21.559 45.167 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -8.290 -21.765 44.341 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -8.489 -21.585 45.857 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -6.367 -23.115 38.475 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -6.398 -24.099 38.431 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -5.530 -22.925 38.913 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -10.039 -26.087 40.518 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -10.859 -25.873 40.972 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -9.812 -25.268 40.034 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -9.428 -21.571 42.947 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -9.952 -20.923 43.457 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -10.106 -22.167 42.554 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -3.738 -22.816 43.370 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -4.315 -22.056 43.593 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -4.352 -23.518 43.138 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.781 -19.376 41.548 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -2.002 -19.831 42.369 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -2.011 -18.435 41.724 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -0.462 -23.216 40.304 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -0.641 -23.204 41.270 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -0.039 -22.356 40.131 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -0.795 -18.416 38.288 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -0.636 -19.218 38.826 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -1.437 -18.708 37.608 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -7.622 -19.793 41.813 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -8.254 -20.486 42.098 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -6.787 -20.050 42.228 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 1.430 -17.976 36.772 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 0.716 -18.076 37.445 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 1.813 -18.885 36.694 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -5.545 -17.804 37.114 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -5.207 -17.803 36.198 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -5.342 -18.701 37.442 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -2.465 -16.741 42.004 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -2.400 -16.087 42.710 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -3.220 -16.423 41.451 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -4.145 -15.623 40.180 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -3.380 -15.446 39.606 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -4.911 -15.590 39.574 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -7.730 -27.533 40.323 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -8.597 -27.080 40.432 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -7.779 -28.282 40.920 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.642 -18.234 39.715 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.579 -17.329 40.065 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.341 -18.799 40.458 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -1.394 -15.989 39.433 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -1.194 -16.810 38.930 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -1.501 -16.295 40.350 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 3.785 -14.106 37.889 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 3.714 -15.080 37.783 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 4.716 -13.959 38.083 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -2.062 -18.954 35.859 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -2.925 -18.695 35.478 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -1.438 -18.287 35.507 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 4.954 -19.005 38.816 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 4.987 -19.920 38.443 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 5.863 -18.830 39.086 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -12.117 -17.603 38.383 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -12.672 -16.831 38.620 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -12.249 -18.232 39.123 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -6.809 -25.810 38.378 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -6.128 -26.220 37.794 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -7.003 -26.506 39.047 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -7.893 -15.698 40.597 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -7.271 -15.673 39.836 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -7.319 -15.676 41.371 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -3.636 -6.962 -8.183 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -4.120 -6.479 -8.883 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.254 -7.669 -7.910 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -3.006 -1.460 -7.189 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -2.066 -1.363 -7.424 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -3.152 -0.790 -6.494 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -9.736 -3.982 -1.763 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -8.967 -4.131 -1.173 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -9.537 -3.129 -2.199 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 3.156 -0.271 -5.221 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 2.401 -0.132 -5.834 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 3.632 0.583 -5.233 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -0.649 0.383 -4.697 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -0.899 1.327 -4.611 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 0.031 0.378 -5.400 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -2.591 -9.943 -15.029 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -1.815 -10.251 -15.499 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -2.793 -9.097 -15.430 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -9.993 -6.793 -5.209 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -9.658 -7.254 -6.012 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.954 -6.698 -5.373 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -8.567 -4.470 -8.832 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -8.180 -5.359 -8.994 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -9.472 -4.548 -9.143 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 6.339 -8.970 -0.528 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 6.766 -9.799 -0.766 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 6.921 -8.283 -0.913 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -3.322 0.282 -5.033 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -3.433 1.245 -4.971 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -2.363 0.143 -4.862 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 1.734 -8.459 -4.856 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 1.046 -7.785 -4.691 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.530 -7.936 -5.100 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -9.352 0.262 -6.740 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -10.310 0.224 -6.827 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -9.052 0.654 -7.566 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 3.106 3.627 -6.794 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 3.721 3.584 -7.530 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 3.525 3.075 -6.098 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 2.036 -10.141 -2.721 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 2.746 -9.707 -2.231 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 1.976 -9.630 -3.560 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -6.423 -11.558 -6.602 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -6.738 -11.946 -7.445 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -6.472 -12.302 -5.966 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 8.097 -7.115 -1.602 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 9.022 -6.945 -1.811 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 7.834 -6.351 -1.040 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -6.947 -2.974 -7.244 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -7.516 -3.472 -7.874 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -6.035 -3.237 -7.483 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 1.042 0.357 -6.876 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 0.996 1.020 -7.576 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 0.592 -0.433 -7.261 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -5.101 -1.921 -4.735 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -6.003 -1.619 -4.967 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -4.536 -1.144 -4.916 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -1.826 2.827 -4.318 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -1.533 3.059 -3.419 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -1.784 3.676 -4.806 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -10.605 -5.977 1.202 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -11.345 -5.817 1.818 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -10.890 -5.574 0.376 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -4.540 4.475 -1.298 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -4.033 5.114 -1.849 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -4.869 5.005 -0.563 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -11.499 -1.925 -3.974 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -11.863 -1.121 -3.566 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -10.555 -1.899 -3.747 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 0.996 -3.567 -0.171 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 0.906 -4.233 -0.882 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.415 -3.906 0.551 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -11.541 0.363 -2.284 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -11.339 1.309 -2.489 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -10.675 -0.030 -2.115 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 0.560 -4.760 -2.652 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 0.145 -5.558 -3.037 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 1.436 -4.707 -3.101 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.806 -8.136 -7.307 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -8.289 -7.610 -7.957 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -9.056 -8.947 -7.802 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -4.326 -3.761 -7.615 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -3.920 -2.859 -7.555 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -3.797 -4.297 -7.005 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -2.636 -5.761 -5.959 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -2.796 -6.117 -6.866 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -3.191 -6.333 -5.382 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -10.693 -7.501 -2.337 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -10.779 -6.716 -2.898 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -10.540 -8.237 -2.977 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -9.219 -10.502 -8.679 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -10.080 -10.878 -8.400 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -8.628 -11.280 -8.735 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -7.349 -6.849 -9.268 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -7.258 -7.693 -9.770 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -6.526 -6.356 -9.481 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -0.557 -6.883 -4.232 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -0.993 -7.712 -3.946 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -1.205 -6.470 -4.832 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -8.884 -1.529 -2.853 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -8.455 -0.760 -2.457 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -8.480 -1.589 -3.755 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -7.202 -9.386 -10.190 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -6.541 -10.028 -9.914 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -8.039 -9.728 -9.818 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 2.945 -4.756 -3.994 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 3.319 -5.517 -4.482 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 3.513 -3.999 -4.260 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -7.783 -1.386 -5.289 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -8.331 -0.683 -5.712 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -7.536 -1.979 -6.042 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -12.972 -2.845 0.233 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -13.605 -3.320 0.810 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -12.782 -3.482 -0.489 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 3.335 2.039 -0.593 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 2.983 1.330 -1.171 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 3.833 2.618 -1.204 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -0.272 -1.836 -7.775 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -0.037 -2.322 -8.572 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -0.384 -2.540 -7.087 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -1.578 8.149 -5.651 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -0.937 8.901 -5.648 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -2.243 8.410 -6.298 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -5.199 -5.220 -9.715 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -4.905 -4.631 -8.981 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -5.271 -4.632 -10.475 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -2.388 -9.514 -7.072 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -1.563 -9.904 -6.710 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -2.081 -8.836 -7.689 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 4.683 -5.837 -1.168 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 3.924 -5.304 -1.440 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 4.319 -6.449 -0.496 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -0.603 -3.881 -6.029 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -1.378 -4.481 -6.012 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 0.001 -4.256 -5.377 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 2.470 7.416 -4.786 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 3.219 7.316 -5.377 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 2.000 6.554 -4.847 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -7.809 -9.568 -5.163 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -7.245 -10.271 -5.542 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -8.026 -8.999 -5.927 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -3.129 4.310 1.742 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -2.558 4.638 1.019 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -3.657 5.095 1.997 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -11.842 -1.652 2.472 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -12.674 -1.328 2.879 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -12.120 -1.970 1.592 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -4.032 -7.895 0.291 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -4.099 -8.476 -0.500 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -3.072 -7.904 0.512 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -0.906 -6.757 3.369 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -0.395 -7.435 3.860 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -1.604 -6.492 3.993 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 1.956 2.951 -3.299 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 2.807 3.344 -3.012 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 2.118 1.990 -3.277 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 4.558 -2.616 -4.847 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 4.010 -1.823 -5.042 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 5.317 -2.541 -5.465 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 2.682 0.196 -2.535 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 3.274 -0.394 -2.013 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 2.752 -0.147 -3.452 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -12.973 -4.255 -4.304 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -13.902 -3.934 -4.229 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -12.440 -3.430 -4.389 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 7.146 -5.106 0.000 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 7.063 -5.118 0.978 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 6.225 -5.227 -0.321 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 4.059 -7.011 -5.268 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 4.578 -7.191 -6.059 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 4.704 -7.130 -4.525 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 5.818 -7.149 -3.255 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 5.386 -6.646 -2.531 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 6.730 -7.275 -2.941 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 4.574 -13.448 2.555 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 5.119 -13.898 1.870 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 5.126 -13.500 3.367 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -10.154 -9.693 -3.831 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -10.232 -10.621 -3.504 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -9.279 -9.674 -4.291 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -14.494 -6.639 -2.292 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -13.962 -7.405 -2.589 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -13.845 -5.921 -2.191 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -8.137 3.531 -2.045 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -7.301 3.967 -2.240 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -8.142 3.451 -1.064 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -2.723 5.974 -2.627 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -2.357 5.582 -3.447 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -2.336 6.873 -2.605 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -2.643 2.517 -0.962 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -3.441 3.091 -1.046 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -1.900 3.102 -1.221 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -0.330 3.620 -1.991 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 0.489 3.298 -2.431 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -0.117 4.546 -1.748 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.089 10.271 -5.259 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 0.648 10.032 -4.488 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 0.468 11.094 -5.579 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -1.295 5.469 -4.969 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -1.429 6.372 -5.324 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -0.328 5.315 -5.070 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 1.386 4.942 -5.146 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.502 4.290 -4.424 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.875 4.547 -5.902 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -3.988 -7.793 -4.768 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -4.534 -8.232 -5.453 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -3.308 -8.460 -4.543 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -7.563 -14.499 -10.951 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -6.744 -14.750 -11.397 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -8.129 -14.167 -11.660 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -5.031 -9.121 -7.002 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.553 -9.943 -6.906 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -4.101 -9.437 -7.088 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -0.152 -10.320 -5.723 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 0.656 -9.796 -5.546 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 0.138 -11.258 -5.608 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 0.098 -10.817 3.057 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 0.772 -11.407 3.432 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 0.002 -10.109 3.723 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -0.476 -4.831 6.490 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -0.624 -4.085 7.113 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 0.457 -5.090 6.648 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -0.922 -2.960 8.434 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -1.247 -2.031 8.364 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.686 -3.452 8.786 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -1.648 -0.319 8.390 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -0.904 0.059 7.878 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -1.619 0.161 9.238 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -14.649 -8.144 6.149 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -15.345 -8.663 5.674 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -15.035 -7.991 7.036 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -14.836 -4.215 7.955 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -14.711 -3.284 8.169 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -15.412 -4.553 8.681 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -0.710 1.235 10.594 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -0.404 1.908 11.247 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 0.069 0.654 10.467 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -1.537 3.252 8.991 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -2.396 3.486 9.410 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -1.225 2.476 9.509 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -1.254 -6.038 11.659 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -1.941 -6.549 12.157 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -0.960 -5.367 12.287 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -6.682 -10.233 7.300 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -7.406 -9.584 7.177 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -7.082 -10.932 7.852 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 1.967 -5.317 7.714 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 1.498 -5.819 8.418 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 2.637 -5.958 7.371 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -10.349 -6.494 12.114 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -11.169 -6.216 11.641 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -9.623 -6.117 11.575 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -8.153 -5.574 10.619 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -7.925 -5.920 9.723 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -8.104 -4.616 10.520 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 7.547 -9.192 10.124 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 7.068 -9.081 10.977 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 7.756 -8.292 9.852 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -7.558 -8.624 13.913 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -7.696 -8.086 14.719 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -7.050 -8.038 13.318 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -11.071 -3.912 6.296 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -11.898 -4.425 6.213 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -11.361 -3.036 6.570 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 1.437 -0.294 9.821 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 1.343 0.167 8.967 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 1.723 -1.197 9.572 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -7.048 -5.755 5.562 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -6.302 -6.269 5.184 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -7.069 -6.018 6.503 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.120 -2.366 12.906 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.119 -1.537 12.412 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 3.243 -2.389 13.333 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 2.503 -1.249 6.795 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 3.246 -1.179 6.157 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 2.681 -2.067 7.281 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -7.192 -2.989 5.925 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -7.641 -2.923 6.770 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -7.097 -3.952 5.778 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -7.468 4.398 8.480 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -7.112 4.805 9.299 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -8.186 5.016 8.201 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 0.259 3.297 12.098 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 0.963 3.888 11.753 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -0.328 3.892 12.600 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -1.786 -1.907 1.186 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -1.479 -2.826 1.306 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -1.486 -1.451 1.990 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 3.246 -10.382 1.742 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 2.875 -10.703 2.582 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 3.872 -11.073 1.481 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -8.932 6.558 7.809 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -8.530 7.273 8.346 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -9.512 7.019 7.197 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -6.253 -7.085 11.966 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -7.044 -6.644 11.586 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -5.509 -6.608 11.577 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.185 -6.467 8.244 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.530 -7.354 8.009 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.204 -6.559 8.183 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -0.684 -3.009 4.221 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -0.395 -2.173 4.602 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.612 -3.646 4.956 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -1.074 -7.646 16.319 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -1.859 -7.115 16.067 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -0.427 -6.977 16.653 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -0.364 -10.433 7.119 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -0.605 -11.289 6.708 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 0.400 -10.658 7.692 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -8.071 -6.831 15.989 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -7.847 -5.898 16.024 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -9.007 -6.841 15.669 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -16.273 -7.369 8.295 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -16.457 -6.689 8.968 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -16.555 -6.951 7.455 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -10.406 -6.601 5.942 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -10.142 -5.670 6.072 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -11.348 -6.613 6.185 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 1.493 -2.902 13.753 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 1.362 -2.029 13.325 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 1.505 -3.536 13.008 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -4.512 -6.147 7.780 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -3.865 -5.769 8.410 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -4.028 -6.185 6.940 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -8.836 -8.504 7.236 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -9.246 -7.778 6.723 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -9.600 -8.999 7.595 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -4.958 -7.223 4.434 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -4.932 -8.097 4.885 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -4.125 -6.791 4.709 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -2.230 -5.409 9.161 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -1.449 -5.682 8.658 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -1.981 -5.572 10.095 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -8.274 -11.982 8.737 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -8.904 -11.817 9.470 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -8.847 -12.096 7.951 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -3.187 -7.240 13.090 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -3.757 -8.022 13.020 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -3.311 -6.933 14.011 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 1.803 -0.469 12.525 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 1.730 0.429 12.869 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 1.721 -0.360 11.551 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -2.591 -6.485 5.698 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -2.434 -7.281 6.256 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -1.869 -5.867 5.953 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -0.728 -0.453 18.959 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -0.867 -0.048 19.846 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -0.246 0.217 18.472 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 0.182 -8.767 4.940 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -0.126 -9.209 5.756 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 1.162 -8.832 4.992 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -2.572 -3.558 16.196 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -2.573 -2.686 15.789 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -2.024 -3.443 17.006 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 1.761 -3.028 9.162 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 0.803 -2.932 8.965 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 2.031 -3.818 8.642 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -7.286 1.954 7.285 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -8.213 1.750 7.129 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -7.309 2.810 7.772 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -5.312 5.480 7.186 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -6.101 5.021 7.554 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -4.755 5.656 7.964 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 2.168 5.031 11.016 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 3.090 4.734 10.941 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 2.245 5.996 11.207 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -10.554 -6.589 14.920 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -11.488 -6.484 15.181 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -10.567 -6.522 13.942 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.675 0.658 7.230 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 1.290 -0.064 6.948 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 1.213 1.474 7.152 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -0.373 -13.026 6.221 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 0.328 -12.833 6.889 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -0.429 -14.002 6.213 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -2.395 -8.632 7.446 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -1.658 -9.281 7.367 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -2.473 -8.478 8.396 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -2.926 -12.483 4.950 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -2.064 -12.693 5.349 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -3.181 -11.649 5.359 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 0.628 -6.510 9.756 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -0.048 -6.570 10.466 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 1.164 -7.341 9.861 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -8.154 3.539 0.695 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -7.472 3.869 1.322 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.982 3.664 1.164 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 2.200 2.977 7.190 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 3.165 3.140 7.285 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 1.796 3.586 7.836 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.872 -6.037 17.222 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 0.916 -5.080 17.007 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 1.809 -6.312 17.271 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.086 -9.608 11.985 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -5.578 -8.764 12.005 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -5.596 -10.164 11.374 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -0.640 1.027 21.248 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -0.989 1.731 21.799 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 0.102 0.653 21.777 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 4.347 -1.246 -0.865 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 5.012 -0.844 -0.269 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 3.862 -1.872 -0.285 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -4.805 -11.346 18.404 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -4.593 -10.443 18.699 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -4.685 -11.893 19.213 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -0.820 -3.083 18.269 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -0.002 -3.126 17.728 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -0.832 -2.155 18.612 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 1.271 -3.429 16.466 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 1.208 -3.201 15.511 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 2.234 -3.430 16.646 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -7.891 -12.010 17.424 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -8.798 -11.858 17.697 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -7.666 -12.887 17.816 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -14.255 -10.689 18.151 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -14.468 -10.145 18.945 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -15.123 -11.012 17.845 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -1.916 5.999 5.164 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -1.268 5.360 5.529 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -1.567 6.207 4.268 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -10.660 2.889 -2.764 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -9.706 3.043 -2.556 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -10.998 3.764 -2.971 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 5.196 8.269 12.246 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 5.589 8.312 13.126 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 5.742 8.883 11.709 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 4.539 -0.931 4.891 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 5.369 -0.405 4.979 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 4.154 -0.624 4.046 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 3.681 -0.058 2.368 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 4.562 -0.140 1.942 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.214 -0.870 2.092 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 3.230 -2.716 1.186 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 2.371 -2.989 0.795 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 3.625 -3.563 1.505 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 3.975 -3.969 16.626 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 3.848 -4.920 16.851 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 4.332 -3.990 15.718 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 3.621 -6.642 16.836 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 3.513 -7.148 16.022 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 4.147 -7.239 17.420 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -0.583 -4.370 1.889 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -0.551 -3.857 2.730 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -0.677 -5.298 2.186 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 3.548 -7.316 6.874 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 3.722 -8.008 7.531 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 3.402 -7.808 6.048 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 3.752 -9.669 12.012 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 3.652 -10.642 11.959 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 4.709 -9.532 12.141 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -13.256 -6.550 15.863 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -13.352 -7.529 15.768 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -13.476 -6.381 16.786 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 6.896 -5.147 2.783 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 6.625 -4.448 3.425 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 7.610 -5.614 3.232 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -9.862 -11.432 10.976 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -10.825 -11.603 10.952 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -9.788 -10.546 11.402 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -16.589 -5.039 9.890 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -17.415 -4.726 10.280 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -16.178 -5.593 10.602 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 4.302 -5.208 1.773 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 5.177 -5.266 2.199 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 4.083 -6.132 1.552 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -10.217 -8.782 4.219 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -11.091 -9.121 4.507 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -10.113 -7.946 4.712 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -0.216 4.105 6.211 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 0.584 3.568 6.083 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -0.079 4.524 7.084 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -1.977 6.692 11.548 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -1.478 7.416 11.943 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -1.835 5.941 12.160 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -1.769 4.694 13.474 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -1.750 4.886 14.421 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -2.484 4.049 13.375 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -7.426 8.456 9.158 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -6.754 8.536 8.441 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -7.449 9.331 9.560 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -4.007 3.910 9.956 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -4.841 3.856 10.440 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -3.888 4.869 9.792 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -6.975 -11.626 11.167 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -7.906 -11.560 11.446 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -7.032 -11.879 10.225 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -11.313 -9.836 7.644 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -11.754 -9.574 6.810 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -12.047 -10.137 8.216 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -8.686 -11.044 4.174 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -8.846 -11.406 5.061 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -9.124 -10.164 4.192 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.503 -9.541 5.837 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -3.841 -9.270 6.503 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.256 -9.891 6.373 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 2.759 -9.596 5.301 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 2.831 -10.442 4.817 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 2.969 -9.834 6.232 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -7.539 -14.453 18.490 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -7.006 -14.731 19.244 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -8.420 -14.849 18.658 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -6.421 4.610 2.504 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -5.991 4.644 3.373 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -5.989 5.325 2.001 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -4.621 -8.987 25.057 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -5.003 -9.418 25.861 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -5.139 -8.163 24.963 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 2.906 -10.874 31.894 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 3.161 -10.740 32.839 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 2.898 -9.987 31.523 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -8.512 -15.092 31.952 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -8.912 -15.982 32.027 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -9.147 -14.507 32.421 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -3.010 -6.642 21.406 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -3.389 -6.255 22.214 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -2.558 -5.894 20.970 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 1.397 0.066 22.757 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 1.502 -0.868 22.958 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 2.301 0.437 22.855 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.436 -13.733 33.298 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -11.245 -14.264 33.459 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -10.189 -13.399 34.183 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.989 0.994 22.998 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 4.679 0.922 22.331 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.331 1.639 23.626 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -3.729 -5.375 23.825 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -2.764 -5.568 23.898 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -3.780 -4.414 23.882 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -5.711 -10.255 27.190 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.229 -10.348 28.014 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -5.738 -11.144 26.791 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -8.331 -8.246 24.701 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -8.392 -8.552 25.632 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.509 -7.714 24.681 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -6.061 -6.612 24.723 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -5.234 -6.276 24.308 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.429 -5.841 25.169 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.235 -5.325 19.751 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -1.088 -4.493 19.243 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -0.412 -5.432 20.278 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -8.579 -8.785 27.479 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -8.517 -8.053 28.100 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -8.180 -9.543 27.965 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -4.571 -9.842 22.369 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -4.366 -9.629 23.301 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -5.518 -9.580 22.270 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -7.086 -8.982 22.105 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -7.669 -8.622 22.792 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -7.372 -8.544 21.288 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -11.540 -13.808 30.734 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -11.220 -13.324 29.930 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -10.993 -13.449 31.462 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.234 -6.124 15.663 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.116 -6.132 16.054 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -2.930 -5.187 15.776 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 4.755 -3.164 19.125 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 4.494 -3.432 18.217 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 5.240 -2.347 18.998 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -7.759 -12.327 31.566 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -7.932 -13.281 31.515 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -7.554 -12.174 32.509 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 2.625 -8.025 19.695 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 2.587 -8.638 20.467 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 2.342 -7.170 20.056 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 0.929 -5.987 21.346 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 1.321 -6.480 22.105 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 1.685 -5.464 20.990 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 1.976 -7.214 23.503 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 2.618 -7.920 23.703 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 1.465 -7.119 24.328 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 3.377 -5.116 20.493 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 4.159 -5.635 20.711 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 3.740 -4.303 20.076 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -7.635 -10.852 29.094 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -7.941 -11.597 28.538 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -7.665 -11.210 30.009 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 0.280 -7.328 25.642 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 0.484 -8.287 25.748 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 0.248 -6.994 26.547 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 0.715 -10.029 25.730 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -0.252 -10.097 25.580 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 0.971 -10.926 26.049 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.867 -10.276 26.956 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -10.415 -10.767 26.240 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -10.208 -9.613 27.240 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -4.503 -12.220 20.987 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -4.839 -12.865 21.612 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -4.480 -11.380 21.496 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -5.839 -12.590 25.681 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -4.859 -12.556 25.570 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -6.182 -12.352 24.811 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -1.946 -9.498 25.139 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -2.917 -9.332 25.150 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -1.567 -8.644 24.892 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -7.006 -8.326 19.199 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -7.418 -7.723 18.563 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -7.177 -9.207 18.834 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -4.278 -8.939 19.660 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.242 -9.137 20.621 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -5.162 -8.536 19.535 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 1.488 9.285 -3.122 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 1.909 8.649 -3.755 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 1.910 9.079 -2.267 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 0.552 6.324 -1.569 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 0.008 6.865 -2.183 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 1.325 6.886 -1.379 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 3.103 11.694 -0.787 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 2.853 11.991 -1.667 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 3.787 11.005 -0.951 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -1.008 8.095 -2.956 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -1.311 8.127 -3.887 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -0.257 8.723 -2.931 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 0.081 8.828 3.004 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -0.687 9.417 2.889 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -0.293 7.923 2.908 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -1.618 5.755 -0.016 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -2.193 5.821 -0.802 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -0.726 5.982 -0.357 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -0.839 6.284 2.615 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -0.128 5.642 2.409 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -1.401 6.276 1.813 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 4.887 8.305 1.952 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 3.976 8.646 1.812 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 5.443 9.114 1.980 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 3.711 5.516 -0.140 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 3.211 6.318 -0.399 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 4.602 5.856 0.088 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -4.547 6.607 2.075 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -4.345 7.564 1.958 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -4.679 6.507 3.039 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -0.232 12.156 4.922 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 0.469 11.466 5.021 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 0.202 12.973 5.190 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -6.234 6.125 10.178 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -6.798 6.907 10.008 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.327 6.474 10.138 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -1.774 11.021 2.972 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -1.181 11.504 3.596 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -2.027 11.691 2.324 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 2.600 12.162 1.822 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 2.480 13.115 1.898 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 2.779 12.019 0.859 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 8.717 13.355 -0.053 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 9.300 14.115 0.018 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 9.323 12.596 -0.181 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -2.198 10.208 5.668 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -1.607 10.932 5.938 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -2.177 10.240 4.694 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -4.773 9.544 4.876 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -5.325 9.179 5.589 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -3.967 9.849 5.331 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 2.694 8.157 -0.836 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 2.473 8.562 0.035 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 3.535 8.592 -1.092 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 2.344 9.336 1.604 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 2.362 10.310 1.686 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 1.537 9.068 2.101 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 4.067 10.761 3.723 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 3.544 11.348 3.139 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 4.963 10.766 3.323 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 4.797 8.200 4.696 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 4.888 7.941 3.757 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 4.516 9.132 4.656 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -5.513 8.255 7.232 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -4.537 8.281 7.289 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -5.712 7.324 7.015 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 1.881 6.689 7.102 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 1.395 6.110 7.726 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 1.287 7.434 6.958 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 2.671 7.695 11.295 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.551 8.406 10.660 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 3.511 7.918 11.750 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -4.586 5.504 4.587 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -3.635 5.702 4.719 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -4.954 5.497 5.497 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -3.594 6.538 9.360 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -3.197 7.085 8.645 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -2.987 6.669 10.129 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -2.753 7.898 7.092 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -2.456 7.207 6.463 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -2.457 8.740 6.679 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -3.957 9.257 2.311 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -4.460 9.386 3.146 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -3.219 9.878 2.384 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 6.839 -35.218 6.080 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 5.992 -35.350 5.594 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 7.007 -34.253 6.000 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 5.735 -33.386 13.837 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 4.834 -33.516 13.469 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 5.576 -33.154 14.773 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 12.250 -30.666 9.244 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 13.127 -30.945 9.518 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 11.900 -31.434 8.741 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 11.291 -32.797 7.751 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 10.376 -32.439 7.754 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 11.166 -33.764 7.623 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 10.257 -36.010 10.014 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 9.435 -36.201 9.522 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 10.926 -35.903 9.320 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 11.920 -32.305 5.102 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 12.817 -31.967 5.069 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 11.742 -32.421 6.059 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 9.211 -35.924 4.811 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 9.064 -36.680 4.235 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 8.332 -35.747 5.206 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 3.190 -30.809 20.709 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 3.076 -31.225 19.829 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 4.129 -30.561 20.734 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 12.278 -29.652 19.742 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 11.685 -30.274 20.210 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 11.763 -29.376 18.960 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 3.531 -34.040 22.170 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 2.918 -33.511 21.625 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 3.096 -34.916 22.229 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 9.215 -34.538 12.026 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 9.603 -35.100 11.310 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 9.982 -34.154 12.462 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 6.098 -38.279 13.573 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 6.531 -37.428 13.352 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 6.773 -38.774 14.042 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 5.148 -31.176 10.251 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 5.976 -30.787 9.905 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 5.453 -31.872 10.858 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 7.270 -32.595 11.639 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 7.959 -33.291 11.643 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 6.796 -32.726 12.485 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 10.468 -35.364 7.225 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 9.631 -35.664 7.623 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 10.350 -35.538 6.268 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 9.547 -32.552 3.801 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 10.393 -32.355 4.274 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 9.642 -33.475 3.528 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 13.165 -29.697 27.707 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 13.728 -29.697 26.899 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 12.247 -29.742 27.359 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 10.889 -28.107 24.144 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 10.885 -28.245 25.104 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 10.432 -28.901 23.788 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 9.688 -30.409 23.387 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 10.063 -30.663 22.521 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 8.728 -30.582 23.288 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 10.372 -31.339 20.829 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 9.542 -31.295 20.303 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 10.556 -32.281 20.901 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 7.046 -30.995 22.792 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 6.477 -30.490 22.188 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 6.817 -31.934 22.605 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 14.962 -29.405 25.700 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 14.835 -28.787 24.956 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 15.751 -29.068 26.157 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 3.263 -30.104 25.598 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 2.946 -29.594 26.363 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 4.233 -30.017 25.638 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.069 -30.783 25.418 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.539 -30.694 24.565 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 5.528 -31.595 25.305 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 11.723 -26.348 36.133 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 11.820 -26.412 35.159 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 11.911 -27.240 36.450 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 16.351 -26.350 36.141 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 15.558 -25.808 36.313 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 16.863 -26.285 36.949 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 15.649 -30.002 28.920 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 14.672 -30.055 28.887 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 15.901 -30.599 29.657 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.915 -29.915 28.910 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 8.757 -30.849 29.081 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 8.889 -29.501 29.804 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 6.924 -28.821 27.230 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 7.621 -29.172 27.815 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 6.706 -29.571 26.636 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 10.601 -29.582 26.676 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 10.104 -30.055 25.993 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 9.995 -29.567 27.449 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 6.282 -33.590 22.171 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.527 -34.352 22.704 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 5.314 -33.688 22.043 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 8.159 -31.458 19.166 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 7.468 -32.060 18.866 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 8.800 -31.436 18.417 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 8.657 -19.910 -0.128 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 7.834 -19.373 -0.106 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.343 -20.833 -0.018 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 5.374 -18.946 -3.679 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 4.787 -19.335 -4.338 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 5.272 -19.526 -2.890 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 7.764 -17.568 -3.188 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 8.485 -18.236 -3.199 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 6.982 -18.054 -3.522 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 9.667 -19.458 -2.634 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 9.368 -19.609 -1.711 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 10.474 -19.970 -2.708 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 7.913 -16.097 -0.934 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 8.863 -16.098 -0.771 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 7.826 -16.475 -1.846 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 7.492 -22.382 0.091 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 6.817 -22.209 0.793 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.968 -22.617 -0.687 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 6.596 -18.223 0.266 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 6.780 -17.441 -0.288 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 6.910 -17.956 1.162 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 1.943 -26.635 1.169 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 2.800 -26.630 1.640 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 1.280 -26.488 1.879 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 6.696 -29.459 0.997 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 5.811 -29.697 1.341 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 7.308 -29.736 1.712 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 3.123 -30.129 -0.754 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 2.244 -29.748 -0.608 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 3.730 -29.379 -0.647 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 4.714 -27.883 -0.209 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 4.599 -27.445 0.657 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 5.560 -28.362 -0.120 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 6.080 -14.940 0.763 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 6.789 -15.163 0.119 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 5.263 -15.307 0.352 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 8.297 -30.145 3.145 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.020 -29.499 2.984 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 8.768 -30.993 3.310 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.074 -15.843 10.515 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 8.795 -15.205 10.347 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 8.097 -16.434 9.751 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 7.827 -26.005 7.528 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 7.617 -25.836 6.582 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 8.795 -25.883 7.583 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 5.031 -24.688 12.402 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 5.604 -25.393 12.087 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 5.589 -24.192 13.044 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 5.728 -29.382 17.608 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 5.718 -29.535 16.660 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 6.237 -28.548 17.714 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 7.843 -21.596 15.650 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 7.315 -21.050 16.262 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 8.508 -20.978 15.295 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 7.075 -23.561 8.560 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 6.639 -23.233 7.737 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 7.277 -24.495 8.363 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 8.761 -17.607 13.477 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 9.479 -16.984 13.242 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 9.207 -18.299 14.011 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 8.200 -18.044 6.365 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 7.809 -17.401 5.744 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 8.410 -18.822 5.805 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.782 -30.702 9.722 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.740 -31.439 10.373 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 8.167 -31.115 8.915 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 7.864 -21.104 9.348 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 7.521 -22.010 9.146 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 8.616 -20.993 8.726 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.193 -13.998 10.521 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 9.661 -13.168 10.619 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 10.878 -13.763 9.888 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 6.773 -18.554 8.577 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 7.001 -19.456 8.877 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 7.360 -18.406 7.799 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 6.423 -23.550 14.373 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 6.996 -22.845 14.748 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 6.015 -23.967 15.161 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.758 -20.819 7.422 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 10.501 -20.209 7.448 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 9.332 -20.641 6.551 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 5.923 -11.919 11.072 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 5.084 -12.347 11.349 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 5.710 -11.529 10.203 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 5.371 -18.932 15.245 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 5.866 -19.388 15.948 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 4.605 -18.533 15.714 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 8.755 -28.298 10.395 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 8.224 -27.988 11.134 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 8.374 -29.182 10.178 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 10.804 -28.415 8.571 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 10.117 -28.360 9.277 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 11.384 -29.159 8.860 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 6.077 -22.894 6.141 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 6.745 -22.759 5.443 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 5.415 -23.488 5.726 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 12.405 -25.632 14.376 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 13.052 -25.939 13.735 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 11.725 -25.202 13.845 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 9.040 -28.617 -0.192 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 8.134 -28.861 0.096 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 9.052 -28.821 -1.131 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 10.519 -25.689 7.954 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 10.585 -25.432 8.879 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 10.771 -26.638 7.951 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 8.200 -22.961 4.315 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 8.891 -23.167 4.994 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 8.661 -23.097 3.454 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 9.425 -23.264 1.903 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 8.743 -23.069 1.227 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 10.256 -23.172 1.433 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 6.523 -20.257 17.655 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 7.123 -20.784 18.225 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 5.668 -20.317 18.095 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 6.808 -20.910 11.811 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 6.674 -21.834 12.051 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 7.216 -20.951 10.914 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 15.011 -20.258 17.485 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 14.602 -19.388 17.415 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 15.892 -20.082 17.831 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 5.869 -24.538 2.452 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 5.458 -24.596 3.346 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 5.958 -23.572 2.296 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 3.394 -17.640 16.647 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 3.730 -16.820 17.019 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 2.453 -17.663 16.929 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.771 -20.274 4.895 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.397 -21.138 4.628 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.995 -19.836 4.039 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.892 -23.442 6.345 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 9.903 -22.671 6.942 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 10.223 -24.178 6.894 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 9.989 -29.568 6.221 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.396 -29.170 7.020 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 10.008 -28.843 5.559 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 9.131 -18.980 2.517 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 9.186 -19.301 1.598 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.591 -18.167 2.457 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 7.239 -25.559 4.919 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.260 -25.455 4.968 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 7.546 -24.721 4.519 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 5.730 -13.855 7.492 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 5.011 -13.458 8.042 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 5.616 -14.819 7.613 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 5.416 -12.692 21.389 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 5.716 -13.584 21.655 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 4.463 -12.699 21.560 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.358 -22.101 18.755 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 9.227 -21.849 19.139 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.554 -22.271 17.817 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 13.257 -22.188 16.666 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 13.740 -22.986 16.437 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 13.954 -21.555 16.946 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.708 -24.284 20.386 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.473 -25.058 20.947 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.353 -24.646 19.741 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 12.214 -26.695 16.920 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 12.319 -26.268 16.042 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 12.802 -26.184 17.507 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 10.664 -28.776 17.679 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 11.266 -28.067 17.336 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 9.845 -28.309 17.883 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 13.765 -25.499 18.979 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 14.523 -25.005 19.319 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 13.767 -26.328 19.502 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 10.131 -31.440 17.253 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 10.869 -31.820 16.768 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 10.369 -30.491 17.350 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 13.591 -27.588 20.809 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 13.177 -28.407 20.431 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.850 -27.145 21.281 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 7.379 -16.821 2.413 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 7.129 -16.687 3.353 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 7.043 -16.022 1.961 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 9.576 -19.351 15.427 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 9.258 -18.748 16.106 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 10.211 -19.937 15.906 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 10.527 -15.619 12.755 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 11.483 -15.719 12.799 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.380 -15.048 11.969 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 6.952 -12.001 13.611 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 7.292 -12.925 13.554 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 6.545 -11.848 12.731 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.666 -11.758 10.573 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 8.547 -10.803 10.418 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 7.777 -12.065 10.837 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 7.867 -14.461 12.925 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.711 -14.842 13.217 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.694 -14.898 12.069 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.805 -31.703 7.392 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.163 -32.087 6.757 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.224 -30.964 6.892 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 5.148 -16.635 7.317 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 5.569 -17.357 7.836 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 4.331 -17.034 6.968 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 7.242 -32.607 5.337 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 6.456 -32.359 4.799 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 7.992 -32.555 4.707 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 10.186 -28.280 2.227 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.789 -28.289 1.323 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 11.135 -28.255 2.066 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 5.970 -27.623 21.836 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.028 -28.418 21.277 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 6.897 -27.322 21.925 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 15.553 -19.899 26.638 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 16.004 -19.139 27.020 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 15.314 -19.606 25.726 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.318 -22.872 29.758 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 13.503 -21.977 29.434 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.664 -22.871 30.678 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.574 -24.412 29.171 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.167 -23.674 29.424 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 8.197 -24.716 30.021 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.556 -19.660 26.795 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 11.435 -20.051 26.963 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.097 -19.721 27.661 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 13.072 -20.789 27.501 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 13.085 -21.590 26.934 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 13.925 -20.349 27.302 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 16.854 -24.228 27.704 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 16.587 -24.842 26.977 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 17.245 -24.819 28.382 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 15.961 -26.165 26.066 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 16.395 -26.921 26.525 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 15.535 -26.570 25.292 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 10.430 -24.233 32.071 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.517 -24.576 32.076 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 10.951 -24.926 32.507 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 12.255 -19.628 29.854 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.278 -19.603 29.806 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.526 -19.968 28.979 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 12.810 -27.366 29.073 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 13.031 -28.193 28.583 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 13.565 -26.763 28.887 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 15.349 -21.775 23.189 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.282 -20.801 23.214 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 15.899 -21.995 23.972 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.553 -22.574 29.951 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 11.491 -22.655 29.682 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.512 -23.058 30.810 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 7.167 -19.577 30.682 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 7.624 -19.079 31.381 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 6.795 -18.879 30.099 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.974 -17.090 31.802 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.552 -16.318 31.785 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 7.512 -17.062 30.937 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 5.943 -16.790 26.695 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 6.502 -16.633 25.918 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 5.327 -16.035 26.703 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 16.920 -26.248 22.422 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 16.823 -26.808 21.611 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 17.852 -26.327 22.653 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 12.520 -22.244 22.095 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 13.487 -22.284 22.204 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 12.306 -23.040 21.564 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 17.019 -28.319 27.329 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 17.777 -28.883 27.047 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 16.562 -28.858 28.016 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.849 -25.304 31.784 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 6.925 -25.201 32.055 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 8.205 -25.980 32.397 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 11.599 -26.326 22.210 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 12.039 -25.760 22.882 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.142 -27.017 22.747 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 14.637 -22.658 32.191 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 14.473 -21.686 32.220 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 15.465 -22.748 31.664 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 18.684 -30.316 26.537 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 19.458 -30.742 26.156 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 18.080 -31.058 26.749 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 16.432 -22.328 25.689 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 16.305 -21.480 26.167 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 16.792 -22.936 26.369 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 14.249 -24.886 33.689 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 14.371 -24.033 33.203 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.463 -24.667 34.615 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 14.689 -19.186 24.156 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 13.827 -19.663 24.144 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 14.431 -18.238 24.133 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 9.547 -20.096 29.334 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.782 -21.026 29.546 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.670 -19.970 29.753 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 3.433 -22.665 31.714 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 3.921 -21.818 31.832 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 3.923 -23.305 32.265 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 10.494 -17.907 24.728 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 9.594 -17.553 24.687 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 10.489 -18.484 25.532 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 13.156 -16.930 24.391 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 13.052 -15.987 24.541 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 12.255 -17.293 24.512 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.299 -26.971 33.499 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.253 -26.757 33.393 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.300 -27.865 33.913 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 6.198 -17.830 33.780 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 6.986 -17.605 33.245 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 5.450 -17.721 33.157 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 13.708 -22.603 25.573 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 13.527 -22.187 24.716 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 14.682 -22.689 25.596 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 17.204 -26.007 29.826 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 17.419 -26.871 29.451 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 16.655 -26.218 30.615 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 15.052 -24.236 22.082 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 15.836 -24.813 22.189 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 15.362 -23.349 22.370 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 13.221 -25.075 23.940 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 13.641 -25.932 24.133 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 13.828 -24.653 23.296 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 16.636 -23.284 30.424 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 17.002 -24.178 30.538 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 16.702 -23.122 29.473 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 14.830 -27.391 23.769 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 15.567 -26.939 23.298 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 14.332 -27.832 23.059 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 7.669 -15.983 24.072 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.453 -15.516 23.773 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 6.999 -15.790 23.385 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 4.126 -14.582 26.691 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 3.812 -14.356 25.796 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 3.359 -15.043 27.105 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 10.974 -20.838 17.167 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 11.745 -21.343 16.820 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.959 -21.055 18.117 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.245 -20.302 24.056 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.507 -19.668 24.052 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 12.061 -20.895 23.299 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 11.968 -26.313 33.373 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 12.718 -25.677 33.480 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.347 -27.024 32.796 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 10.885 -21.739 19.802 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.131 -22.691 19.842 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 11.395 -21.337 20.523 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 14.058 -24.804 36.568 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 13.211 -25.289 36.490 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 13.846 -24.046 37.124 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 14.313 -25.172 28.573 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 15.196 -24.861 28.306 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 13.926 -24.406 29.054 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 13.908 -20.037 31.970 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 13.729 -19.321 32.584 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.316 -19.850 31.204 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 15.817 -26.611 32.169 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 16.356 -27.033 32.852 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 15.270 -25.959 32.665 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 5.981 -15.400 21.904 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 5.018 -15.623 21.908 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 6.342 -15.940 21.193 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 4.528 -11.522 25.784 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 4.112 -11.938 26.555 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 5.476 -11.627 25.941 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 5.033 -14.981 29.406 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 4.799 -14.633 28.527 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 4.844 -14.236 30.021 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 6.266 -22.542 26.246 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 5.772 -22.043 25.563 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 6.487 -21.882 26.907 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 6.827 -23.789 36.895 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.612 -24.212 36.479 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 6.727 -24.254 37.733 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 9.392 -29.498 34.545 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.957 -30.306 34.552 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 8.860 -29.578 35.345 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 5.433 -15.770 35.486 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 4.887 -16.222 36.157 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 5.818 -16.500 34.960 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 16.687 -32.035 27.293 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 16.180 -31.281 27.658 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 16.040 -32.525 26.772 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 17.077 -32.058 30.112 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 17.828 -32.488 30.528 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 17.176 -32.262 29.164 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 1.369 -12.640 26.112 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 0.505 -12.949 25.784 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 2.012 -13.011 25.476 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 16.265 -27.844 20.370 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 15.295 -27.774 20.514 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 16.352 -28.483 19.655 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 3.379 -16.006 21.593 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 2.898 -16.228 22.421 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 2.696 -16.074 20.905 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.369 -1.075 -4.029 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.176 -1.103 -3.476 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 7.662 -1.422 -3.442 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 6.212 -2.148 -2.686 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 5.666 -2.464 -3.439 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 5.552 -1.830 -2.034 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 6.983 -2.170 -6.188 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 7.610 -1.876 -5.494 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 7.538 -2.632 -6.827 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 6.574 0.573 -5.414 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 7.315 0.277 -4.853 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 6.459 -0.151 -6.050 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 10.366 -1.382 -2.054 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 11.227 -1.813 -2.075 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 9.752 -2.083 -1.719 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 8.436 -3.112 -1.360 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 7.626 -2.824 -1.830 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 8.128 -3.843 -0.787 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 4.480 2.205 -4.911 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 5.312 1.700 -5.087 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 4.653 2.663 -4.073 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 13.072 4.876 2.263 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 13.550 4.825 1.425 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 13.767 4.967 2.929 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 6.372 2.549 1.314 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 6.804 1.719 1.592 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.109 3.094 0.980 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 6.079 -0.845 1.247 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 6.319 -1.770 1.392 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 6.886 -0.345 1.511 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 4.174 -7.859 0.754 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 3.764 -8.606 1.234 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 4.953 -8.264 0.306 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.590 5.410 -1.064 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.932 6.151 -0.553 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 8.726 4.632 -0.479 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 6.782 4.993 -3.005 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 7.308 4.909 -3.808 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 7.456 5.085 -2.285 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 6.982 0.228 4.907 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 7.556 -0.497 5.179 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 7.602 0.963 4.716 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 4.961 -4.616 14.115 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 4.727 -3.816 13.582 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 5.920 -4.579 14.185 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 5.992 -3.347 4.662 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 5.513 -2.493 4.660 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 5.541 -3.867 5.335 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 2.926 -6.400 13.434 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 2.568 -5.867 12.700 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 3.629 -5.833 13.815 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 9.255 3.594 6.804 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 8.509 3.720 7.431 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.043 3.534 7.382 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 8.253 0.574 1.940 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 8.657 0.889 2.770 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 8.985 0.589 1.294 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 11.529 3.717 8.444 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.452 4.524 8.967 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 11.781 3.027 9.103 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 6.370 -8.639 12.566 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.084 -9.040 13.117 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 6.070 -7.884 13.083 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 10.669 3.531 2.763 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 11.587 3.737 2.497 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 10.461 4.214 3.437 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 9.021 2.004 4.402 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 9.651 2.477 3.823 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 9.090 2.471 5.263 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.440 5.248 4.869 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 11.324 4.925 5.156 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 9.833 4.911 5.558 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 8.994 3.284 0.593 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 9.573 3.404 1.378 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 9.362 2.492 0.144 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 5.898 -10.704 8.522 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 6.342 -11.523 8.261 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 6.594 -10.183 8.976 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.511 0.817 -0.579 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.993 0.126 -1.083 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 8.638 0.837 -0.986 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 4.861 -8.587 18.287 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 5.272 -9.395 18.660 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 4.090 -8.418 18.872 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 12.542 3.833 5.883 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 12.244 3.813 6.818 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.094 3.050 5.796 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 0.641 4.864 8.732 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 -0.160 4.359 9.001 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 1.146 4.978 9.572 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 5.582 -10.395 15.406 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 6.042 -11.018 14.805 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 6.183 -10.302 16.156 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 8.437 -9.737 13.961 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 9.363 -9.932 14.128 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 8.011 -10.621 13.902 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 1.761 -4.631 11.495 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 1.967 -3.893 10.887 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 1.421 -5.333 10.903 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 3.298 -10.101 7.947 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 2.790 -10.947 8.050 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 4.219 -10.347 8.205 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 2.238 -8.609 10.025 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 2.552 -9.180 9.295 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 2.728 -8.939 10.813 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 5.476 5.732 11.010 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 5.213 6.502 11.541 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 6.282 6.026 10.548 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 4.728 4.088 7.706 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 5.617 3.939 8.076 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 4.696 5.053 7.543 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 3.313 -12.464 11.467 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 3.416 -12.552 10.481 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 2.485 -12.927 11.655 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 6.154 -13.496 4.847 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 6.963 -12.970 4.858 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.883 -13.538 5.797 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 5.952 -10.841 19.451 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 5.708 -11.519 20.119 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 6.849 -10.591 19.688 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 -1.016 -5.761 23.734 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 -0.400 -5.670 22.987 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 -0.499 -6.236 24.415 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 3.064 -9.630 24.336 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 3.735 -10.166 24.807 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 2.242 -9.768 24.855 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 3.202 -13.394 24.211 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 3.069 -13.225 23.262 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 3.795 -12.673 24.504 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 2.572 -9.843 21.660 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 2.773 -9.618 22.591 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 2.690 -10.805 21.619 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 10.037 10.957 -0.464 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 10.585 10.751 -1.228 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 10.401 10.384 0.255 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 4.966 9.754 -1.277 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 5.343 8.877 -1.521 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 5.746 10.274 -0.982 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 4.359 3.917 -2.323 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 5.246 4.259 -2.583 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 4.027 4.584 -1.682 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 5.826 7.205 -1.576 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 6.087 6.571 -2.268 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 6.196 6.825 -0.753 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 6.168 6.174 0.944 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 6.279 5.597 1.721 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 5.798 7.008 1.318 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 1.593 10.168 4.894 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 2.507 10.266 4.560 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 1.172 9.544 4.267 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 6.429 10.558 2.298 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 6.616 10.775 1.356 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 7.259 10.748 2.751 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 7.655 6.781 9.620 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 8.316 7.285 10.146 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 7.257 7.453 9.032 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 7.374 4.169 8.811 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 7.546 5.121 8.984 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 7.092 3.822 9.668 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 11.219 6.943 2.729 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 10.772 6.603 3.527 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 11.840 6.233 2.486 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 7.201 11.074 -0.278 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.082 10.699 -0.467 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 7.354 12.044 -0.280 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 6.612 9.948 10.567 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 6.448 9.514 9.696 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 6.364 10.869 10.422 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 9.039 8.695 10.996 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 8.234 9.249 10.964 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 9.731 9.297 11.284 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 6.262 8.688 8.147 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 5.603 7.985 7.937 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 6.421 9.119 7.297 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 4.586 6.814 7.022 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 4.716 7.241 6.144 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 3.605 6.766 7.119 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 12.232 2.002 10.438 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 13.104 1.684 10.696 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 11.635 1.611 11.084 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 11.215 9.335 1.371 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 11.062 8.451 1.776 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 12.007 9.659 1.812 1.00 0.00 WAT1 END