REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1151.27, 64.4701, 77.7296, 38.7938, 401.65, -387.784, -1348.07, 1.61619, 0.323719 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.82267E-03,0.451635,1.24226,42.6719,3.647935E-03,0.234048 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 21, 6 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -10.445 -4.548 -2.251 1.00 34.32 ATOM 2 CB MET 1 -8.551 -3.758 -2.875 1.00 73.42 ATOM 3 HB1 MET 1 -7.791 -4.003 -3.602 1.00 37.07 ATOM 4 HB2 MET 1 -8.141 -3.883 -1.882 1.00 0.04 ATOM 5 CG MET 1 -8.929 -2.295 -3.053 1.00 62.24 ATOM 6 HG1 MET 1 -9.153 -2.115 -4.094 1.00 37.07 ATOM 7 HG2 MET 1 -8.094 -1.678 -2.752 1.00 23.34 ATOM 8 SD MET 1 -10.366 -1.844 -2.064 1.00 61.42 ATOM 9 CE MET 1 -10.627 -0.151 -2.590 1.00 62.54 ATOM 10 HE1 MET 1 -9.756 0.440 -2.346 1.00 1.43 ATOM 11 HE2 MET 1 -11.490 0.253 -2.083 1.00 23.35 ATOM 12 HE3 MET 1 -10.791 -0.126 -3.656 1.00 2.20 ATOM 13 C MET 1 -10.433 -4.458 -4.388 1.00 33.22 ATOM 14 O MET 1 -10.009 -4.958 -5.434 1.00 25.14 ATOM 15 N MET 1 -9.270 -6.136 -2.936 1.00 31.50 ATOM 16 HT1 MET 1 -8.812 -6.292 -2.015 1.00 37.07 ATOM 17 HT2 MET 1 -8.586 -6.350 -3.689 1.00 37.07 ATOM 18 HT3 MET 1 -10.077 -6.789 -3.024 1.00 37.07 ATOM 19 CA MET 1 -9.734 -4.724 -3.046 1.00 3.14 ATOM 20 N GLY 2 -11.501 -3.664 -4.348 1.00 54.51 ATOM 21 HN GLY 2 -11.806 -3.320 -3.479 1.00 37.07 ATOM 22 CA GLY 2 -12.233 -3.311 -5.558 1.00 53.03 ATOM 23 HA1 GLY 2 -11.560 -3.349 -6.403 1.00 37.07 ATOM 24 HA2 GLY 2 -12.601 -2.301 -5.454 1.00 64.52 ATOM 25 C GLY 2 -13.413 -4.235 -5.826 1.00 21.14 ATOM 26 O GLY 2 -14.075 -4.696 -4.895 1.00 21.21 ATOM 27 N HIS 3 -13.689 -4.500 -7.099 1.00 11.50 ATOM 28 HN HIS 3 -13.157 -4.071 -7.801 1.00 37.07 ATOM 29 CA HIS 3 -14.774 -5.410 -7.480 1.00 64.11 ATOM 30 HA HIS 3 -15.099 -5.929 -6.588 1.00 71.44 ATOM 31 CB HIS 3 -15.961 -4.621 -8.047 1.00 43.54 ATOM 32 HB1 HIS 3 -16.734 -5.313 -8.351 1.00 37.07 ATOM 33 HB2 HIS 3 -15.633 -4.058 -8.907 1.00 20.21 ATOM 34 CG HIS 3 -16.561 -3.658 -7.069 1.00 41.05 ATOM 35 ND1 HIS 3 -16.465 -2.292 -7.200 1.00 10.20 ATOM 36 HD1 HIS 3 -16.007 -1.817 -7.926 1.00 21.23 ATOM 37 CD2 HIS 3 -17.274 -3.872 -5.937 1.00 74.20 ATOM 38 HD2 HIS 3 -17.546 -4.834 -5.523 1.00 12.32 ATOM 39 CE1 HIS 3 -17.086 -1.708 -6.197 1.00 22.40 ATOM 40 HE1 HIS 3 -17.171 -0.642 -6.041 1.00 13.10 ATOM 41 NE2 HIS 3 -17.586 -2.641 -5.417 1.00 14.42 ATOM 42 HE2 HIS 3 -17.953 -2.481 -4.521 1.00 37.07 ATOM 43 C HIS 3 -14.294 -6.458 -8.497 1.00 43.34 ATOM 44 O HIS 3 -14.016 -7.601 -8.137 1.00 32.53 ATOM 45 N HIS 4 -14.170 -6.061 -9.764 1.00 54.30 ATOM 46 HN HIS 4 -14.335 -5.120 -9.990 1.00 37.07 ATOM 47 CA HIS 4 -13.771 -6.994 -10.823 1.00 2.14 ATOM 48 HA HIS 4 -14.006 -7.993 -10.478 1.00 22.04 ATOM 49 CB HIS 4 -14.575 -6.728 -12.107 1.00 40.14 ATOM 50 HB1 HIS 4 -14.155 -7.309 -12.916 1.00 37.07 ATOM 51 HB2 HIS 4 -14.513 -5.678 -12.355 1.00 70.22 ATOM 52 CG HIS 4 -16.026 -7.086 -11.987 1.00 30.13 ATOM 53 ND1 HIS 4 -16.964 -6.257 -11.409 1.00 11.31 ATOM 54 HD1 HIS 4 -16.791 -5.369 -11.035 1.00 43.53 ATOM 55 CD2 HIS 4 -16.702 -8.195 -12.375 1.00 24.12 ATOM 56 HD2 HIS 4 -16.284 -9.063 -12.866 1.00 53.01 ATOM 57 CE1 HIS 4 -18.145 -6.837 -11.444 1.00 71.42 ATOM 58 HE1 HIS 4 -19.064 -6.421 -11.061 1.00 5.34 ATOM 59 NE2 HIS 4 -18.014 -8.009 -12.025 1.00 33.21 ATOM 60 HE2 HIS 4 -18.740 -8.657 -12.156 1.00 37.07 ATOM 61 C HIS 4 -12.261 -6.930 -11.104 1.00 21.40 ATOM 62 O HIS 4 -11.808 -6.224 -12.008 1.00 72.21 ATOM 63 N HIS 5 -11.487 -7.651 -10.296 1.00 34.32 ATOM 64 HN HIS 5 -11.899 -8.098 -9.526 1.00 37.07 ATOM 65 CA HIS 5 -10.043 -7.810 -10.520 1.00 42.20 ATOM 66 HA HIS 5 -9.807 -7.382 -11.487 1.00 61.34 ATOM 67 CB HIS 5 -9.238 -7.078 -9.439 1.00 31.31 ATOM 68 HB1 HIS 5 -8.184 -7.251 -9.604 1.00 37.07 ATOM 69 HB2 HIS 5 -9.513 -7.466 -8.469 1.00 42.20 ATOM 70 CG HIS 5 -9.468 -5.597 -9.425 1.00 32.10 ATOM 71 ND1 HIS 5 -8.789 -4.722 -10.245 1.00 14.31 ATOM 72 HD1 HIS 5 -8.105 -4.968 -10.904 1.00 13.34 ATOM 73 CD2 HIS 5 -10.312 -4.836 -8.690 1.00 1.23 ATOM 74 HD2 HIS 5 -11.006 -5.188 -7.939 1.00 5.33 ATOM 75 CE1 HIS 5 -9.201 -3.493 -10.016 1.00 4.12 ATOM 76 HE1 HIS 5 -8.844 -2.604 -10.515 1.00 74.22 ATOM 77 NE2 HIS 5 -10.124 -3.533 -9.079 1.00 60.24 ATOM 78 HE2 HIS 5 -10.700 -2.779 -8.828 1.00 37.07 ATOM 79 C HIS 5 -9.685 -9.303 -10.545 1.00 23.23 ATOM 80 O HIS 5 -9.598 -9.950 -9.501 1.00 62.03 ATOM 81 N HIS 6 -9.472 -9.832 -11.748 1.00 61.20 ATOM 82 HN HIS 6 -9.388 -9.228 -12.518 1.00 37.07 ATOM 83 CA HIS 6 -9.375 -11.280 -11.974 1.00 71.04 ATOM 84 HA HIS 6 -10.322 -11.706 -11.676 1.00 64.32 ATOM 85 CB HIS 6 -9.180 -11.554 -13.471 1.00 54.13 ATOM 86 HB1 HIS 6 -8.170 -11.285 -13.752 1.00 37.07 ATOM 87 HB2 HIS 6 -9.875 -10.949 -14.033 1.00 43.32 ATOM 88 CG HIS 6 -9.404 -12.986 -13.860 1.00 31.20 ATOM 89 ND1 HIS 6 -10.444 -13.744 -13.366 1.00 51.04 ATOM 90 HD1 HIS 6 -11.121 -13.441 -12.722 1.00 34.51 ATOM 91 CD2 HIS 6 -8.721 -13.799 -14.701 1.00 52.42 ATOM 92 HD2 HIS 6 -7.838 -13.541 -15.270 1.00 43.05 ATOM 93 CE1 HIS 6 -10.393 -14.953 -13.883 1.00 34.15 ATOM 94 HE1 HIS 6 -11.083 -15.756 -13.676 1.00 1.05 ATOM 95 NE2 HIS 6 -9.361 -15.013 -14.695 1.00 63.12 ATOM 96 HE2 HIS 6 -9.025 -15.836 -15.116 1.00 37.07 ATOM 97 C HIS 6 -8.265 -11.963 -11.147 1.00 11.11 ATOM 98 O HIS 6 -8.321 -13.171 -10.910 1.00 53.44 ATOM 99 N HIS 7 -7.262 -11.200 -10.712 1.00 40.24 ATOM 100 HN HIS 7 -7.251 -10.247 -10.944 1.00 37.07 ATOM 101 CA HIS 7 -6.177 -11.755 -9.885 1.00 61.32 ATOM 102 HA HIS 7 -6.221 -12.833 -9.967 1.00 41.52 ATOM 103 CB HIS 7 -4.809 -11.288 -10.400 1.00 1.11 ATOM 104 HB1 HIS 7 -4.047 -11.561 -9.683 1.00 37.07 ATOM 105 HB2 HIS 7 -4.820 -10.213 -10.513 1.00 41.35 ATOM 106 CG HIS 7 -4.436 -11.889 -11.721 1.00 73.03 ATOM 107 ND1 HIS 7 -3.806 -13.108 -11.843 1.00 24.14 ATOM 108 HD1 HIS 7 -3.549 -13.699 -11.099 1.00 21.51 ATOM 109 CD2 HIS 7 -4.613 -11.437 -12.983 1.00 22.21 ATOM 110 HD2 HIS 7 -5.077 -10.504 -13.270 1.00 21.44 ATOM 111 CE1 HIS 7 -3.610 -13.378 -13.117 1.00 34.11 ATOM 112 HE1 HIS 7 -3.132 -14.263 -13.510 1.00 30.20 ATOM 113 NE2 HIS 7 -4.093 -12.383 -13.831 1.00 70.22 ATOM 114 HE2 HIS 7 -4.260 -12.422 -14.799 1.00 37.07 ATOM 115 C HIS 7 -6.338 -11.383 -8.401 1.00 23.41 ATOM 116 O HIS 7 -6.065 -10.251 -7.998 1.00 11.44 ATOM 117 N HIS 8 -6.785 -12.346 -7.598 1.00 41.10 ATOM 118 HN HIS 8 -7.018 -13.215 -7.987 1.00 37.07 ATOM 119 CA HIS 8 -6.924 -12.158 -6.145 1.00 63.43 ATOM 120 HA HIS 8 -7.032 -11.100 -5.953 1.00 62.24 ATOM 121 CB HIS 8 -8.175 -12.890 -5.636 1.00 50.14 ATOM 122 HB1 HIS 8 -8.197 -12.844 -4.556 1.00 37.07 ATOM 123 HB2 HIS 8 -8.129 -13.924 -5.944 1.00 23.14 ATOM 124 CG HIS 8 -9.463 -12.317 -6.148 1.00 21.35 ATOM 125 ND1 HIS 8 -9.984 -12.621 -7.387 1.00 11.25 ATOM 126 HD1 HIS 8 -9.588 -13.235 -8.038 1.00 70.21 ATOM 127 CD2 HIS 8 -10.336 -11.446 -5.583 1.00 71.43 ATOM 128 HD2 HIS 8 -10.249 -10.994 -4.605 1.00 72.31 ATOM 129 CE1 HIS 8 -11.112 -11.964 -7.564 1.00 13.54 ATOM 130 HE1 HIS 8 -11.734 -12.006 -8.447 1.00 71.14 ATOM 131 NE2 HIS 8 -11.351 -11.247 -6.487 1.00 22.13 ATOM 132 HE2 HIS 8 -12.207 -10.811 -6.287 1.00 37.07 ATOM 133 C HIS 8 -5.677 -12.671 -5.401 1.00 3.24 ATOM 134 O HIS 8 -4.699 -13.089 -6.024 1.00 72.23 ATOM 135 N SER 9 -5.712 -12.638 -4.069 1.00 72.43 ATOM 136 HN SER 9 -6.503 -12.274 -3.620 1.00 37.07 ATOM 137 CA SER 9 -4.590 -13.136 -3.255 1.00 45.20 ATOM 138 HA SER 9 -4.028 -13.833 -3.862 1.00 63.32 ATOM 139 CB SER 9 -3.660 -11.984 -2.846 1.00 2.25 ATOM 140 HB1 SER 9 -4.197 -11.297 -2.208 1.00 37.07 ATOM 141 HB2 SER 9 -3.323 -11.465 -3.731 1.00 3.44 ATOM 142 OG SER 9 -2.522 -12.466 -2.140 1.00 0.42 ATOM 143 HG SER 9 -2.245 -11.807 -1.490 1.00 31.33 ATOM 144 C SER 9 -5.078 -13.876 -2.001 1.00 34.30 ATOM 145 O SER 9 -6.244 -13.774 -1.613 1.00 4.14 ATOM 146 N HIS 10 -4.169 -14.620 -1.374 1.00 51.10 ATOM 147 HN HIS 10 -3.251 -14.628 -1.719 1.00 37.07 ATOM 148 CA HIS 10 -4.483 -15.407 -0.178 1.00 40.04 ATOM 149 HA HIS 10 -5.345 -14.962 0.298 1.00 2.53 ATOM 150 CB HIS 10 -4.821 -16.856 -0.572 1.00 75.33 ATOM 151 HB1 HIS 10 -5.698 -16.854 -1.205 1.00 37.07 ATOM 152 HB2 HIS 10 -5.034 -17.424 0.321 1.00 10.35 ATOM 153 CG HIS 10 -3.717 -17.559 -1.312 1.00 23.25 ATOM 154 ND1 HIS 10 -2.816 -18.402 -0.697 1.00 51.43 ATOM 155 HD1 HIS 10 -2.792 -18.619 0.256 1.00 31.40 ATOM 156 CD2 HIS 10 -3.372 -17.544 -2.625 1.00 45.54 ATOM 157 HD2 HIS 10 -3.864 -16.991 -3.412 1.00 64.23 ATOM 158 CE1 HIS 10 -1.970 -18.872 -1.592 1.00 52.51 ATOM 159 HE1 HIS 10 -1.156 -19.554 -1.395 1.00 31.52 ATOM 160 NE2 HIS 10 -2.285 -18.370 -2.766 1.00 24.54 ATOM 161 HE2 HIS 10 -1.743 -18.461 -3.579 1.00 37.07 ATOM 162 C HIS 10 -3.303 -15.391 0.812 1.00 33.14 ATOM 163 O HIS 10 -2.143 -15.439 0.400 1.00 65.34 ATOM 164 N PRO 11 -3.574 -15.333 2.133 1.00 23.11 ATOM 165 CA PRO 11 -2.509 -15.314 3.156 1.00 43.04 ATOM 166 HA PRO 11 -1.856 -14.462 3.019 1.00 45.23 ATOM 167 CB PRO 11 -3.277 -15.159 4.479 1.00 12.12 ATOM 168 HB1 PRO 11 -3.274 -14.121 4.780 1.00 37.07 ATOM 169 HB2 PRO 11 -2.809 -15.760 5.248 1.00 62.52 ATOM 170 CG PRO 11 -4.659 -15.633 4.178 1.00 4.44 ATOM 171 HG1 PRO 11 -5.366 -15.135 4.827 1.00 37.07 ATOM 172 HG2 PRO 11 -4.718 -16.705 4.314 1.00 3.21 ATOM 173 CD PRO 11 -4.919 -15.272 2.738 1.00 2.21 ATOM 174 HD1 PRO 11 -5.331 -14.275 2.663 1.00 37.07 ATOM 175 HD2 PRO 11 -5.584 -15.993 2.281 1.00 42.25 ATOM 176 C PRO 11 -1.659 -16.599 3.161 1.00 55.30 ATOM 177 O PRO 11 -2.173 -17.703 3.373 1.00 4.02 ATOM 178 N ASN 12 -0.357 -16.441 2.918 1.00 4.04 ATOM 179 HN ASN 12 -0.019 -15.539 2.737 1.00 37.07 ATOM 180 CA ASN 12 0.585 -17.569 2.896 1.00 34.43 ATOM 181 HA ASN 12 0.257 -18.257 2.130 1.00 54.23 ATOM 182 CB ASN 12 1.993 -17.061 2.539 1.00 50.35 ATOM 183 HB1 ASN 12 2.293 -16.314 3.262 1.00 37.07 ATOM 184 HB2 ASN 12 1.965 -16.609 1.558 1.00 50.12 ATOM 185 CG ASN 12 3.042 -18.163 2.522 1.00 2.51 ATOM 186 OD1 ASN 12 2.748 -19.315 2.223 1.00 20.32 ATOM 187 ND2 ASN 12 4.270 -17.820 2.852 1.00 34.43 ATOM 188 HD21 ASN 12 4.444 -16.885 3.090 1.00 2.35 ATOM 189 HD22 ASN 12 4.962 -18.514 2.837 1.00 61.34 ATOM 190 C ASN 12 0.619 -18.312 4.245 1.00 71.13 ATOM 191 O ASN 12 0.411 -17.713 5.304 1.00 13.22 ATOM 192 N GLU 13 0.888 -19.615 4.188 1.00 63.32 ATOM 193 HN GLU 13 1.015 -20.031 3.307 1.00 37.07 ATOM 194 CA GLU 13 1.004 -20.456 5.385 1.00 22.02 ATOM 195 HA GLU 13 0.023 -20.536 5.828 1.00 32.43 ATOM 196 CB GLU 13 1.478 -21.860 4.968 1.00 31.42 ATOM 197 HB1 GLU 13 2.397 -21.759 4.405 1.00 37.07 ATOM 198 HB2 GLU 13 0.728 -22.296 4.323 1.00 34.35 ATOM 199 CG GLU 13 1.728 -22.827 6.128 1.00 44.44 ATOM 200 HG1 GLU 13 1.107 -23.704 5.993 1.00 37.07 ATOM 201 HG2 GLU 13 1.458 -22.342 7.056 1.00 73.42 ATOM 202 CD GLU 13 3.183 -23.271 6.212 1.00 64.31 ATOM 203 OE1 GLU 13 3.583 -24.161 5.424 1.00 15.01 ATOM 204 OE2 GLU 13 3.929 -22.722 7.045 1.00 55.21 ATOM 205 C GLU 13 1.962 -19.838 6.418 1.00 31.34 ATOM 206 O GLU 13 1.595 -19.620 7.574 1.00 25.02 ATOM 207 N GLU 14 3.175 -19.528 5.978 1.00 31.54 ATOM 208 HN GLU 14 3.403 -19.727 5.046 1.00 37.07 ATOM 209 CA GLU 14 4.191 -18.925 6.847 1.00 15.50 ATOM 210 HA GLU 14 4.275 -19.545 7.730 1.00 64.42 ATOM 211 CB GLU 14 5.541 -18.916 6.124 1.00 33.51 ATOM 212 HB1 GLU 14 6.302 -18.561 6.804 1.00 37.07 ATOM 213 HB2 GLU 14 5.482 -18.245 5.278 1.00 12.34 ATOM 214 CG GLU 14 5.956 -20.294 5.618 1.00 30.34 ATOM 215 HG1 GLU 14 5.194 -20.659 4.941 1.00 37.07 ATOM 216 HG2 GLU 14 6.028 -20.964 6.464 1.00 40.41 ATOM 217 CD GLU 14 7.289 -20.287 4.890 1.00 45.13 ATOM 218 OE1 GLU 14 7.408 -19.585 3.865 1.00 63.12 ATOM 219 OE2 GLU 14 8.221 -20.999 5.325 1.00 61.54 ATOM 220 C GLU 14 3.799 -17.499 7.291 1.00 72.41 ATOM 221 O GLU 14 4.212 -17.030 8.356 1.00 41.22 ATOM 222 N ALA 15 3.003 -16.812 6.470 1.00 34.22 ATOM 223 HN ALA 15 2.729 -17.223 5.626 1.00 37.07 ATOM 224 CA ALA 15 2.524 -15.462 6.795 1.00 11.35 ATOM 225 HA ALA 15 3.382 -14.863 7.071 1.00 21.04 ATOM 226 CB ALA 15 1.873 -14.821 5.575 1.00 54.13 ATOM 227 HB1 ALA 15 1.591 -13.805 5.805 1.00 12.13 ATOM 228 HB2 ALA 15 0.994 -15.384 5.298 1.00 63.44 ATOM 229 HB3 ALA 15 2.573 -14.822 4.751 1.00 24.33 ATOM 230 C ALA 15 1.536 -15.485 7.972 1.00 22.01 ATOM 231 O ALA 15 1.678 -14.727 8.931 1.00 21.12 ATOM 232 N ARG 16 0.532 -16.359 7.895 1.00 22.00 ATOM 233 HN ARG 16 0.439 -16.912 7.089 1.00 37.07 ATOM 234 CA ARG 16 -0.438 -16.508 8.988 1.00 52.30 ATOM 235 HA ARG 16 -0.749 -15.511 9.268 1.00 12.31 ATOM 236 CB ARG 16 -1.680 -17.291 8.531 1.00 24.35 ATOM 237 HB1 ARG 16 -2.175 -16.725 7.753 1.00 37.07 ATOM 238 HB2 ARG 16 -2.355 -17.386 9.371 1.00 52.54 ATOM 239 CG ARG 16 -1.396 -18.690 7.994 1.00 25.54 ATOM 240 HG1 ARG 16 -1.023 -19.307 8.800 1.00 37.07 ATOM 241 HG2 ARG 16 -0.648 -18.623 7.216 1.00 70.54 ATOM 242 CD ARG 16 -2.657 -19.332 7.418 1.00 0.54 ATOM 243 HD1 ARG 16 -3.049 -18.690 6.640 1.00 37.07 ATOM 244 HD2 ARG 16 -3.390 -19.427 8.206 1.00 32.03 ATOM 245 NE ARG 16 -2.399 -20.655 6.858 1.00 45.43 ATOM 246 HE ARG 16 -2.248 -21.388 7.485 1.00 31.23 ATOM 247 CZ ARG 16 -2.376 -20.921 5.579 1.00 74.12 ATOM 248 NH1 ARG 16 -2.564 -19.985 4.703 1.00 63.01 ATOM 249 HH11 ARG 16 -2.728 -19.049 4.997 1.00 73.14 ATOM 250 HH12 ARG 16 -2.535 -20.205 3.730 1.00 34.52 ATOM 251 NH2 ARG 16 -2.158 -22.127 5.175 1.00 53.32 ATOM 252 HH21 ARG 16 -2.009 -22.855 5.841 1.00 43.41 ATOM 253 HH22 ARG 16 -2.134 -22.325 4.197 1.00 32.31 ATOM 254 C ARG 16 0.214 -17.160 10.217 1.00 45.31 ATOM 255 O ARG 16 -0.166 -16.877 11.357 1.00 72.23 ATOM 256 N LEU 17 1.190 -18.037 9.976 1.00 4.12 ATOM 257 HN LEU 17 1.356 -18.319 9.051 1.00 37.07 ATOM 258 CA LEU 17 2.016 -18.604 11.050 1.00 61.14 ATOM 259 HA LEU 17 1.378 -19.221 11.668 1.00 13.24 ATOM 260 CB LEU 17 3.133 -19.476 10.455 1.00 33.43 ATOM 261 HB1 LEU 17 3.645 -18.897 9.697 1.00 37.07 ATOM 262 HB2 LEU 17 2.675 -20.332 9.977 1.00 12.11 ATOM 263 CG LEU 17 4.182 -19.987 11.460 1.00 12.31 ATOM 264 HG LEU 17 4.657 -19.138 11.931 1.00 34.41 ATOM 265 CD1 LEU 17 3.525 -20.814 12.558 1.00 54.54 ATOM 266 HD11 LEU 17 3.024 -21.665 12.120 1.00 52.44 ATOM 267 HD12 LEU 17 2.804 -20.206 13.085 1.00 35.33 ATOM 268 HD13 LEU 17 4.278 -21.159 13.252 1.00 60.52 ATOM 269 CD2 LEU 17 5.268 -20.793 10.750 1.00 63.51 ATOM 270 HD21 LEU 17 4.824 -21.646 10.258 1.00 75.30 ATOM 271 HD22 LEU 17 5.995 -21.134 11.474 1.00 4.11 ATOM 272 HD23 LEU 17 5.759 -20.169 10.015 1.00 74.33 ATOM 273 C LEU 17 2.633 -17.497 11.923 1.00 51.15 ATOM 274 O LEU 17 2.666 -17.601 13.152 1.00 10.21 ATOM 275 N ASP 18 3.124 -16.441 11.278 1.00 43.42 ATOM 276 HN ASP 18 3.094 -16.425 10.297 1.00 37.07 ATOM 277 CA ASP 18 3.717 -15.307 11.991 1.00 14.52 ATOM 278 HA ASP 18 4.543 -15.683 12.580 1.00 11.21 ATOM 279 CB ASP 18 4.249 -14.275 10.990 1.00 52.12 ATOM 280 HB1 ASP 18 3.415 -13.769 10.522 1.00 37.07 ATOM 281 HB2 ASP 18 4.826 -14.785 10.230 1.00 20.41 ATOM 282 CG ASP 18 5.141 -13.240 11.651 1.00 51.34 ATOM 283 OD1 ASP 18 6.225 -13.620 12.141 1.00 74.23 ATOM 284 OD2 ASP 18 4.776 -12.046 11.680 1.00 42.03 ATOM 285 C ASP 18 2.693 -14.659 12.938 1.00 23.12 ATOM 286 O ASP 18 3.006 -14.343 14.088 1.00 11.15 ATOM 287 N ILE 19 1.463 -14.489 12.448 1.00 13.15 ATOM 288 HN ILE 19 1.290 -14.734 11.514 1.00 37.07 ATOM 289 CA ILE 19 0.363 -13.950 13.260 1.00 44.02 ATOM 290 HA ILE 19 0.625 -12.945 13.561 1.00 2.52 ATOM 291 CB ILE 19 -0.959 -13.897 12.453 1.00 14.25 ATOM 292 HB ILE 19 -1.295 -14.913 12.293 1.00 50.32 ATOM 293 CG1 ILE 19 -0.743 -13.224 11.088 1.00 43.10 ATOM 294 HG11 ILE 19 0.099 -13.687 10.591 1.00 37.07 ATOM 295 HG12 ILE 19 -0.534 -12.175 11.238 1.00 35.41 ATOM 296 CG2 ILE 19 -2.042 -13.163 13.245 1.00 54.32 ATOM 297 HG21 ILE 19 -2.212 -13.674 14.182 1.00 55.51 ATOM 298 HG22 ILE 19 -2.961 -13.147 12.676 1.00 11.53 ATOM 299 HG23 ILE 19 -1.724 -12.150 13.441 1.00 51.13 ATOM 300 CD1 ILE 19 -1.943 -13.332 10.168 1.00 63.45 ATOM 301 HD11 ILE 19 -1.724 -12.844 9.230 1.00 3.23 ATOM 302 HD12 ILE 19 -2.798 -12.859 10.629 1.00 31.12 ATOM 303 HD13 ILE 19 -2.163 -14.377 9.988 1.00 54.33 ATOM 304 C ILE 19 0.138 -14.816 14.512 1.00 72.14 ATOM 305 O ILE 19 0.020 -14.306 15.630 1.00 14.32 ATOM 306 N LEU 20 0.083 -16.132 14.304 1.00 73.43 ATOM 307 HN LEU 20 0.124 -16.466 13.381 1.00 37.07 ATOM 308 CA LEU 20 -0.037 -17.099 15.402 1.00 22.12 ATOM 309 HA LEU 20 -0.991 -16.937 15.884 1.00 30.44 ATOM 310 CB LEU 20 0.004 -18.527 14.840 1.00 24.33 ATOM 311 HB1 LEU 20 0.032 -19.221 15.669 1.00 37.07 ATOM 312 HB2 LEU 20 0.917 -18.639 14.270 1.00 25.20 ATOM 313 CG LEU 20 -1.184 -18.904 13.936 1.00 15.14 ATOM 314 HG LEU 20 -1.359 -18.102 13.232 1.00 21.34 ATOM 315 CD1 LEU 20 -0.887 -20.169 13.135 1.00 63.43 ATOM 316 HD11 LEU 20 -0.007 -20.011 12.528 1.00 72.24 ATOM 317 HD12 LEU 20 -1.727 -20.392 12.493 1.00 14.21 ATOM 318 HD13 LEU 20 -0.718 -20.996 13.809 1.00 53.45 ATOM 319 CD2 LEU 20 -2.454 -19.084 14.767 1.00 41.41 ATOM 320 HD21 LEU 20 -2.306 -19.877 15.488 1.00 60.30 ATOM 321 HD22 LEU 20 -3.278 -19.340 14.117 1.00 12.44 ATOM 322 HD23 LEU 20 -2.679 -18.164 15.286 1.00 63.42 ATOM 323 C LEU 20 1.081 -16.900 16.437 1.00 74.11 ATOM 324 O LEU 20 0.833 -16.895 17.645 1.00 42.32 ATOM 325 N LYS 21 2.309 -16.720 15.952 1.00 1.22 ATOM 326 HN LYS 21 2.449 -16.774 14.980 1.00 37.07 ATOM 327 CA LYS 21 3.456 -16.448 16.825 1.00 45.23 ATOM 328 HA LYS 21 3.538 -17.269 17.524 1.00 44.44 ATOM 329 CB LYS 21 4.749 -16.367 16.003 1.00 23.12 ATOM 330 HB1 LYS 21 5.539 -15.981 16.634 1.00 37.07 ATOM 331 HB2 LYS 21 4.595 -15.683 15.180 1.00 61.31 ATOM 332 CG LYS 21 5.209 -17.704 15.430 1.00 33.32 ATOM 333 HG1 LYS 21 4.439 -18.088 14.776 1.00 37.07 ATOM 334 HG2 LYS 21 5.370 -18.398 16.243 1.00 23.34 ATOM 335 CD LYS 21 6.507 -17.560 14.637 1.00 33.40 ATOM 336 HD1 LYS 21 7.220 -16.999 15.227 1.00 37.07 ATOM 337 HD2 LYS 21 6.301 -17.027 13.719 1.00 51.23 ATOM 338 CE LYS 21 7.110 -18.917 14.294 1.00 74.33 ATOM 339 HE1 LYS 21 7.968 -18.767 13.654 1.00 37.07 ATOM 340 HE2 LYS 21 6.371 -19.508 13.772 1.00 71.42 ATOM 341 NZ LYS 21 7.540 -19.652 15.515 1.00 52.12 ATOM 342 HZ1 LYS 21 8.296 -19.128 15.998 1.00 53.34 ATOM 343 HZ2 LYS 21 7.898 -20.591 15.261 1.00 71.42 ATOM 344 HZ3 LYS 21 6.742 -19.764 16.172 1.00 23.31 ATOM 345 C LYS 21 3.267 -15.147 17.622 1.00 24.03 ATOM 346 O LYS 21 3.659 -15.064 18.786 1.00 40.41 ATOM 347 N ILE 22 2.667 -14.138 16.989 1.00 5.22 ATOM 348 HN ILE 22 2.364 -14.270 16.062 1.00 37.07 ATOM 349 CA ILE 22 2.451 -12.833 17.632 1.00 5.54 ATOM 350 HA ILE 22 3.408 -12.493 18.008 1.00 14.01 ATOM 351 CB ILE 22 1.932 -11.781 16.615 1.00 13.14 ATOM 352 HB ILE 22 1.011 -12.154 16.190 1.00 53.22 ATOM 353 CG1 ILE 22 2.955 -11.574 15.485 1.00 21.22 ATOM 354 HG11 ILE 22 3.158 -12.523 15.012 1.00 37.07 ATOM 355 HG12 ILE 22 3.871 -11.187 15.905 1.00 11.23 ATOM 356 CG2 ILE 22 1.625 -10.452 17.312 1.00 54.31 ATOM 357 HG21 ILE 22 2.520 -10.079 17.790 1.00 15.54 ATOM 358 HG22 ILE 22 0.856 -10.601 18.057 1.00 32.40 ATOM 359 HG23 ILE 22 1.281 -9.732 16.583 1.00 43.14 ATOM 360 CD1 ILE 22 2.500 -10.607 14.410 1.00 52.02 ATOM 361 HD11 ILE 22 1.577 -10.962 13.972 1.00 15.04 ATOM 362 HD12 ILE 22 3.258 -10.539 13.644 1.00 62.50 ATOM 363 HD13 ILE 22 2.341 -9.631 14.844 1.00 55.23 ATOM 364 C ILE 22 1.464 -12.929 18.814 1.00 22.32 ATOM 365 O ILE 22 1.748 -12.446 19.912 1.00 2.02 ATOM 366 N HIS 23 0.308 -13.556 18.590 1.00 44.34 ATOM 367 HN HIS 23 0.145 -13.953 17.706 1.00 37.07 ATOM 368 CA HIS 23 -0.724 -13.669 19.636 1.00 73.20 ATOM 369 HA HIS 23 -0.858 -12.686 20.068 1.00 73.54 ATOM 370 CB HIS 23 -2.057 -14.121 19.027 1.00 44.51 ATOM 371 HB1 HIS 23 -2.759 -14.333 19.822 1.00 37.07 ATOM 372 HB2 HIS 23 -1.895 -15.020 18.449 1.00 15.35 ATOM 373 CG HIS 23 -2.681 -13.103 18.123 1.00 74.01 ATOM 374 ND1 HIS 23 -3.686 -12.252 18.527 1.00 12.02 ATOM 375 HD1 HIS 23 -4.081 -12.212 19.426 1.00 32.22 ATOM 376 CD2 HIS 23 -2.443 -12.805 16.825 1.00 11.23 ATOM 377 HD2 HIS 23 -1.715 -13.280 16.182 1.00 43.15 ATOM 378 CE1 HIS 23 -4.038 -11.480 17.520 1.00 54.55 ATOM 379 HE1 HIS 23 -4.804 -10.719 17.546 1.00 52.42 ATOM 380 NE2 HIS 23 -3.300 -11.793 16.475 1.00 10.42 ATOM 381 HE2 HIS 23 -3.205 -11.231 15.674 1.00 37.07 ATOM 382 C HIS 23 -0.304 -14.637 20.757 1.00 62.53 ATOM 383 O HIS 23 -0.578 -14.395 21.934 1.00 4.54 ATOM 384 N SER 24 0.373 -15.724 20.388 1.00 34.12 ATOM 385 HN SER 24 0.580 -15.856 19.438 1.00 37.07 ATOM 386 CA SER 24 0.805 -16.743 21.364 1.00 65.22 ATOM 387 HA SER 24 -0.074 -17.061 21.907 1.00 2.41 ATOM 388 CB SER 24 1.394 -17.962 20.641 1.00 75.23 ATOM 389 HB1 SER 24 1.715 -18.690 21.372 1.00 37.07 ATOM 390 HB2 SER 24 2.241 -17.654 20.043 1.00 63.23 ATOM 391 OG SER 24 0.430 -18.566 19.792 1.00 71.51 ATOM 392 HG SER 24 0.654 -18.389 18.874 1.00 24.30 ATOM 393 C SER 24 1.823 -16.191 22.379 1.00 11.33 ATOM 394 O SER 24 2.098 -16.826 23.396 1.00 33.41 ATOM 395 N ARG 25 2.368 -15.000 22.106 1.00 61.31 ATOM 396 HN ARG 25 2.127 -14.552 21.268 1.00 37.07 ATOM 397 CA ARG 25 3.319 -14.341 23.019 1.00 10.11 ATOM 398 HA ARG 25 4.162 -15.005 23.150 1.00 35.34 ATOM 399 CB ARG 25 3.818 -13.022 22.401 1.00 10.35 ATOM 400 HB1 ARG 25 4.421 -12.501 23.132 1.00 37.07 ATOM 401 HB2 ARG 25 2.962 -12.410 22.154 1.00 54.14 ATOM 402 CG ARG 25 4.655 -13.202 21.135 1.00 4.32 ATOM 403 HG1 ARG 25 4.127 -13.858 20.457 1.00 37.07 ATOM 404 HG2 ARG 25 5.601 -13.651 21.402 1.00 30.35 ATOM 405 CD ARG 25 4.926 -11.874 20.426 1.00 12.00 ATOM 406 HD1 ARG 25 3.978 -11.406 20.193 1.00 37.07 ATOM 407 HD2 ARG 25 5.455 -12.077 19.507 1.00 71.24 ATOM 408 NE ARG 25 5.724 -10.947 21.230 1.00 60.20 ATOM 409 HE ARG 25 5.741 -11.080 22.199 1.00 75.30 ATOM 410 CZ ARG 25 6.409 -9.950 20.727 1.00 74.53 ATOM 411 NH1 ARG 25 6.422 -9.734 19.447 1.00 61.32 ATOM 412 HH11 ARG 25 5.908 -10.329 18.833 1.00 65.21 ATOM 413 HH12 ARG 25 6.951 -8.975 19.075 1.00 22.32 ATOM 414 NH2 ARG 25 7.082 -9.172 21.509 1.00 22.01 ATOM 415 HH21 ARG 25 7.077 -9.334 22.493 1.00 41.23 ATOM 416 HH22 ARG 25 7.614 -8.418 21.128 1.00 30.43 ATOM 417 C ARG 25 2.697 -14.055 24.401 1.00 1.04 ATOM 418 O ARG 25 3.414 -13.829 25.379 1.00 43.44 ATOM 419 N LYS 26 1.365 -14.064 24.478 1.00 35.23 ATOM 420 HN LYS 26 0.843 -14.298 23.680 1.00 37.07 ATOM 421 CA LYS 26 0.655 -13.722 25.720 1.00 21.31 ATOM 422 HA LYS 26 1.358 -13.232 26.380 1.00 2.43 ATOM 423 CB LYS 26 -0.487 -12.741 25.409 1.00 75.02 ATOM 424 HB1 LYS 26 -0.930 -12.414 26.340 1.00 37.07 ATOM 425 HB2 LYS 26 -1.239 -13.256 24.826 1.00 13.50 ATOM 426 CG LYS 26 -0.044 -11.504 24.630 1.00 1.41 ATOM 427 HG1 LYS 26 -0.908 -10.878 24.451 1.00 37.07 ATOM 428 HG2 LYS 26 0.370 -11.821 23.683 1.00 23.10 ATOM 429 CD LYS 26 1.012 -10.691 25.381 1.00 4.20 ATOM 430 HD1 LYS 26 1.856 -11.331 25.601 1.00 37.07 ATOM 431 HD2 LYS 26 0.585 -10.328 26.306 1.00 12.14 ATOM 432 CE LYS 26 1.499 -9.497 24.561 1.00 31.32 ATOM 433 HE1 LYS 26 1.918 -9.860 23.634 1.00 37.07 ATOM 434 HE2 LYS 26 2.266 -8.982 25.121 1.00 0.51 ATOM 435 NZ LYS 26 0.404 -8.537 24.254 1.00 42.32 ATOM 436 HZ1 LYS 26 -0.381 -9.025 23.781 1.00 31.43 ATOM 437 HZ2 LYS 26 0.755 -7.783 23.630 1.00 41.32 ATOM 438 HZ3 LYS 26 0.051 -8.104 25.133 1.00 0.23 ATOM 439 C LYS 26 0.093 -14.963 26.442 1.00 43.01 ATOM 440 O LYS 26 -0.621 -14.834 27.436 1.00 71.25 ATOM 441 N MET 27 0.410 -16.165 25.952 1.00 2.13 ATOM 442 HN MET 27 1.007 -16.226 25.175 1.00 37.07 ATOM 443 CA MET 27 -0.102 -17.403 26.568 1.00 22.41 ATOM 444 HA MET 27 -0.597 -17.130 27.491 1.00 12.22 ATOM 445 CB MET 27 -1.128 -18.085 25.647 1.00 25.41 ATOM 446 HB1 MET 27 -1.470 -18.996 26.121 1.00 37.07 ATOM 447 HB2 MET 27 -0.645 -18.337 24.714 1.00 11.34 ATOM 448 CG MET 27 -2.347 -17.224 25.333 1.00 73.33 ATOM 449 HG1 MET 27 -2.041 -16.408 24.695 1.00 37.07 ATOM 450 HG2 MET 27 -2.739 -16.826 26.258 1.00 53.51 ATOM 451 SD MET 27 -3.659 -18.144 24.501 1.00 64.23 ATOM 452 CE MET 27 -2.806 -18.765 23.052 1.00 72.45 ATOM 453 HE1 MET 27 -2.445 -17.936 22.463 1.00 0.01 ATOM 454 HE2 MET 27 -3.492 -19.355 22.461 1.00 12.15 ATOM 455 HE3 MET 27 -1.974 -19.380 23.358 1.00 44.31 ATOM 456 C MET 27 1.029 -18.389 26.909 1.00 51.21 ATOM 457 O MET 27 2.100 -18.361 26.306 1.00 72.20 ATOM 458 N ASN 28 0.771 -19.264 27.884 1.00 62.14 ATOM 459 HN ASN 28 -0.101 -19.226 28.333 1.00 37.07 ATOM 460 CA ASN 28 1.743 -20.280 28.310 1.00 31.01 ATOM 461 HA ASN 28 2.729 -19.835 28.277 1.00 54.42 ATOM 462 CB ASN 28 1.437 -20.713 29.754 1.00 14.20 ATOM 463 HB1 ASN 28 0.445 -21.142 29.791 1.00 37.07 ATOM 464 HB2 ASN 28 1.468 -19.844 30.396 1.00 12.45 ATOM 465 CG ASN 28 2.423 -21.732 30.293 1.00 70.12 ATOM 466 OD1 ASN 28 3.589 -21.747 29.920 1.00 62.21 ATOM 467 ND2 ASN 28 1.964 -22.590 31.180 1.00 1.22 ATOM 468 HD21 ASN 28 1.020 -22.527 31.440 1.00 74.12 ATOM 469 HD22 ASN 28 2.586 -23.247 31.549 1.00 63.10 ATOM 470 C ASN 28 1.714 -21.499 27.369 1.00 32.32 ATOM 471 O ASN 28 0.844 -22.363 27.486 1.00 72.05 ATOM 472 N LEU 29 2.662 -21.560 26.433 1.00 50.32 ATOM 473 HN LEU 29 3.356 -20.867 26.412 1.00 37.07 ATOM 474 CA LEU 29 2.698 -22.637 25.432 1.00 43.43 ATOM 475 HA LEU 29 1.677 -22.891 25.184 1.00 63.00 ATOM 476 CB LEU 29 3.406 -22.156 24.158 1.00 4.30 ATOM 477 HB1 LEU 29 3.412 -22.969 23.445 1.00 37.07 ATOM 478 HB2 LEU 29 4.430 -21.919 24.414 1.00 52.35 ATOM 479 CG LEU 29 2.786 -20.927 23.476 1.00 12.23 ATOM 480 HG LEU 29 2.830 -20.088 24.158 1.00 75.14 ATOM 481 CD1 LEU 29 3.583 -20.557 22.229 1.00 1.51 ATOM 482 HD11 LEU 29 4.615 -20.390 22.500 1.00 52.34 ATOM 483 HD12 LEU 29 3.178 -19.657 21.797 1.00 45.23 ATOM 484 HD13 LEU 29 3.525 -21.361 21.508 1.00 43.15 ATOM 485 CD2 LEU 29 1.317 -21.176 23.128 1.00 11.44 ATOM 486 HD21 LEU 29 0.910 -20.304 22.637 1.00 13.24 ATOM 487 HD22 LEU 29 0.759 -21.368 24.033 1.00 53.42 ATOM 488 HD23 LEU 29 1.237 -22.030 22.469 1.00 34.33 ATOM 489 C LEU 29 3.402 -23.897 25.959 1.00 62.11 ATOM 490 O LEU 29 4.303 -23.822 26.799 1.00 74.11 ATOM 491 N THR 30 2.982 -25.059 25.456 1.00 0.44 ATOM 492 HN THR 30 2.219 -25.061 24.838 1.00 37.07 ATOM 493 CA THR 30 3.619 -26.333 25.812 1.00 2.13 ATOM 494 HA THR 30 3.770 -26.342 26.884 1.00 51.55 ATOM 495 CB THR 30 2.730 -27.548 25.440 1.00 0.20 ATOM 496 HB THR 30 1.760 -27.414 25.899 1.00 14.22 ATOM 497 OG1 THR 30 3.316 -28.761 25.943 1.00 22.02 ATOM 498 HG1 THR 30 3.326 -29.432 25.242 1.00 21.52 ATOM 499 CG2 THR 30 2.539 -27.660 23.931 1.00 14.35 ATOM 500 HG21 THR 30 3.501 -27.785 23.454 1.00 13.01 ATOM 501 HG22 THR 30 2.067 -26.763 23.558 1.00 53.41 ATOM 502 HG23 THR 30 1.915 -28.513 23.708 1.00 42.50 ATOM 503 C THR 30 4.980 -26.496 25.121 1.00 4.22 ATOM 504 O THR 30 5.222 -25.933 24.051 1.00 2.00 ATOM 505 N ARG 31 5.863 -27.279 25.732 1.00 3.30 ATOM 506 HN ARG 31 5.615 -27.705 26.580 1.00 37.07 ATOM 507 CA ARG 31 7.191 -27.531 25.163 1.00 31.44 ATOM 508 HA ARG 31 7.609 -26.575 24.878 1.00 32.12 ATOM 509 CB ARG 31 8.116 -28.182 26.207 1.00 14.21 ATOM 510 HB1 ARG 31 8.956 -28.634 25.695 1.00 37.07 ATOM 511 HB2 ARG 31 7.568 -28.959 26.723 1.00 55.42 ATOM 512 CG ARG 31 8.665 -27.211 27.254 1.00 73.21 ATOM 513 HG1 ARG 31 9.178 -26.405 26.746 1.00 37.07 ATOM 514 HG2 ARG 31 9.369 -27.740 27.881 1.00 73.42 ATOM 515 CD ARG 31 7.574 -26.621 28.142 1.00 35.32 ATOM 516 HD1 ARG 31 7.106 -27.420 28.700 1.00 37.07 ATOM 517 HD2 ARG 31 6.836 -26.138 27.516 1.00 25.21 ATOM 518 NE ARG 31 8.116 -25.640 29.076 1.00 21.55 ATOM 519 HE ARG 31 9.059 -25.399 28.979 1.00 52.01 ATOM 520 CZ ARG 31 7.433 -25.054 30.018 1.00 10.32 ATOM 521 NH1 ARG 31 6.181 -25.329 30.205 1.00 12.12 ATOM 522 HH11 ARG 31 5.725 -25.994 29.624 1.00 70.33 ATOM 523 HH12 ARG 31 5.680 -24.870 30.936 1.00 12.51 ATOM 524 NH2 ARG 31 8.011 -24.182 30.774 1.00 23.40 ATOM 525 HH21 ARG 31 8.972 -23.961 30.631 1.00 40.23 ATOM 526 HH22 ARG 31 7.493 -23.728 31.496 1.00 1.03 ATOM 527 C ARG 31 7.103 -28.415 23.910 1.00 21.41 ATOM 528 O ARG 31 6.510 -29.495 23.936 1.00 54.42 ATOM 529 N GLY 32 7.696 -27.946 22.814 1.00 33.34 ATOM 530 HN GLY 32 8.157 -27.080 22.853 1.00 37.07 ATOM 531 CA GLY 32 7.676 -28.699 21.564 1.00 64.30 ATOM 532 HA1 GLY 32 7.754 -29.754 21.788 1.00 37.07 ATOM 533 HA2 GLY 32 8.532 -28.408 20.971 1.00 52.50 ATOM 534 C GLY 32 6.412 -28.463 20.742 1.00 61.22 ATOM 535 O GLY 32 6.072 -29.265 19.869 1.00 14.03 ATOM 536 N ILE 33 5.709 -27.365 21.020 1.00 10.11 ATOM 537 HN ILE 33 5.999 -26.788 21.758 1.00 37.07 ATOM 538 CA ILE 33 4.504 -27.006 20.263 1.00 52.31 ATOM 539 HA ILE 33 3.884 -27.891 20.195 1.00 25.23 ATOM 540 CB ILE 33 3.691 -25.903 20.993 1.00 41.12 ATOM 541 HB ILE 33 3.509 -26.242 22.003 1.00 62.33 ATOM 542 CG1 ILE 33 2.337 -25.670 20.298 1.00 54.31 ATOM 543 HG11 ILE 33 1.797 -26.606 20.256 1.00 37.07 ATOM 544 HG12 ILE 33 2.509 -25.318 19.293 1.00 71.22 ATOM 545 CG2 ILE 33 4.492 -24.602 21.079 1.00 61.40 ATOM 546 HG21 ILE 33 3.915 -23.857 21.607 1.00 40.13 ATOM 547 HG22 ILE 33 4.712 -24.246 20.083 1.00 71.42 ATOM 548 HG23 ILE 33 5.416 -24.782 21.609 1.00 42.55 ATOM 549 CD1 ILE 33 1.452 -24.658 20.998 1.00 42.21 ATOM 550 HD11 ILE 33 1.243 -24.994 22.004 1.00 10.43 ATOM 551 HD12 ILE 33 0.526 -24.556 20.455 1.00 11.11 ATOM 552 HD13 ILE 33 1.954 -23.700 21.034 1.00 61.22 ATOM 553 C ILE 33 4.858 -26.539 18.837 1.00 63.14 ATOM 554 O ILE 33 5.849 -25.836 18.627 1.00 43.20 ATOM 555 N ASN 34 4.047 -26.932 17.857 1.00 22.41 ATOM 556 HN ASN 34 3.243 -27.446 18.080 1.00 37.07 ATOM 557 CA ASN 34 4.325 -26.614 16.452 1.00 2.32 ATOM 558 HA ASN 34 5.208 -25.989 16.422 1.00 70.02 ATOM 559 CB ASN 34 4.614 -27.907 15.680 1.00 30.31 ATOM 560 HB1 ASN 34 3.757 -28.562 15.756 1.00 37.07 ATOM 561 HB2 ASN 34 5.472 -28.396 16.119 1.00 1.43 ATOM 562 CG ASN 34 4.904 -27.666 14.211 1.00 20.02 ATOM 563 OD1 ASN 34 5.387 -26.609 13.820 1.00 55.23 ATOM 564 ND2 ASN 34 4.611 -28.644 13.386 1.00 33.12 ATOM 565 HD21 ASN 34 4.223 -29.467 13.757 1.00 1.15 ATOM 566 HD22 ASN 34 4.803 -28.516 12.435 1.00 4.02 ATOM 567 C ASN 34 3.161 -25.842 15.806 1.00 21.03 ATOM 568 O ASN 34 2.167 -26.429 15.372 1.00 13.51 ATOM 569 N LEU 35 3.302 -24.522 15.735 1.00 34.03 ATOM 570 HN LEU 35 4.135 -24.116 16.054 1.00 37.07 ATOM 571 CA LEU 35 2.253 -23.656 15.187 1.00 53.13 ATOM 572 HA LEU 35 1.312 -23.961 15.623 1.00 72.15 ATOM 573 CB LEU 35 2.523 -22.193 15.567 1.00 62.22 ATOM 574 HB1 LEU 35 1.737 -21.583 15.143 1.00 37.07 ATOM 575 HB2 LEU 35 3.462 -21.897 15.120 1.00 11.20 ATOM 576 CG LEU 35 2.596 -21.901 17.076 1.00 25.11 ATOM 577 HG LEU 35 3.381 -22.503 17.512 1.00 40.32 ATOM 578 CD1 LEU 35 2.945 -20.434 17.324 1.00 53.53 ATOM 579 HD11 LEU 35 3.901 -20.209 16.870 1.00 51.04 ATOM 580 HD12 LEU 35 3.001 -20.249 18.388 1.00 14.11 ATOM 581 HD13 LEU 35 2.183 -19.801 16.888 1.00 51.21 ATOM 582 CD2 LEU 35 1.282 -22.271 17.764 1.00 24.14 ATOM 583 HD21 LEU 35 1.351 -22.045 18.819 1.00 42.51 ATOM 584 HD22 LEU 35 1.092 -23.326 17.637 1.00 1.32 ATOM 585 HD23 LEU 35 0.471 -21.705 17.327 1.00 11.33 ATOM 586 C LEU 35 2.151 -23.789 13.658 1.00 63.43 ATOM 587 O LEU 35 1.094 -23.552 13.077 1.00 73.23 ATOM 588 N ARG 36 3.253 -24.162 13.008 1.00 74.31 ATOM 589 HN ARG 36 4.079 -24.311 13.517 1.00 37.07 ATOM 590 CA ARG 36 3.261 -24.343 11.550 1.00 10.42 ATOM 591 HA ARG 36 2.909 -23.421 11.110 1.00 43.33 ATOM 592 CB ARG 36 4.687 -24.613 11.052 1.00 21.23 ATOM 593 HB1 ARG 36 5.054 -25.517 11.517 1.00 37.07 ATOM 594 HB2 ARG 36 5.318 -23.786 11.348 1.00 42.42 ATOM 595 CG ARG 36 4.793 -24.777 9.538 1.00 32.25 ATOM 596 HG1 ARG 36 4.245 -23.976 9.059 1.00 37.07 ATOM 597 HG2 ARG 36 4.358 -25.726 9.258 1.00 43.20 ATOM 598 CD ARG 36 6.241 -24.740 9.059 1.00 20.03 ATOM 599 HD1 ARG 36 6.808 -25.478 9.609 1.00 37.07 ATOM 600 HD2 ARG 36 6.649 -23.757 9.252 1.00 31.13 ATOM 601 NE ARG 36 6.345 -25.032 7.631 1.00 22.52 ATOM 602 HE ARG 36 6.013 -25.897 7.327 1.00 40.43 ATOM 603 CZ ARG 36 6.841 -24.220 6.736 1.00 44.51 ATOM 604 NH1 ARG 36 7.292 -23.055 7.071 1.00 14.44 ATOM 605 HH11 ARG 36 7.263 -22.767 8.022 1.00 54.01 ATOM 606 HH12 ARG 36 7.663 -22.444 6.373 1.00 65.22 ATOM 607 NH2 ARG 36 6.871 -24.585 5.497 1.00 54.15 ATOM 608 HH21 ARG 36 6.514 -25.478 5.236 1.00 52.51 ATOM 609 HH22 ARG 36 7.243 -23.971 4.806 1.00 21.45 ATOM 610 C ARG 36 2.309 -25.474 11.128 1.00 23.33 ATOM 611 O ARG 36 1.582 -25.354 10.142 1.00 25.42 ATOM 612 N LYS 37 2.312 -26.566 11.895 1.00 32.15 ATOM 613 HN LYS 37 3.001 -26.653 12.587 1.00 37.07 ATOM 614 CA LYS 37 1.327 -27.647 11.728 1.00 75.35 ATOM 615 HA LYS 37 1.528 -28.140 10.788 1.00 5.15 ATOM 616 CB LYS 37 1.495 -28.664 12.882 1.00 52.14 ATOM 617 HB1 LYS 37 1.453 -28.122 13.819 1.00 37.07 ATOM 618 HB2 LYS 37 2.473 -29.113 12.796 1.00 24.01 ATOM 619 CG LYS 37 0.468 -29.805 12.949 1.00 64.51 ATOM 620 HG1 LYS 37 0.889 -30.615 13.530 1.00 37.07 ATOM 621 HG2 LYS 37 0.266 -30.154 11.946 1.00 14.24 ATOM 622 CD LYS 37 -0.852 -29.367 13.595 1.00 63.13 ATOM 623 HD1 LYS 37 -1.465 -28.891 12.842 1.00 37.07 ATOM 624 HD2 LYS 37 -0.638 -28.657 14.381 1.00 72.55 ATOM 625 CE LYS 37 -1.627 -30.536 14.194 1.00 74.52 ATOM 626 HE1 LYS 37 -2.574 -30.169 14.564 1.00 37.07 ATOM 627 HE2 LYS 37 -1.058 -30.944 15.017 1.00 43.44 ATOM 628 NZ LYS 37 -1.883 -31.617 13.209 1.00 20.34 ATOM 629 HZ1 LYS 37 -0.985 -32.040 12.896 1.00 41.41 ATOM 630 HZ2 LYS 37 -2.378 -31.241 12.378 1.00 2.13 ATOM 631 HZ3 LYS 37 -2.470 -32.361 13.639 1.00 60.43 ATOM 632 C LYS 37 -0.097 -27.070 11.698 1.00 34.32 ATOM 633 O LYS 37 -0.933 -27.470 10.886 1.00 55.54 ATOM 634 N ILE 38 -0.353 -26.116 12.590 1.00 4.41 ATOM 635 HN ILE 38 0.359 -25.845 13.207 1.00 37.07 ATOM 636 CA ILE 38 -1.657 -25.452 12.679 1.00 42.53 ATOM 637 HA ILE 38 -2.417 -26.218 12.765 1.00 34.13 ATOM 638 CB ILE 38 -1.724 -24.551 13.943 1.00 50.43 ATOM 639 HB ILE 38 -1.017 -23.742 13.813 1.00 54.55 ATOM 640 CG1 ILE 38 -1.331 -25.356 15.197 1.00 54.11 ATOM 641 HG11 ILE 38 -1.408 -24.717 16.065 1.00 37.07 ATOM 642 HG12 ILE 38 -0.309 -25.692 15.096 1.00 24.22 ATOM 643 CG2 ILE 38 -3.113 -23.935 14.105 1.00 32.50 ATOM 644 HG21 ILE 38 -3.849 -24.721 14.201 1.00 24.33 ATOM 645 HG22 ILE 38 -3.343 -23.333 13.239 1.00 35.25 ATOM 646 HG23 ILE 38 -3.133 -23.314 14.989 1.00 64.11 ATOM 647 CD1 ILE 38 -2.192 -26.580 15.443 1.00 42.44 ATOM 648 HD11 ILE 38 -3.216 -26.274 15.600 1.00 30.54 ATOM 649 HD12 ILE 38 -1.833 -27.101 16.318 1.00 0.30 ATOM 650 HD13 ILE 38 -2.141 -27.237 14.587 1.00 41.11 ATOM 651 C ILE 38 -1.936 -24.608 11.422 1.00 31.42 ATOM 652 O ILE 38 -3.014 -24.693 10.826 1.00 21.12 ATOM 653 N ALA 39 -0.946 -23.817 11.013 1.00 61.25 ATOM 654 HN ALA 39 -0.112 -23.798 11.530 1.00 37.07 ATOM 655 CA ALA 39 -1.059 -22.970 9.819 1.00 2.52 ATOM 656 HA ALA 39 -1.883 -22.287 9.978 1.00 54.35 ATOM 657 CB ALA 39 0.210 -22.142 9.644 1.00 35.11 ATOM 658 HB1 ALA 39 1.048 -22.799 9.461 1.00 53.33 ATOM 659 HB2 ALA 39 0.393 -21.568 10.541 1.00 53.14 ATOM 660 HB3 ALA 39 0.092 -21.468 8.806 1.00 14.35 ATOM 661 C ALA 39 -1.341 -23.795 8.550 1.00 74.02 ATOM 662 O ALA 39 -2.035 -23.335 7.638 1.00 32.33 ATOM 663 N GLU 40 -0.803 -25.011 8.494 1.00 62.01 ATOM 664 HN GLU 40 -0.225 -25.311 9.231 1.00 37.07 ATOM 665 CA GLU 40 -1.028 -25.907 7.354 1.00 11.21 ATOM 666 HA GLU 40 -0.866 -25.331 6.453 1.00 24.03 ATOM 667 CB GLU 40 -0.017 -27.068 7.376 1.00 41.41 ATOM 668 HB1 GLU 40 -0.268 -27.765 6.588 1.00 37.07 ATOM 669 HB2 GLU 40 -0.091 -27.576 8.328 1.00 31.01 ATOM 670 CG GLU 40 1.433 -26.625 7.181 1.00 54.33 ATOM 671 HG1 GLU 40 1.746 -26.072 8.056 1.00 37.07 ATOM 672 HG2 GLU 40 1.485 -25.978 6.316 1.00 30.21 ATOM 673 CD GLU 40 2.392 -27.788 6.967 1.00 31.51 ATOM 674 OE1 GLU 40 3.344 -27.950 7.764 1.00 62.33 ATOM 675 OE2 GLU 40 2.210 -28.537 5.984 1.00 41.34 ATOM 676 C GLU 40 -2.470 -26.455 7.324 1.00 12.34 ATOM 677 O GLU 40 -3.011 -26.747 6.253 1.00 23.22 ATOM 678 N LEU 41 -3.095 -26.574 8.496 1.00 31.44 ATOM 679 HN LEU 41 -2.631 -26.293 9.314 1.00 37.07 ATOM 680 CA LEU 41 -4.460 -27.119 8.601 1.00 62.34 ATOM 681 HA LEU 41 -4.531 -27.954 7.917 1.00 32.40 ATOM 682 CB LEU 41 -4.722 -27.632 10.024 1.00 65.01 ATOM 683 HB1 LEU 41 -5.766 -27.910 10.098 1.00 37.07 ATOM 684 HB2 LEU 41 -4.537 -26.821 10.715 1.00 30.42 ATOM 685 CG LEU 41 -3.876 -28.838 10.459 1.00 11.22 ATOM 686 HG LEU 41 -2.830 -28.564 10.435 1.00 60.42 ATOM 687 CD1 LEU 41 -4.220 -29.245 11.891 1.00 35.14 ATOM 688 HD11 LEU 41 -4.042 -28.413 12.556 1.00 61.25 ATOM 689 HD12 LEU 41 -3.601 -30.080 12.188 1.00 24.13 ATOM 690 HD13 LEU 41 -5.260 -29.533 11.945 1.00 41.44 ATOM 691 CD2 LEU 41 -4.078 -30.010 9.501 1.00 31.00 ATOM 692 HD21 LEU 41 -3.783 -29.717 8.503 1.00 25.40 ATOM 693 HD22 LEU 41 -5.120 -30.300 9.497 1.00 53.42 ATOM 694 HD23 LEU 41 -3.474 -30.847 9.821 1.00 15.40 ATOM 695 C LEU 41 -5.539 -26.091 8.219 1.00 42.22 ATOM 696 O LEU 41 -6.689 -26.458 7.959 1.00 64.12 ATOM 697 N MET 42 -5.175 -24.811 8.192 1.00 34.23 ATOM 698 HN MET 42 -4.249 -24.576 8.408 1.00 37.07 ATOM 699 CA MET 42 -6.127 -23.741 7.853 1.00 53.11 ATOM 700 HA MET 42 -7.098 -24.200 7.723 1.00 73.53 ATOM 701 CB MET 42 -6.220 -22.737 9.017 1.00 30.30 ATOM 702 HB1 MET 42 -6.698 -23.222 9.856 1.00 37.07 ATOM 703 HB2 MET 42 -6.829 -21.900 8.706 1.00 41.51 ATOM 704 CG MET 42 -4.872 -22.196 9.485 1.00 35.23 ATOM 705 HG1 MET 42 -4.448 -21.591 8.696 1.00 37.07 ATOM 706 HG2 MET 42 -4.214 -23.030 9.687 1.00 53.44 ATOM 707 SD MET 42 -4.996 -21.192 10.980 1.00 42.53 ATOM 708 CE MET 42 -6.131 -19.911 10.451 1.00 11.53 ATOM 709 HE1 MET 42 -6.316 -19.234 11.272 1.00 1.13 ATOM 710 HE2 MET 42 -7.062 -20.361 10.139 1.00 62.22 ATOM 711 HE3 MET 42 -5.700 -19.365 9.625 1.00 42.15 ATOM 712 C MET 42 -5.751 -23.029 6.532 1.00 72.32 ATOM 713 O MET 42 -5.054 -22.014 6.533 1.00 34.24 ATOM 714 N PRO 43 -6.200 -23.568 5.378 1.00 54.22 ATOM 715 CA PRO 43 -5.913 -22.988 4.060 1.00 44.21 ATOM 716 HA PRO 43 -4.916 -22.568 4.024 1.00 31.13 ATOM 717 CB PRO 43 -5.984 -24.214 3.146 1.00 52.23 ATOM 718 HB1 PRO 43 -5.019 -24.699 3.114 1.00 37.07 ATOM 719 HB2 PRO 43 -6.272 -23.913 2.148 1.00 64.30 ATOM 720 CG PRO 43 -7.017 -25.099 3.775 1.00 54.22 ATOM 721 HG1 PRO 43 -6.764 -26.136 3.601 1.00 37.07 ATOM 722 HG2 PRO 43 -7.989 -24.880 3.355 1.00 5.21 ATOM 723 CD PRO 43 -7.010 -24.800 5.261 1.00 25.13 ATOM 724 HD1 PRO 43 -6.553 -25.613 5.807 1.00 37.07 ATOM 725 HD2 PRO 43 -8.017 -24.630 5.617 1.00 22.55 ATOM 726 C PRO 43 -6.937 -21.918 3.626 1.00 61.21 ATOM 727 O PRO 43 -8.147 -22.156 3.629 1.00 33.41 ATOM 728 N GLY 44 -6.443 -20.735 3.253 1.00 24.14 ATOM 729 HN GLY 44 -5.475 -20.591 3.292 1.00 37.07 ATOM 730 CA GLY 44 -7.320 -19.657 2.786 1.00 3.30 ATOM 731 HA1 GLY 44 -8.168 -20.093 2.277 1.00 37.07 ATOM 732 HA2 GLY 44 -6.772 -19.049 2.082 1.00 64.31 ATOM 733 C GLY 44 -7.834 -18.756 3.909 1.00 50.42 ATOM 734 O GLY 44 -8.309 -17.644 3.654 1.00 60.24 ATOM 735 N ALA 45 -7.740 -19.235 5.147 1.00 14.42 ATOM 736 HN ALA 45 -7.359 -20.125 5.279 1.00 37.07 ATOM 737 CA ALA 45 -8.188 -18.474 6.320 1.00 21.13 ATOM 738 HA ALA 45 -9.228 -18.215 6.169 1.00 14.41 ATOM 739 CB ALA 45 -8.096 -19.344 7.568 1.00 4.12 ATOM 740 HB1 ALA 45 -7.067 -19.631 7.734 1.00 11.35 ATOM 741 HB2 ALA 45 -8.700 -20.231 7.438 1.00 74.20 ATOM 742 HB3 ALA 45 -8.455 -18.788 8.423 1.00 55.12 ATOM 743 C ALA 45 -7.374 -17.181 6.503 1.00 2.44 ATOM 744 O ALA 45 -6.144 -17.195 6.445 1.00 43.53 ATOM 745 N SER 46 -8.069 -16.068 6.734 1.00 23.10 ATOM 746 HN SER 46 -9.043 -16.132 6.846 1.00 37.07 ATOM 747 CA SER 46 -7.424 -14.748 6.838 1.00 24.44 ATOM 748 HA SER 46 -6.478 -14.801 6.319 1.00 43.41 ATOM 749 CB SER 46 -8.299 -13.689 6.153 1.00 72.53 ATOM 750 HB1 SER 46 -7.818 -12.723 6.226 1.00 37.07 ATOM 751 HB2 SER 46 -9.262 -13.649 6.640 1.00 32.14 ATOM 752 OG SER 46 -8.494 -13.999 4.781 1.00 73.30 ATOM 753 HG SER 46 -8.267 -14.924 4.628 1.00 1.04 ATOM 754 C SER 46 -7.154 -14.345 8.295 1.00 1.50 ATOM 755 O SER 46 -7.406 -15.115 9.222 1.00 52.42 ATOM 756 N GLY 47 -6.662 -13.115 8.486 1.00 45.33 ATOM 757 HN GLY 47 -6.589 -12.508 7.720 1.00 37.07 ATOM 758 CA GLY 47 -6.248 -12.645 9.811 1.00 33.35 ATOM 759 HA1 GLY 47 -5.978 -11.601 9.734 1.00 37.07 ATOM 760 HA2 GLY 47 -5.374 -13.204 10.114 1.00 1.54 ATOM 761 C GLY 47 -7.320 -12.792 10.891 1.00 23.04 ATOM 762 O GLY 47 -7.016 -13.150 12.030 1.00 3.42 ATOM 763 N ALA 48 -8.575 -12.514 10.540 1.00 2.23 ATOM 764 HN ALA 48 -8.759 -12.203 9.627 1.00 37.07 ATOM 765 CA ALA 48 -9.688 -12.660 11.488 1.00 33.35 ATOM 766 HA ALA 48 -9.466 -12.047 12.352 1.00 11.24 ATOM 767 CB ALA 48 -10.985 -12.149 10.870 1.00 51.32 ATOM 768 HB1 ALA 48 -10.847 -11.132 10.532 1.00 41.25 ATOM 769 HB2 ALA 48 -11.775 -12.179 11.606 1.00 34.20 ATOM 770 HB3 ALA 48 -11.255 -12.773 10.030 1.00 64.35 ATOM 771 C ALA 48 -9.847 -14.120 11.947 1.00 21.22 ATOM 772 O ALA 48 -10.039 -14.393 13.132 1.00 64.11 ATOM 773 N GLU 49 -9.752 -15.056 11.003 1.00 53.54 ATOM 774 HN GLU 49 -9.633 -14.780 10.070 1.00 37.07 ATOM 775 CA GLU 49 -9.823 -16.488 11.320 1.00 15.01 ATOM 776 HA GLU 49 -10.732 -16.651 11.885 1.00 22.12 ATOM 777 CB GLU 49 -9.878 -17.339 10.037 1.00 0.33 ATOM 778 HB1 GLU 49 -9.765 -18.380 10.307 1.00 37.07 ATOM 779 HB2 GLU 49 -9.051 -17.057 9.399 1.00 34.32 ATOM 780 CG GLU 49 -11.170 -17.196 9.229 1.00 42.22 ATOM 781 HG1 GLU 49 -12.008 -17.410 9.879 1.00 37.07 ATOM 782 HG2 GLU 49 -11.155 -17.919 8.425 1.00 74.41 ATOM 783 CD GLU 49 -11.357 -15.811 8.628 1.00 72.54 ATOM 784 OE1 GLU 49 -12.043 -14.973 9.250 1.00 31.14 ATOM 785 OE2 GLU 49 -10.814 -15.551 7.535 1.00 30.50 ATOM 786 C GLU 49 -8.628 -16.920 12.184 1.00 24.10 ATOM 787 O GLU 49 -8.770 -17.734 13.095 1.00 12.33 ATOM 788 N VAL 50 -7.452 -16.364 11.893 1.00 41.02 ATOM 789 HN VAL 50 -7.392 -15.758 11.123 1.00 37.07 ATOM 790 CA VAL 50 -6.245 -16.639 12.684 1.00 3.55 ATOM 791 HA VAL 50 -6.086 -17.709 12.684 1.00 55.52 ATOM 792 CB VAL 50 -4.995 -15.961 12.066 1.00 42.14 ATOM 793 HB VAL 50 -5.141 -14.889 12.099 1.00 4.02 ATOM 794 CG1 VAL 50 -3.740 -16.293 12.871 1.00 2.03 ATOM 795 HG11 VAL 50 -3.597 -17.365 12.894 1.00 34.21 ATOM 796 HG12 VAL 50 -3.848 -15.924 13.881 1.00 53.11 ATOM 797 HG13 VAL 50 -2.881 -15.827 12.410 1.00 72.43 ATOM 798 CG2 VAL 50 -4.824 -16.371 10.603 1.00 41.11 ATOM 799 HG21 VAL 50 -5.713 -16.109 10.048 1.00 54.33 ATOM 800 HG22 VAL 50 -4.665 -17.438 10.542 1.00 14.25 ATOM 801 HG23 VAL 50 -3.973 -15.857 10.180 1.00 62.11 ATOM 802 C VAL 50 -6.419 -16.163 14.137 1.00 13.23 ATOM 803 O VAL 50 -6.071 -16.873 15.085 1.00 43.31 ATOM 804 N LYS 51 -6.955 -14.953 14.304 1.00 65.02 ATOM 805 HN LYS 51 -7.112 -14.388 13.516 1.00 37.07 ATOM 806 CA LYS 51 -7.310 -14.445 15.634 1.00 12.10 ATOM 807 HA LYS 51 -6.412 -14.427 16.237 1.00 3.55 ATOM 808 CB LYS 51 -7.879 -13.022 15.535 1.00 0.22 ATOM 809 HB1 LYS 51 -8.776 -13.046 14.931 1.00 37.07 ATOM 810 HB2 LYS 51 -7.149 -12.389 15.051 1.00 22.44 ATOM 811 CG LYS 51 -8.227 -12.403 16.891 1.00 22.33 ATOM 812 HG1 LYS 51 -7.309 -12.158 17.409 1.00 37.07 ATOM 813 HG2 LYS 51 -8.784 -13.123 17.473 1.00 72.35 ATOM 814 CD LYS 51 -9.068 -11.136 16.746 1.00 71.42 ATOM 815 HD1 LYS 51 -9.285 -10.748 17.733 1.00 37.07 ATOM 816 HD2 LYS 51 -9.995 -11.387 16.250 1.00 71.05 ATOM 817 CE LYS 51 -8.358 -10.056 15.936 1.00 12.14 ATOM 818 HE1 LYS 51 -8.076 -10.465 14.976 1.00 37.07 ATOM 819 HE2 LYS 51 -7.472 -9.745 16.470 1.00 21.20 ATOM 820 NZ LYS 51 -9.231 -8.874 15.719 1.00 11.24 ATOM 821 HZ1 LYS 51 -10.075 -9.149 15.179 1.00 22.44 ATOM 822 HZ2 LYS 51 -8.719 -8.142 15.189 1.00 44.23 ATOM 823 HZ3 LYS 51 -9.533 -8.478 16.633 1.00 4.23 ATOM 824 C LYS 51 -8.341 -15.368 16.299 1.00 23.14 ATOM 825 O LYS 51 -8.270 -15.648 17.499 1.00 4.22 ATOM 826 N GLY 52 -9.298 -15.834 15.499 1.00 62.10 ATOM 827 HN GLY 52 -9.332 -15.525 14.568 1.00 37.07 ATOM 828 CA GLY 52 -10.293 -16.781 15.979 1.00 70.23 ATOM 829 HA1 GLY 52 -10.947 -17.041 15.160 1.00 37.07 ATOM 830 HA2 GLY 52 -10.878 -16.309 16.755 1.00 73.42 ATOM 831 C GLY 52 -9.670 -18.057 16.534 1.00 14.11 ATOM 832 O GLY 52 -9.943 -18.436 17.667 1.00 64.52 ATOM 833 N VAL 53 -8.816 -18.707 15.741 1.00 14.02 ATOM 834 HN VAL 53 -8.655 -18.364 14.839 1.00 37.07 ATOM 835 CA VAL 53 -8.110 -19.920 16.177 1.00 4.41 ATOM 836 HA VAL 53 -8.848 -20.694 16.341 1.00 44.00 ATOM 837 CB VAL 53 -7.122 -20.416 15.086 1.00 33.52 ATOM 838 HB VAL 53 -6.431 -19.613 14.864 1.00 24.13 ATOM 839 CG1 VAL 53 -6.310 -21.615 15.579 1.00 23.32 ATOM 840 HG11 VAL 53 -5.737 -21.330 16.450 1.00 43.54 ATOM 841 HG12 VAL 53 -5.637 -21.941 14.800 1.00 15.24 ATOM 842 HG13 VAL 53 -6.979 -22.424 15.837 1.00 53.11 ATOM 843 CG2 VAL 53 -7.872 -20.766 13.800 1.00 42.43 ATOM 844 HG21 VAL 53 -7.167 -21.085 13.045 1.00 35.32 ATOM 845 HG22 VAL 53 -8.406 -19.897 13.445 1.00 63.11 ATOM 846 HG23 VAL 53 -8.574 -21.564 13.996 1.00 40.44 ATOM 847 C VAL 53 -7.343 -19.678 17.486 1.00 34.31 ATOM 848 O VAL 53 -7.439 -20.463 18.430 1.00 40.54 ATOM 849 N CYS 54 -6.596 -18.577 17.537 1.00 43.40 ATOM 850 HN CYS 54 -6.543 -18.004 16.739 1.00 37.07 ATOM 851 CA CYS 54 -5.843 -18.201 18.741 1.00 51.15 ATOM 852 HA CYS 54 -5.129 -18.988 18.940 1.00 32.13 ATOM 853 CB CYS 54 -5.081 -16.894 18.503 1.00 24.11 ATOM 854 HB1 CYS 54 -5.767 -16.148 18.127 1.00 37.07 ATOM 855 HB2 CYS 54 -4.307 -17.063 17.769 1.00 44.14 ATOM 856 SG CYS 54 -4.290 -16.220 19.983 1.00 24.24 ATOM 857 HG CYS 54 -4.525 -17.051 20.992 1.00 1.21 ATOM 858 C CYS 54 -6.754 -18.043 19.969 1.00 52.02 ATOM 859 O CYS 54 -6.411 -18.472 21.070 1.00 31.22 ATOM 860 N THR 55 -7.912 -17.418 19.772 1.00 43.42 ATOM 861 HN THR 55 -8.137 -17.105 18.870 1.00 37.07 ATOM 862 CA THR 55 -8.861 -17.182 20.867 1.00 23.14 ATOM 863 HA THR 55 -8.303 -16.797 21.711 1.00 71.52 ATOM 864 CB THR 55 -9.925 -16.128 20.469 1.00 40.21 ATOM 865 HB THR 55 -10.530 -16.534 19.669 1.00 54.54 ATOM 866 OG1 THR 55 -9.284 -14.925 20.002 1.00 25.13 ATOM 867 HG1 THR 55 -9.459 -14.816 19.056 1.00 30.15 ATOM 868 CG2 THR 55 -10.836 -15.795 21.646 1.00 62.42 ATOM 869 HG21 THR 55 -11.370 -16.684 21.953 1.00 60.12 ATOM 870 HG22 THR 55 -11.545 -15.037 21.349 1.00 0.41 ATOM 871 HG23 THR 55 -10.243 -15.428 22.472 1.00 73.31 ATOM 872 C THR 55 -9.572 -18.478 21.291 1.00 4.22 ATOM 873 O THR 55 -9.682 -18.778 22.483 1.00 31.42 ATOM 874 N GLU 56 -10.045 -19.245 20.309 1.00 51.24 ATOM 875 HN GLU 56 -9.931 -18.954 19.384 1.00 37.07 ATOM 876 CA GLU 56 -10.734 -20.513 20.575 1.00 63.52 ATOM 877 HA GLU 56 -11.563 -20.298 21.236 1.00 74.45 ATOM 878 CB GLU 56 -11.288 -21.120 19.274 1.00 0.12 ATOM 879 HB1 GLU 56 -11.787 -22.049 19.509 1.00 37.07 ATOM 880 HB2 GLU 56 -10.462 -21.328 18.607 1.00 14.03 ATOM 881 CG GLU 56 -12.279 -20.220 18.535 1.00 23.20 ATOM 882 HG1 GLU 56 -12.567 -20.708 17.612 1.00 37.07 ATOM 883 HG2 GLU 56 -11.790 -19.285 18.301 1.00 62.33 ATOM 884 CD GLU 56 -13.539 -19.917 19.339 1.00 15.34 ATOM 885 OE1 GLU 56 -14.552 -20.628 19.161 1.00 71.12 ATOM 886 OE2 GLU 56 -13.529 -18.958 20.140 1.00 21.00 ATOM 887 C GLU 56 -9.804 -21.513 21.276 1.00 71.01 ATOM 888 O GLU 56 -10.239 -22.275 22.139 1.00 44.23 ATOM 889 N ALA 57 -8.520 -21.494 20.910 1.00 64.43 ATOM 890 HN ALA 57 -8.244 -20.912 20.170 1.00 37.07 ATOM 891 CA ALA 57 -7.510 -22.327 21.578 1.00 61.31 ATOM 892 HA ALA 57 -7.744 -23.364 21.372 1.00 44.33 ATOM 893 CB ALA 57 -6.126 -22.031 21.009 1.00 54.53 ATOM 894 HB1 ALA 57 -5.394 -22.670 21.483 1.00 22.11 ATOM 895 HB2 ALA 57 -5.874 -20.996 21.193 1.00 24.42 ATOM 896 HB3 ALA 57 -6.128 -22.216 19.945 1.00 2.02 ATOM 897 C ALA 57 -7.528 -22.106 23.098 1.00 41.31 ATOM 898 O ALA 57 -7.548 -23.057 23.880 1.00 0.10 ATOM 899 N GLY 58 -7.551 -20.840 23.507 1.00 63.31 ATOM 900 HN GLY 58 -7.495 -20.122 22.841 1.00 37.07 ATOM 901 CA GLY 58 -7.659 -20.511 24.923 1.00 45.15 ATOM 902 HA1 GLY 58 -7.589 -19.440 25.037 1.00 37.07 ATOM 903 HA2 GLY 58 -6.835 -20.972 25.452 1.00 42.15 ATOM 904 C GLY 58 -8.975 -20.994 25.539 1.00 23.34 ATOM 905 O GLY 58 -9.027 -21.357 26.715 1.00 72.22 ATOM 906 N MET 59 -10.042 -21.010 24.736 1.00 34.44 ATOM 907 HN MET 59 -9.950 -20.670 23.819 1.00 37.07 ATOM 908 CA MET 59 -11.344 -21.527 25.184 1.00 0.22 ATOM 909 HA MET 59 -11.619 -20.992 26.080 1.00 4.21 ATOM 910 CB MET 59 -12.422 -21.295 24.110 1.00 22.43 ATOM 911 HB1 MET 59 -13.374 -21.623 24.505 1.00 37.07 ATOM 912 HB2 MET 59 -12.183 -21.895 23.243 1.00 14.32 ATOM 913 CG MET 59 -12.575 -19.842 23.656 1.00 51.13 ATOM 914 HG1 MET 59 -12.915 -19.836 22.629 1.00 37.07 ATOM 915 HG2 MET 59 -11.610 -19.362 23.710 1.00 63.34 ATOM 916 SD MET 59 -13.743 -18.882 24.650 1.00 24.41 ATOM 917 CE MET 59 -12.883 -18.741 26.215 1.00 42.52 ATOM 918 HE1 MET 59 -13.462 -18.125 26.887 1.00 31.22 ATOM 919 HE2 MET 59 -11.913 -18.291 26.058 1.00 30.52 ATOM 920 HE3 MET 59 -12.760 -19.723 26.645 1.00 63.41 ATOM 921 C MET 59 -11.247 -23.027 25.516 1.00 33.53 ATOM 922 O MET 59 -11.844 -23.501 26.490 1.00 53.35 ATOM 923 N TYR 60 -10.488 -23.767 24.701 1.00 33.34 ATOM 924 HN TYR 60 -10.090 -23.344 23.909 1.00 37.07 ATOM 925 CA TYR 60 -10.231 -25.191 24.953 1.00 73.01 ATOM 926 HA TYR 60 -11.188 -25.670 25.106 1.00 55.13 ATOM 927 CB TYR 60 -9.541 -25.848 23.749 1.00 1.35 ATOM 928 HB1 TYR 60 -9.179 -26.826 24.036 1.00 37.07 ATOM 929 HB2 TYR 60 -8.701 -25.238 23.447 1.00 37.07 ATOM 930 CG TYR 60 -10.446 -26.025 22.545 1.00 31.41 ATOM 931 CD1 TYR 60 -10.373 -25.162 21.458 1.00 51.22 ATOM 932 HD1 TYR 60 -9.657 -24.353 21.477 1.00 15.30 ATOM 933 CD2 TYR 60 -11.376 -27.058 22.499 1.00 54.55 ATOM 934 HD2 TYR 60 -11.450 -27.737 23.337 1.00 64.35 ATOM 935 CE1 TYR 60 -11.193 -25.326 20.360 1.00 45.13 ATOM 936 HE1 TYR 60 -11.119 -24.643 19.525 1.00 40.54 ATOM 937 CE2 TYR 60 -12.201 -27.228 21.404 1.00 14.20 ATOM 938 HE2 TYR 60 -12.915 -28.039 21.386 1.00 73.33 ATOM 939 CZ TYR 60 -12.107 -26.358 20.338 1.00 22.24 ATOM 940 OH TYR 60 -12.923 -26.528 19.242 1.00 64.01 ATOM 941 HH TYR 60 -12.395 -26.471 18.435 1.00 63.55 ATOM 942 C TYR 60 -9.385 -25.382 26.220 1.00 61.44 ATOM 943 O TYR 60 -9.663 -26.263 27.040 1.00 42.00 ATOM 944 N ALA 61 -8.359 -24.548 26.379 1.00 61.10 ATOM 945 HN ALA 61 -8.140 -23.921 25.657 1.00 37.07 ATOM 946 CA ALA 61 -7.523 -24.569 27.583 1.00 24.42 ATOM 947 HA ALA 61 -7.012 -25.522 27.612 1.00 65.12 ATOM 948 CB ALA 61 -6.466 -23.471 27.514 1.00 34.11 ATOM 949 HB1 ALA 61 -5.816 -23.539 28.376 1.00 64.14 ATOM 950 HB2 ALA 61 -6.947 -22.503 27.502 1.00 72.53 ATOM 951 HB3 ALA 61 -5.880 -23.591 26.614 1.00 41.24 ATOM 952 C ALA 61 -8.367 -24.423 28.859 1.00 44.31 ATOM 953 O ALA 61 -8.112 -25.088 29.862 1.00 60.22 ATOM 954 N LEU 62 -9.382 -23.559 28.811 1.00 71.13 ATOM 955 HN LEU 62 -9.525 -23.040 27.990 1.00 37.07 ATOM 956 CA LEU 62 -10.276 -23.349 29.957 1.00 50.24 ATOM 957 HA LEU 62 -9.653 -23.173 30.824 1.00 51.23 ATOM 958 CB LEU 62 -11.158 -22.113 29.730 1.00 1.43 ATOM 959 HB1 LEU 62 -11.868 -22.047 30.544 1.00 37.07 ATOM 960 HB2 LEU 62 -11.708 -22.254 28.809 1.00 25.52 ATOM 961 CG LEU 62 -10.405 -20.774 29.642 1.00 71.11 ATOM 962 HG LEU 62 -9.726 -20.808 28.801 1.00 5.23 ATOM 963 CD1 LEU 62 -11.377 -19.621 29.407 1.00 43.14 ATOM 964 HD11 LEU 62 -12.072 -19.556 30.233 1.00 64.51 ATOM 965 HD12 LEU 62 -11.924 -19.793 28.491 1.00 30.02 ATOM 966 HD13 LEU 62 -10.827 -18.695 29.325 1.00 75.13 ATOM 967 CD2 LEU 62 -9.578 -20.532 30.903 1.00 63.40 ATOM 968 HD21 LEU 62 -9.049 -19.594 30.814 1.00 61.22 ATOM 969 HD22 LEU 62 -8.865 -21.333 31.026 1.00 4.03 ATOM 970 HD23 LEU 62 -10.230 -20.496 31.764 1.00 74.31 ATOM 971 C LEU 62 -11.158 -24.582 30.237 1.00 61.41 ATOM 972 O LEU 62 -11.242 -25.041 31.375 1.00 71.55 ATOM 973 N ARG 63 -11.812 -25.121 29.201 1.00 74.45 ATOM 974 HN ARG 63 -11.692 -24.737 28.306 1.00 37.07 ATOM 975 CA ARG 63 -12.716 -26.273 29.383 1.00 54.33 ATOM 976 HA ARG 63 -13.430 -25.997 30.148 1.00 35.35 ATOM 977 CB ARG 63 -13.489 -26.590 28.092 1.00 75.32 ATOM 978 HB1 ARG 63 -14.116 -25.743 27.847 1.00 37.07 ATOM 979 HB2 ARG 63 -14.120 -27.449 28.267 1.00 32.02 ATOM 980 CG ARG 63 -12.604 -26.890 26.889 1.00 72.02 ATOM 981 HG1 ARG 63 -11.895 -27.661 27.160 1.00 37.07 ATOM 982 HG2 ARG 63 -12.068 -25.992 26.621 1.00 35.52 ATOM 983 CD ARG 63 -13.412 -27.360 25.684 1.00 71.02 ATOM 984 HD1 ARG 63 -12.790 -27.287 24.803 1.00 37.07 ATOM 985 HD2 ARG 63 -14.271 -26.714 25.568 1.00 14.42 ATOM 986 NE ARG 63 -13.870 -28.744 25.825 1.00 34.43 ATOM 987 HE ARG 63 -13.198 -29.425 26.034 1.00 0.44 ATOM 988 CZ ARG 63 -15.102 -29.138 25.646 1.00 33.41 ATOM 989 NH1 ARG 63 -16.049 -28.281 25.434 1.00 1.04 ATOM 990 HH11 ARG 63 -15.844 -27.306 25.408 1.00 64.41 ATOM 991 HH12 ARG 63 -16.987 -28.599 25.308 1.00 43.24 ATOM 992 NH2 ARG 63 -15.384 -30.397 25.705 1.00 55.14 ATOM 993 HH21 ARG 63 -14.657 -31.060 25.891 1.00 50.13 ATOM 994 HH22 ARG 63 -16.320 -30.708 25.561 1.00 31.10 ATOM 995 C ARG 63 -11.970 -27.527 29.863 1.00 71.11 ATOM 996 O ARG 63 -12.534 -28.350 30.583 1.00 4.52 ATOM 997 N GLU 64 -10.709 -27.681 29.456 1.00 61.24 ATOM 998 HN GLU 64 -10.322 -27.028 28.831 1.00 37.07 ATOM 999 CA GLU 64 -9.893 -28.814 29.910 1.00 62.04 ATOM 1000 HA GLU 64 -10.572 -29.571 30.283 1.00 44.12 ATOM 1001 CB GLU 64 -9.099 -29.414 28.736 1.00 50.33 ATOM 1002 HB1 GLU 64 -8.509 -30.243 29.102 1.00 37.07 ATOM 1003 HB2 GLU 64 -8.434 -28.659 28.338 1.00 5.10 ATOM 1004 CG GLU 64 -9.992 -29.922 27.601 1.00 43.11 ATOM 1005 HG1 GLU 64 -10.352 -29.068 27.044 1.00 37.07 ATOM 1006 HG2 GLU 64 -10.835 -30.443 28.031 1.00 31.04 ATOM 1007 CD GLU 64 -9.283 -30.868 26.639 1.00 15.54 ATOM 1008 OE1 GLU 64 -9.127 -30.525 25.446 1.00 42.13 ATOM 1009 OE2 GLU 64 -8.889 -31.975 27.074 1.00 11.43 ATOM 1010 C GLU 64 -8.956 -28.411 31.064 1.00 25.03 ATOM 1011 O GLU 64 -8.181 -29.231 31.557 1.00 34.22 ATOM 1012 N ARG 65 -9.054 -27.147 31.497 1.00 2.15 ATOM 1013 HN ARG 65 -9.661 -26.538 31.027 1.00 37.07 ATOM 1014 CA ARG 65 -8.288 -26.629 32.647 1.00 21.11 ATOM 1015 HA ARG 65 -8.483 -25.567 32.697 1.00 42.25 ATOM 1016 CB ARG 65 -8.772 -27.270 33.966 1.00 62.01 ATOM 1017 HB1 ARG 65 -8.086 -26.996 34.757 1.00 37.07 ATOM 1018 HB2 ARG 65 -8.765 -28.345 33.856 1.00 54.33 ATOM 1019 CG ARG 65 -10.181 -26.839 34.387 1.00 23.01 ATOM 1020 HG1 ARG 65 -10.249 -25.761 34.321 1.00 37.07 ATOM 1021 HG2 ARG 65 -10.347 -27.144 35.410 1.00 64.03 ATOM 1022 CD ARG 65 -11.269 -27.457 33.510 1.00 64.54 ATOM 1023 HD1 ARG 65 -11.364 -28.505 33.761 1.00 37.07 ATOM 1024 HD2 ARG 65 -10.976 -27.363 32.473 1.00 11.20 ATOM 1025 NE ARG 65 -12.566 -26.800 33.692 1.00 11.52 ATOM 1026 HE ARG 65 -12.561 -25.854 33.929 1.00 4.25 ATOM 1027 CZ ARG 65 -13.721 -27.390 33.531 1.00 23.30 ATOM 1028 NH1 ARG 65 -13.787 -28.647 33.231 1.00 74.44 ATOM 1029 HH11 ARG 65 -12.949 -29.178 33.121 1.00 52.24 ATOM 1030 HH12 ARG 65 -14.674 -29.086 33.108 1.00 72.31 ATOM 1031 NH2 ARG 65 -14.815 -26.713 33.669 1.00 34.54 ATOM 1032 HH21 ARG 65 -14.777 -25.742 33.897 1.00 22.41 ATOM 1033 HH22 ARG 65 -15.698 -27.163 33.547 1.00 31.34 ATOM 1034 C ARG 65 -6.767 -26.819 32.475 1.00 33.31 ATOM 1035 O ARG 65 -6.047 -27.116 33.435 1.00 21.44 ATOM 1036 N ARG 66 -6.286 -26.610 31.254 1.00 41.13 ATOM 1037 HN ARG 66 -6.910 -26.367 30.538 1.00 37.07 ATOM 1038 CA ARG 66 -4.859 -26.720 30.943 1.00 51.55 ATOM 1039 HA ARG 66 -4.491 -27.631 31.396 1.00 65.14 ATOM 1040 CB ARG 66 -4.651 -26.805 29.424 1.00 31.43 ATOM 1041 HB1 ARG 66 -3.594 -26.713 29.210 1.00 37.07 ATOM 1042 HB2 ARG 66 -5.174 -25.981 28.956 1.00 34.22 ATOM 1043 CG ARG 66 -5.152 -28.102 28.802 1.00 63.23 ATOM 1044 HG1 ARG 66 -6.209 -28.205 29.008 1.00 37.07 ATOM 1045 HG2 ARG 66 -4.616 -28.931 29.244 1.00 54.22 ATOM 1046 CD ARG 66 -4.937 -28.129 27.292 1.00 23.11 ATOM 1047 HD1 ARG 66 -3.909 -27.869 27.081 1.00 37.07 ATOM 1048 HD2 ARG 66 -5.592 -27.401 26.832 1.00 52.35 ATOM 1049 NE ARG 66 -5.216 -29.449 26.731 1.00 12.32 ATOM 1050 HE ARG 66 -4.666 -30.193 27.041 1.00 74.12 ATOM 1051 CZ ARG 66 -6.157 -29.701 25.863 1.00 3.45 ATOM 1052 NH1 ARG 66 -6.889 -28.752 25.378 1.00 35.44 ATOM 1053 HH11 ARG 66 -6.733 -27.801 25.657 1.00 51.42 ATOM 1054 HH12 ARG 66 -7.617 -28.969 24.736 1.00 2.52 ATOM 1055 NH2 ARG 66 -6.348 -30.910 25.454 1.00 42.10 ATOM 1056 HH21 ARG 66 -5.775 -31.648 25.795 1.00 37.07 ATOM 1057 HH22 ARG 66 -7.083 -31.099 24.809 1.00 52.43 ATOM 1058 C ARG 66 -4.061 -25.533 31.499 1.00 14.44 ATOM 1059 O ARG 66 -4.377 -24.375 31.224 1.00 51.33 ATOM 1060 N VAL 67 -3.030 -25.828 32.287 1.00 32.04 ATOM 1061 HN VAL 67 -2.901 -26.757 32.578 1.00 37.07 ATOM 1062 CA VAL 67 -2.098 -24.794 32.750 1.00 75.04 ATOM 1063 HA VAL 67 -2.681 -23.959 33.119 1.00 15.11 ATOM 1064 CB VAL 67 -1.200 -25.315 33.901 1.00 75.32 ATOM 1065 HB VAL 67 -0.595 -26.127 33.516 1.00 42.31 ATOM 1066 CG1 VAL 67 -0.256 -24.221 34.403 1.00 53.13 ATOM 1067 HG11 VAL 67 0.369 -24.617 35.192 1.00 64.23 ATOM 1068 HG12 VAL 67 -0.833 -23.391 34.786 1.00 12.31 ATOM 1069 HG13 VAL 67 0.368 -23.880 33.589 1.00 14.53 ATOM 1070 CG2 VAL 67 -2.055 -25.863 35.045 1.00 65.23 ATOM 1071 HG21 VAL 67 -2.676 -26.669 34.679 1.00 3.11 ATOM 1072 HG22 VAL 67 -2.683 -25.077 35.439 1.00 20.25 ATOM 1073 HG23 VAL 67 -1.412 -26.235 35.830 1.00 22.05 ATOM 1074 C VAL 67 -1.217 -24.310 31.584 1.00 34.12 ATOM 1075 O VAL 67 -0.831 -23.142 31.510 1.00 53.33 ATOM 1076 N HIS 68 -0.911 -25.228 30.670 1.00 64.30 ATOM 1077 HN HIS 68 -1.208 -26.149 30.812 1.00 37.07 ATOM 1078 CA HIS 68 -0.154 -24.906 29.457 1.00 35.13 ATOM 1079 HA HIS 68 0.050 -23.843 29.462 1.00 50.21 ATOM 1080 CB HIS 68 1.184 -25.668 29.443 1.00 12.15 ATOM 1081 HB1 HIS 68 1.758 -25.383 30.314 1.00 37.07 ATOM 1082 HB2 HIS 68 1.735 -25.394 28.556 1.00 4.23 ATOM 1083 CG HIS 68 1.048 -27.168 29.452 1.00 64.54 ATOM 1084 ND1 HIS 68 1.059 -27.920 30.607 1.00 75.32 ATOM 1085 HD1 HIS 68 1.146 -27.570 31.523 1.00 11.43 ATOM 1086 CD2 HIS 68 0.915 -28.058 28.437 1.00 0.23 ATOM 1087 HD2 HIS 68 0.859 -27.824 27.383 1.00 1.31 ATOM 1088 CE1 HIS 68 0.942 -29.197 30.305 1.00 24.41 ATOM 1089 HE1 HIS 68 0.921 -30.013 31.011 1.00 52.51 ATOM 1090 NE2 HIS 68 0.853 -29.310 28.997 1.00 73.14 ATOM 1091 HE2 HIS 68 0.913 -30.158 28.502 1.00 37.07 ATOM 1092 C HIS 68 -0.975 -25.243 28.201 1.00 14.32 ATOM 1093 O HIS 68 -1.524 -26.339 28.090 1.00 21.15 ATOM 1094 N VAL 69 -1.066 -24.299 27.269 1.00 71.40 ATOM 1095 HN VAL 69 -0.649 -23.427 27.429 1.00 37.07 ATOM 1096 CA VAL 69 -1.776 -24.527 26.005 1.00 20.31 ATOM 1097 HA VAL 69 -2.757 -24.920 26.242 1.00 13.12 ATOM 1098 CB VAL 69 -1.958 -23.207 25.212 1.00 34.55 ATOM 1099 HB VAL 69 -0.979 -22.850 24.920 1.00 24.13 ATOM 1100 CG1 VAL 69 -2.776 -23.442 23.942 1.00 34.43 ATOM 1101 HG11 VAL 69 -3.755 -23.815 24.206 1.00 61.42 ATOM 1102 HG12 VAL 69 -2.274 -24.165 23.316 1.00 44.23 ATOM 1103 HG13 VAL 69 -2.880 -22.511 23.401 1.00 12.03 ATOM 1104 CG2 VAL 69 -2.612 -22.135 26.083 1.00 41.13 ATOM 1105 HG21 VAL 69 -3.595 -22.467 26.391 1.00 63.11 ATOM 1106 HG22 VAL 69 -2.705 -21.218 25.519 1.00 34.12 ATOM 1107 HG23 VAL 69 -2.002 -21.957 26.957 1.00 13.00 ATOM 1108 C VAL 69 -1.025 -25.550 25.136 1.00 1.43 ATOM 1109 O VAL 69 0.189 -25.437 24.931 1.00 53.54 ATOM 1110 N THR 70 -1.745 -26.551 24.636 1.00 13.20 ATOM 1111 HN THR 70 -2.719 -26.545 24.761 1.00 37.07 ATOM 1112 CA THR 70 -1.129 -27.652 23.881 1.00 24.24 ATOM 1113 HA THR 70 -0.059 -27.605 24.028 1.00 64.35 ATOM 1114 CB THR 70 -1.622 -29.035 24.381 1.00 23.33 ATOM 1115 HB THR 70 -1.013 -29.802 23.922 1.00 64.31 ATOM 1116 OG1 THR 70 -2.990 -29.251 23.998 1.00 2.41 ATOM 1117 HG1 THR 70 -3.550 -28.565 24.385 1.00 12.20 ATOM 1118 CG2 THR 70 -1.489 -29.157 25.897 1.00 73.03 ATOM 1119 HG21 THR 70 -0.451 -29.047 26.179 1.00 13.54 ATOM 1120 HG22 THR 70 -1.846 -30.127 26.213 1.00 25.24 ATOM 1121 HG23 THR 70 -2.075 -28.385 26.375 1.00 14.10 ATOM 1122 C THR 70 -1.425 -27.555 22.380 1.00 24.12 ATOM 1123 O THR 70 -2.153 -26.670 21.926 1.00 34.40 ATOM 1124 N GLN 71 -0.849 -28.481 21.617 1.00 70.40 ATOM 1125 HN GLN 71 -0.220 -29.110 22.031 1.00 37.07 ATOM 1126 CA GLN 71 -1.110 -28.588 20.178 1.00 51.24 ATOM 1127 HA GLN 71 -0.842 -27.645 19.718 1.00 24.11 ATOM 1128 CB GLN 71 -0.238 -29.709 19.585 1.00 13.25 ATOM 1129 HB1 GLN 71 -0.582 -30.656 19.977 1.00 37.07 ATOM 1130 HB2 GLN 71 0.784 -29.556 19.900 1.00 3.31 ATOM 1131 CG GLN 71 -0.251 -29.794 18.060 1.00 22.34 ATOM 1132 HG1 GLN 71 -1.277 -29.791 17.720 1.00 37.07 ATOM 1133 HG2 GLN 71 0.220 -30.720 17.762 1.00 25.43 ATOM 1134 CD GLN 71 0.486 -28.643 17.391 1.00 73.41 ATOM 1135 OE1 GLN 71 0.530 -27.529 17.896 1.00 10.21 ATOM 1136 NE2 GLN 71 1.094 -28.911 16.257 1.00 63.52 ATOM 1137 HE21 GLN 71 1.046 -29.823 15.908 1.00 12.23 ATOM 1138 HE22 GLN 71 1.569 -28.182 15.810 1.00 4.12 ATOM 1139 C GLN 71 -2.601 -28.880 19.910 1.00 62.21 ATOM 1140 O GLN 71 -3.155 -28.476 18.884 1.00 33.13 ATOM 1141 N GLU 72 -3.243 -29.573 20.861 1.00 35.02 ATOM 1142 HN GLU 72 -2.750 -29.827 21.671 1.00 37.07 ATOM 1143 CA GLU 72 -4.659 -29.954 20.748 1.00 33.41 ATOM 1144 HA GLU 72 -4.769 -30.553 19.855 1.00 34.02 ATOM 1145 CB GLU 72 -5.080 -30.794 21.966 1.00 22.52 ATOM 1146 HB1 GLU 72 -6.144 -30.976 21.914 1.00 37.07 ATOM 1147 HB2 GLU 72 -4.867 -30.230 22.864 1.00 21.55 ATOM 1148 CG GLU 72 -4.370 -32.141 22.071 1.00 14.20 ATOM 1149 HG1 GLU 72 -3.302 -31.972 22.043 1.00 37.07 ATOM 1150 HG2 GLU 72 -4.656 -32.752 21.228 1.00 22.11 ATOM 1151 CD GLU 72 -4.714 -32.891 23.350 1.00 34.13 ATOM 1152 OE1 GLU 72 -3.810 -33.103 24.186 1.00 23.41 ATOM 1153 OE2 GLU 72 -5.895 -33.268 23.530 1.00 23.43 ATOM 1154 C GLU 72 -5.573 -28.725 20.637 1.00 32.14 ATOM 1155 O GLU 72 -6.450 -28.668 19.773 1.00 70.50 ATOM 1156 N ASP 73 -5.357 -27.744 21.512 1.00 43.24 ATOM 1157 HN ASP 73 -4.614 -27.830 22.151 1.00 37.07 ATOM 1158 CA ASP 73 -6.192 -26.539 21.558 1.00 15.54 ATOM 1159 HA ASP 73 -7.198 -26.847 21.810 1.00 23.04 ATOM 1160 CB ASP 73 -5.678 -25.593 22.647 1.00 32.44 ATOM 1161 HB1 ASP 73 -6.361 -24.759 22.744 1.00 37.07 ATOM 1162 HB2 ASP 73 -4.703 -25.219 22.365 1.00 44.10 ATOM 1163 CG ASP 73 -5.560 -26.281 23.997 1.00 60.12 ATOM 1164 OD1 ASP 73 -6.500 -26.182 24.810 1.00 43.54 ATOM 1165 OD2 ASP 73 -4.527 -26.934 24.244 1.00 33.43 ATOM 1166 C ASP 73 -6.221 -25.811 20.203 1.00 44.42 ATOM 1167 O ASP 73 -7.291 -25.484 19.684 1.00 21.51 ATOM 1168 N PHE 74 -5.041 -25.574 19.632 1.00 63.42 ATOM 1169 HN PHE 74 -4.226 -25.889 20.080 1.00 37.07 ATOM 1170 CA PHE 74 -4.924 -24.854 18.357 1.00 60.23 ATOM 1171 HA PHE 74 -5.439 -23.910 18.475 1.00 73.01 ATOM 1172 CB PHE 74 -3.452 -24.563 18.032 1.00 73.03 ATOM 1173 HB1 PHE 74 -3.370 -24.273 16.992 1.00 37.07 ATOM 1174 HB2 PHE 74 -2.872 -25.462 18.190 1.00 70.41 ATOM 1175 CG PHE 74 -2.848 -23.464 18.872 1.00 21.12 ATOM 1176 CD1 PHE 74 -2.098 -23.758 20.003 1.00 72.30 ATOM 1177 HD1 PHE 74 -1.949 -24.790 20.288 1.00 45.22 ATOM 1178 CD2 PHE 74 -3.025 -22.130 18.521 1.00 52.33 ATOM 1179 HD2 PHE 74 -3.607 -21.885 17.644 1.00 15.34 ATOM 1180 CE1 PHE 74 -1.544 -22.746 20.767 1.00 55.03 ATOM 1181 HE1 PHE 74 -0.963 -22.987 21.646 1.00 4.15 ATOM 1182 CE2 PHE 74 -2.474 -21.118 19.283 1.00 32.42 ATOM 1183 HE2 PHE 74 -2.621 -20.086 18.998 1.00 11.40 ATOM 1184 CZ PHE 74 -1.730 -21.426 20.404 1.00 12.22 ATOM 1185 HZ PHE 74 -1.296 -20.636 21.000 1.00 63.31 ATOM 1186 C PHE 74 -5.585 -25.611 17.189 1.00 73.33 ATOM 1187 O PHE 74 -6.387 -25.036 16.453 1.00 42.24 ATOM 1188 N GLU 75 -5.262 -26.897 17.018 1.00 42.33 ATOM 1189 HN GLU 75 -4.647 -27.328 17.652 1.00 37.07 ATOM 1190 CA GLU 75 -5.815 -27.674 15.896 1.00 63.31 ATOM 1191 HA GLU 75 -5.624 -27.102 14.997 1.00 55.33 ATOM 1192 CB GLU 75 -5.119 -29.040 15.754 1.00 51.35 ATOM 1193 HB1 GLU 75 -4.059 -28.872 15.619 1.00 37.07 ATOM 1194 HB2 GLU 75 -5.504 -29.534 14.873 1.00 72.10 ATOM 1195 CG GLU 75 -5.301 -29.981 16.939 1.00 24.42 ATOM 1196 HG1 GLU 75 -6.359 -30.113 17.119 1.00 37.07 ATOM 1197 HG2 GLU 75 -4.843 -29.536 17.812 1.00 34.23 ATOM 1198 CD GLU 75 -4.672 -31.345 16.697 1.00 62.21 ATOM 1199 OE1 GLU 75 -5.322 -32.200 16.061 1.00 43.14 ATOM 1200 OE2 GLU 75 -3.523 -31.571 17.128 1.00 75.10 ATOM 1201 C GLU 75 -7.339 -27.849 16.025 1.00 24.31 ATOM 1202 O GLU 75 -8.066 -27.761 15.033 1.00 73.33 ATOM 1203 N MET 76 -7.822 -28.077 17.247 1.00 41.10 ATOM 1204 HN MET 76 -7.196 -28.212 17.992 1.00 37.07 ATOM 1205 CA MET 76 -9.267 -28.140 17.503 1.00 73.14 ATOM 1206 HA MET 76 -9.693 -28.847 16.804 1.00 60.23 ATOM 1207 CB MET 76 -9.536 -28.632 18.930 1.00 12.24 ATOM 1208 HB1 MET 76 -10.570 -28.442 19.177 1.00 37.07 ATOM 1209 HB2 MET 76 -8.907 -28.080 19.614 1.00 3.25 ATOM 1210 CG MET 76 -9.262 -30.119 19.125 1.00 22.14 ATOM 1211 HG1 MET 76 -9.452 -30.374 20.158 1.00 37.07 ATOM 1212 HG2 MET 76 -8.225 -30.316 18.893 1.00 25.34 ATOM 1213 SD MET 76 -10.298 -31.158 18.073 1.00 73.22 ATOM 1214 CE MET 76 -11.934 -30.730 18.668 1.00 12.35 ATOM 1215 HE1 MET 76 -12.109 -29.674 18.517 1.00 1.12 ATOM 1216 HE2 MET 76 -12.006 -30.960 19.721 1.00 20.23 ATOM 1217 HE3 MET 76 -12.674 -31.298 18.125 1.00 50.40 ATOM 1218 C MET 76 -9.929 -26.771 17.278 1.00 32.31 ATOM 1219 O MET 76 -11.091 -26.685 16.871 1.00 54.20 ATOM 1220 N ALA 77 -9.186 -25.705 17.562 1.00 12.35 ATOM 1221 HN ALA 77 -8.312 -25.836 17.988 1.00 37.07 ATOM 1222 CA ALA 77 -9.640 -24.340 17.274 1.00 13.12 ATOM 1223 HA ALA 77 -10.600 -24.200 17.754 1.00 41.43 ATOM 1224 CB ALA 77 -8.665 -23.328 17.860 1.00 53.33 ATOM 1225 HB1 ALA 77 -7.702 -23.436 17.382 1.00 5.03 ATOM 1226 HB2 ALA 77 -8.560 -23.502 18.921 1.00 23.25 ATOM 1227 HB3 ALA 77 -9.039 -22.327 17.694 1.00 24.55 ATOM 1228 C ALA 77 -9.804 -24.121 15.762 1.00 13.25 ATOM 1229 O ALA 77 -10.782 -23.521 15.315 1.00 0.02 ATOM 1230 N VAL 78 -8.844 -24.621 14.980 1.00 12.52 ATOM 1231 HN VAL 78 -8.048 -25.014 15.400 1.00 37.07 ATOM 1232 CA VAL 78 -8.939 -24.589 13.514 1.00 53.23 ATOM 1233 HA VAL 78 -8.983 -23.553 13.207 1.00 50.12 ATOM 1234 CB VAL 78 -7.704 -25.247 12.842 1.00 10.04 ATOM 1235 HB VAL 78 -7.634 -26.271 13.190 1.00 44.30 ATOM 1236 CG1 VAL 78 -7.858 -25.273 11.320 1.00 23.43 ATOM 1237 HG11 VAL 78 -8.737 -25.841 11.056 1.00 54.53 ATOM 1238 HG12 VAL 78 -6.987 -25.733 10.876 1.00 73.11 ATOM 1239 HG13 VAL 78 -7.959 -24.263 10.951 1.00 4.03 ATOM 1240 CG2 VAL 78 -6.421 -24.523 13.240 1.00 44.32 ATOM 1241 HG21 VAL 78 -6.473 -23.492 12.919 1.00 4.11 ATOM 1242 HG22 VAL 78 -5.574 -25.003 12.769 1.00 12.21 ATOM 1243 HG23 VAL 78 -6.302 -24.559 14.314 1.00 74.12 ATOM 1244 C VAL 78 -10.209 -25.304 13.033 1.00 61.15 ATOM 1245 O VAL 78 -10.973 -24.769 12.227 1.00 64.41 ATOM 1246 N ALA 79 -10.427 -26.517 13.541 1.00 43.44 ATOM 1247 HN ALA 79 -9.750 -26.911 14.135 1.00 37.07 ATOM 1248 CA ALA 79 -11.635 -27.287 13.232 1.00 32.15 ATOM 1249 HA ALA 79 -11.659 -27.453 12.162 1.00 52.01 ATOM 1250 CB ALA 79 -11.581 -28.645 13.923 1.00 14.34 ATOM 1251 HB1 ALA 79 -12.461 -29.217 13.667 1.00 74.23 ATOM 1252 HB2 ALA 79 -11.543 -28.504 14.993 1.00 72.43 ATOM 1253 HB3 ALA 79 -10.699 -29.180 13.601 1.00 31.13 ATOM 1254 C ALA 79 -12.907 -26.527 13.647 1.00 1.32 ATOM 1255 O ALA 79 -13.924 -26.569 12.955 1.00 34.34 ATOM 1256 N LYS 80 -12.838 -25.833 14.781 1.00 5.43 ATOM 1257 HN LYS 80 -12.012 -25.868 15.307 1.00 37.07 ATOM 1258 CA LYS 80 -13.963 -25.030 15.274 1.00 33.20 ATOM 1259 HA LYS 80 -14.825 -25.680 15.343 1.00 71.33 ATOM 1260 CB LYS 80 -13.643 -24.485 16.677 1.00 32.34 ATOM 1261 HB1 LYS 80 -12.746 -23.883 16.619 1.00 37.07 ATOM 1262 HB2 LYS 80 -13.458 -25.319 17.339 1.00 65.43 ATOM 1263 CG LYS 80 -14.752 -23.630 17.289 1.00 11.42 ATOM 1264 HG1 LYS 80 -14.960 -22.801 16.625 1.00 37.07 ATOM 1265 HG2 LYS 80 -14.411 -23.247 18.240 1.00 41.33 ATOM 1266 CD LYS 80 -16.041 -24.422 17.511 1.00 33.11 ATOM 1267 HD1 LYS 80 -16.351 -24.860 16.570 1.00 37.07 ATOM 1268 HD2 LYS 80 -16.808 -23.747 17.861 1.00 22.34 ATOM 1269 CE LYS 80 -15.864 -25.535 18.540 1.00 4.34 ATOM 1270 HE1 LYS 80 -15.562 -25.095 19.480 1.00 37.07 ATOM 1271 HE2 LYS 80 -15.093 -26.210 18.196 1.00 3.14 ATOM 1272 NZ LYS 80 -17.124 -26.299 18.745 1.00 12.11 ATOM 1273 HZ1 LYS 80 -16.978 -27.052 19.451 1.00 73.43 ATOM 1274 HZ2 LYS 80 -17.426 -26.736 17.851 1.00 53.21 ATOM 1275 HZ3 LYS 80 -17.878 -25.666 19.079 1.00 1.33 ATOM 1276 C LYS 80 -14.296 -23.869 14.318 1.00 62.42 ATOM 1277 O LYS 80 -15.444 -23.702 13.907 1.00 5.41 ATOM 1278 N VAL 81 -13.284 -23.076 13.965 1.00 5.11 ATOM 1279 HN VAL 81 -12.385 -23.276 14.304 1.00 37.07 ATOM 1280 CA VAL 81 -13.476 -21.908 13.089 1.00 44.11 ATOM 1281 HA VAL 81 -14.310 -21.341 13.479 1.00 21.51 ATOM 1282 CB VAL 81 -12.226 -20.987 13.095 1.00 24.23 ATOM 1283 HB VAL 81 -11.389 -21.552 12.700 1.00 5.11 ATOM 1284 CG1 VAL 81 -12.436 -19.765 12.197 1.00 4.13 ATOM 1285 HG11 VAL 81 -11.561 -19.132 12.237 1.00 60.35 ATOM 1286 HG12 VAL 81 -13.297 -19.208 12.538 1.00 74.44 ATOM 1287 HG13 VAL 81 -12.599 -20.089 11.179 1.00 44.40 ATOM 1288 CG2 VAL 81 -11.878 -20.559 14.521 1.00 43.43 ATOM 1289 HG21 VAL 81 -12.709 -20.016 14.948 1.00 43.23 ATOM 1290 HG22 VAL 81 -11.004 -19.925 14.506 1.00 24.24 ATOM 1291 HG23 VAL 81 -11.675 -21.436 15.120 1.00 3.10 ATOM 1292 C VAL 81 -13.795 -22.318 11.638 1.00 62.30 ATOM 1293 O VAL 81 -14.803 -21.892 11.068 1.00 64.12 ATOM 1294 N MET 82 -12.938 -23.151 11.050 1.00 2.24 ATOM 1295 HN MET 82 -12.183 -23.499 11.571 1.00 37.07 ATOM 1296 CA MET 82 -13.089 -23.566 9.645 1.00 41.55 ATOM 1297 HA MET 82 -13.322 -22.682 9.066 1.00 31.13 ATOM 1298 CB MET 82 -11.771 -24.158 9.124 1.00 43.05 ATOM 1299 HB1 MET 82 -11.920 -24.500 8.108 1.00 37.07 ATOM 1300 HB2 MET 82 -11.501 -25.004 9.740 1.00 51.32 ATOM 1301 CG MET 82 -10.608 -23.174 9.129 1.00 14.43 ATOM 1302 HG1 MET 82 -9.714 -23.690 8.809 1.00 37.07 ATOM 1303 HG2 MET 82 -10.467 -22.806 10.135 1.00 24.31 ATOM 1304 SD MET 82 -10.879 -21.764 8.036 1.00 14.14 ATOM 1305 CE MET 82 -10.968 -22.571 6.436 1.00 55.43 ATOM 1306 HE1 MET 82 -10.057 -23.124 6.261 1.00 63.05 ATOM 1307 HE2 MET 82 -11.091 -21.828 5.662 1.00 41.15 ATOM 1308 HE3 MET 82 -11.807 -23.250 6.420 1.00 3.01 ATOM 1309 C MET 82 -14.225 -24.589 9.454 1.00 31.13 ATOM 1310 O MET 82 -14.726 -24.764 8.341 1.00 42.22 ATOM 1311 N GLN 83 -14.611 -25.268 10.540 1.00 33.40 ATOM 1312 HN GLN 83 -14.186 -25.062 11.400 1.00 37.07 ATOM 1313 CA GLN 83 -15.651 -26.314 10.498 1.00 15.35 ATOM 1314 HA GLN 83 -15.769 -26.684 11.508 1.00 73.34 ATOM 1315 CB GLN 83 -16.995 -25.733 10.031 1.00 13.44 ATOM 1316 HB1 GLN 83 -17.707 -26.541 9.919 1.00 37.07 ATOM 1317 HB2 GLN 83 -16.853 -25.258 9.069 1.00 40.32 ATOM 1318 CG GLN 83 -17.588 -24.703 10.987 1.00 1.21 ATOM 1319 HG1 GLN 83 -16.904 -23.871 11.070 1.00 37.07 ATOM 1320 HG2 GLN 83 -17.715 -25.161 11.959 1.00 74.05 ATOM 1321 CD GLN 83 -18.935 -24.179 10.518 1.00 72.41 ATOM 1322 OE1 GLN 83 -19.690 -24.877 9.847 1.00 10.31 ATOM 1323 NE2 GLN 83 -19.260 -22.954 10.880 1.00 32.51 ATOM 1324 HE21 GLN 83 -18.627 -22.452 11.433 1.00 63.21 ATOM 1325 HE22 GLN 83 -20.123 -22.598 10.581 1.00 4.44 ATOM 1326 C GLN 83 -15.237 -27.496 9.603 1.00 4.23 ATOM 1327 O GLN 83 -16.075 -28.279 9.155 1.00 13.23 ATOM 1328 N LYS 84 -13.934 -27.630 9.373 1.00 22.45 ATOM 1329 HN LYS 84 -13.317 -26.988 9.776 1.00 37.07 ATOM 1330 CA LYS 84 -13.387 -28.715 8.554 1.00 43.14 ATOM 1331 HA LYS 84 -14.202 -29.171 8.007 1.00 42.41 ATOM 1332 CB LYS 84 -12.365 -28.149 7.553 1.00 22.21 ATOM 1333 HB1 LYS 84 -11.562 -27.679 8.105 1.00 37.07 ATOM 1334 HB2 LYS 84 -12.853 -27.399 6.946 1.00 50.20 ATOM 1335 CG LYS 84 -11.756 -29.191 6.619 1.00 53.32 ATOM 1336 HG1 LYS 84 -11.233 -29.929 7.212 1.00 37.07 ATOM 1337 HG2 LYS 84 -11.056 -28.700 5.958 1.00 71.53 ATOM 1338 CD LYS 84 -12.819 -29.892 5.776 1.00 51.10 ATOM 1339 HD1 LYS 84 -13.343 -29.151 5.187 1.00 37.07 ATOM 1340 HD2 LYS 84 -13.518 -30.389 6.434 1.00 4.31 ATOM 1341 CE LYS 84 -12.207 -30.928 4.838 1.00 24.12 ATOM 1342 HE1 LYS 84 -11.662 -31.653 5.425 1.00 37.07 ATOM 1343 HE2 LYS 84 -11.526 -30.429 4.162 1.00 22.20 ATOM 1344 NZ LYS 84 -13.245 -31.637 4.040 1.00 13.33 ATOM 1345 HZ1 LYS 84 -13.919 -32.115 4.670 1.00 31.40 ATOM 1346 HZ2 LYS 84 -12.803 -32.349 3.427 1.00 20.25 ATOM 1347 HZ3 LYS 84 -13.767 -30.959 3.444 1.00 54.34 ATOM 1348 C LYS 84 -12.730 -29.775 9.450 1.00 21.40 ATOM 1349 O LYS 84 -11.859 -29.450 10.256 1.00 60.51 ATOM 1350 N ASP 85 -13.156 -31.034 9.299 1.00 35.53 ATOM 1351 HN ASP 85 -13.803 -31.229 8.592 1.00 37.07 ATOM 1352 CA ASP 85 -12.681 -32.138 10.148 1.00 74.51 ATOM 1353 HA ASP 85 -13.161 -33.039 9.789 1.00 21.04 ATOM 1354 CB ASP 85 -11.158 -32.318 10.022 1.00 21.53 ATOM 1355 HB1 ASP 85 -10.814 -32.976 10.809 1.00 37.07 ATOM 1356 HB2 ASP 85 -10.676 -31.356 10.133 1.00 54.41 ATOM 1357 CG ASP 85 -10.749 -32.909 8.684 1.00 75.04 ATOM 1358 OD1 ASP 85 -10.299 -34.074 8.656 1.00 50.25 ATOM 1359 OD2 ASP 85 -10.879 -32.223 7.652 1.00 44.03 ATOM 1360 C ASP 85 -13.085 -31.941 11.623 1.00 4.53 ATOM 1361 O ASP 85 -12.364 -31.324 12.406 1.00 23.14 ATOM 1362 N SER 86 -14.260 -32.455 11.987 1.00 5.15 ATOM 1363 HN SER 86 -14.813 -32.898 11.309 1.00 37.07 ATOM 1364 HA SER 86 -13.905 -32.239 14.025 1.00 24.42 ATOM 1365 CB SER 86 -15.699 -31.164 13.536 1.00 31.41 ATOM 1366 HB1 SER 86 -16.075 -31.135 14.549 1.00 37.07 ATOM 1367 HB2 SER 86 -16.529 -31.259 12.849 1.00 24.43 ATOM 1368 OG SER 86 -15.026 -29.941 13.266 1.00 33.41 ATOM 1369 HG SER 86 -14.105 -30.129 13.038 1.00 0.20 ATOM 1370 CA SER 86 -14.759 -32.372 13.372 1.00 53.23 ATOM 1371 C SER 86 -15.492 -33.663 13.779 1.00 63.53 ATOM 1372 OT1 SER 86 -16.685 -33.809 13.433 1.00 37.07 ATOM 1373 OT2 SER 86 -14.868 -34.530 14.435 1.00 37.07 ATOM 1374 OH2 TIP3 1 -11.508 -33.322 2.546 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -11.777 -34.253 2.372 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -10.786 -33.407 3.224 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.002 -27.711 2.467 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -19.646 -27.742 1.757 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -19.502 -27.349 3.229 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -11.154 -38.993 8.673 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -11.674 -39.824 8.582 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -11.533 -38.404 7.996 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -12.226 -31.298 -1.756 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -13.080 -31.312 -2.204 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -12.053 -30.340 -1.598 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -11.110 -27.487 0.901 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -11.812 -27.262 1.549 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -10.321 -27.661 1.453 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -11.606 -33.621 -0.368 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -11.899 -32.835 -0.871 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -11.785 -33.391 0.559 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -14.985 -35.980 9.426 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -14.026 -35.809 9.278 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -14.997 -36.693 10.098 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -13.985 -29.206 2.671 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -13.632 -28.322 2.472 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -14.947 -29.054 2.801 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -25.582 -29.046 9.071 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -24.877 -29.706 9.225 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -25.836 -28.763 9.959 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -11.771 -28.601 -1.489 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -12.406 -27.980 -1.869 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -11.547 -28.209 -0.610 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -23.369 -30.396 10.032 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -22.978 -31.225 10.379 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -23.717 -29.941 10.834 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -22.200 -28.719 5.622 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -22.931 -28.236 6.069 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -22.504 -29.628 5.590 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -14.827 -26.942 -4.815 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -14.827 -27.226 -5.732 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -15.442 -26.207 -4.793 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -11.791 -38.213 11.344 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -11.534 -37.269 11.361 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -11.431 -38.545 10.494 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.706 -36.948 10.600 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.434 -36.576 11.474 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -18.597 -37.899 10.706 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -15.942 -33.439 9.582 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -15.707 -34.390 9.669 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -15.896 -33.272 8.631 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -12.903 -37.464 7.062 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -12.729 -36.796 7.759 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -13.677 -37.959 7.393 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -16.812 -29.910 5.742 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -17.169 -29.039 6.022 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -17.296 -30.554 6.296 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -19.345 -29.979 11.683 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.989 -29.919 10.770 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -19.049 -30.861 11.998 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -9.667 -31.288 1.941 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -9.997 -30.818 1.168 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -10.281 -32.041 2.045 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -14.666 -34.354 3.572 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -14.576 -35.001 4.283 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -14.649 -34.898 2.750 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -22.228 -25.085 5.802 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -21.574 -25.633 5.328 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -21.689 -24.572 6.445 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.656 -31.889 2.993 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.595 -31.795 3.175 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.481 -32.849 3.110 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -15.913 -35.071 6.994 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -15.476 -35.555 7.722 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -16.869 -35.220 7.153 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -14.390 -35.975 1.399 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -13.426 -36.047 1.592 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -14.486 -36.366 0.528 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.311 -28.065 9.018 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -22.556 -28.960 9.343 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.899 -27.925 8.243 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -18.998 -27.742 13.206 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -18.028 -27.653 13.284 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -19.119 -28.525 12.628 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.922 -31.689 7.564 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -18.469 -32.388 7.946 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.096 -30.910 8.140 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -18.125 -35.996 13.078 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.868 -35.846 13.672 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -17.547 -35.192 13.208 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -20.694 -34.971 10.422 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -20.131 -35.756 10.567 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.057 -34.252 10.240 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.290 -35.386 8.353 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.395 -36.074 9.040 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.558 -34.565 8.800 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -9.630 -31.695 -2.666 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -10.540 -31.707 -2.308 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -9.680 -32.236 -3.458 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -10.011 -35.801 0.014 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -10.590 -35.041 -0.226 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -9.409 -35.882 -0.728 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.348 -35.734 9.143 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -12.079 -35.785 10.086 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -11.646 -35.172 8.732 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.091 -40.848 8.206 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.831 -40.207 8.185 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.519 -41.706 8.205 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -12.210 -34.081 6.031 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -11.545 -33.568 6.545 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -13.060 -33.739 6.339 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -8.767 -27.651 2.339 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -8.505 -28.255 3.067 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -8.569 -26.772 2.681 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.035 -27.459 6.397 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.486 -26.648 6.406 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -18.603 -27.374 7.194 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.323 -26.929 4.774 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -19.524 -27.128 5.300 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -20.979 -27.605 5.067 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -7.599 -31.380 3.704 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -7.702 -30.502 4.125 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -8.261 -31.373 2.975 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -14.044 -31.749 21.307 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -13.169 -31.818 21.713 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -14.038 -32.430 20.604 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -16.369 -30.336 21.149 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -15.492 -30.781 21.254 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -17.003 -30.964 21.553 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -16.753 -34.120 20.212 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -15.838 -33.805 20.024 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -17.089 -34.390 19.344 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -16.585 -27.631 21.337 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -15.715 -27.402 21.681 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.544 -28.611 21.212 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -17.190 -28.999 18.777 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -17.777 -29.505 18.193 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -16.902 -29.645 19.451 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.885 -32.498 12.667 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.355 -32.270 13.506 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -18.064 -32.963 12.973 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.622 -33.195 10.059 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.639 -33.186 10.005 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -18.811 -32.905 10.983 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -10.095 -38.062 24.234 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -11.055 -38.048 24.369 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -9.825 -37.121 24.346 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -14.272 -33.634 19.211 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -14.762 -33.872 18.392 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -13.332 -33.849 18.993 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -16.510 -34.408 25.616 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -17.169 -35.099 25.747 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -15.694 -34.897 25.375 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -18.064 -32.382 21.967 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -17.643 -33.056 21.389 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -19.002 -32.423 21.736 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -19.193 -29.357 16.525 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -18.428 -28.797 16.293 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -19.940 -28.741 16.528 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -18.347 -28.499 27.951 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -18.449 -29.029 27.131 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -18.749 -29.066 28.655 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -19.488 -24.753 18.552 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -19.314 -23.934 18.029 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -20.018 -24.438 19.317 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -15.636 -34.783 17.096 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -15.417 -34.517 16.172 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.577 -35.743 17.080 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -22.396 -32.669 11.323 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -23.235 -33.178 11.222 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -21.703 -33.338 11.205 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -14.351 -35.938 24.770 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.805 -35.693 23.929 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -13.702 -36.614 24.494 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -10.515 -37.460 13.838 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -11.054 -37.988 13.218 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -11.098 -36.712 14.084 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -18.494 -29.682 25.477 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -18.846 -29.272 24.660 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -18.349 -30.623 25.229 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -15.555 -36.960 13.225 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -16.518 -36.815 13.227 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -15.196 -36.169 13.685 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -7.194 -35.423 15.117 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -7.611 -34.908 15.832 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -7.631 -36.300 15.168 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -12.631 -37.319 22.999 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -12.217 -38.033 22.467 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -12.340 -36.508 22.567 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -20.106 -31.487 14.860 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -19.775 -30.846 15.519 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -20.826 -31.014 14.405 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.803 -30.483 22.637 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -23.627 -30.072 22.383 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -22.256 -29.742 22.969 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.241 -32.660 27.315 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -14.426 -33.199 27.237 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -15.891 -33.140 26.768 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -21.757 -27.809 13.671 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -20.789 -27.676 13.572 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -21.889 -28.753 13.450 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -21.776 -30.403 12.840 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -20.958 -30.212 12.330 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -22.117 -31.231 12.439 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -17.587 -27.137 16.030 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.485 -26.782 15.831 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -17.176 -27.264 15.147 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -20.154 -26.268 16.290 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -20.104 -25.704 17.087 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -20.757 -25.785 15.690 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -24.405 -28.710 11.912 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -24.289 -27.796 11.572 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -23.962 -28.700 12.770 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -17.469 -32.008 24.633 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -17.160 -32.881 24.955 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -17.657 -32.158 23.680 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -24.396 -34.454 10.817 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -23.932 -35.124 10.267 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -25.268 -34.830 10.960 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -22.900 -36.230 9.380 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -22.115 -35.757 9.735 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -22.558 -36.733 8.638 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.061 -29.288 30.542 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.575 -28.515 30.226 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -14.151 -28.946 30.644 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -14.809 -31.914 29.863 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.936 -30.951 30.044 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.107 -32.026 28.929 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -18.333 -29.530 9.161 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -18.921 -28.784 8.912 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -17.432 -29.131 9.168 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -10.697 -33.122 15.942 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -9.946 -32.903 15.365 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -10.706 -32.402 16.599 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -11.806 -34.230 18.311 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -11.525 -34.060 17.394 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -10.966 -34.245 18.818 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -15.554 -35.578 22.343 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -16.052 -35.011 21.725 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.275 -36.326 21.805 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -11.278 -35.520 11.647 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -10.395 -35.108 11.578 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -11.605 -35.243 12.536 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -12.114 -35.039 14.196 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.713 -34.368 14.786 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -13.085 -34.912 14.315 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -10.762 -38.885 21.724 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -10.093 -39.456 21.301 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -10.351 -38.629 22.572 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -12.518 -33.398 29.469 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -12.789 -33.922 28.686 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -13.289 -32.812 29.644 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -12.759 -31.429 25.541 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -12.285 -31.045 24.767 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -12.270 -32.253 25.729 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.514 -38.166 11.039 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -13.564 -38.339 11.230 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -14.878 -37.855 11.904 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -8.587 -37.668 15.919 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -8.764 -38.482 16.444 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -9.287 -37.670 15.234 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -18.696 -25.447 30.253 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -18.019 -26.101 30.495 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -18.568 -24.722 30.895 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -16.377 -24.642 28.174 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.379 -24.949 27.242 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -17.047 -23.923 28.190 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.684 -24.162 21.115 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -18.641 -24.119 20.916 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -17.537 -23.409 21.720 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -16.388 -25.526 25.547 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.344 -25.648 25.358 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.041 -25.084 24.736 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -18.623 -28.098 23.225 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.680 -27.255 23.730 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -18.011 -27.895 22.490 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -15.409 -33.880 34.760 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -16.267 -33.559 35.104 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -15.473 -33.736 33.795 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.815 -31.774 35.468 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.444 -32.523 35.504 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.955 -32.200 35.295 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.112 -26.886 33.905 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -20.925 -26.860 33.395 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -20.313 -27.501 34.646 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -19.347 -26.764 40.219 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -19.294 -25.810 40.337 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -19.524 -27.104 41.101 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -18.970 -28.053 37.836 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -19.207 -27.599 38.675 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -18.008 -28.071 37.843 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -17.631 -32.240 34.927 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.043 -31.542 34.594 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -18.529 -31.920 34.703 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -15.831 -32.995 32.141 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -16.723 -33.192 31.831 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -15.350 -32.714 31.327 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -20.600 -28.763 35.809 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -19.929 -28.526 36.498 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -21.351 -29.088 36.315 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -13.589 -23.931 33.825 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -13.379 -23.874 34.784 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -12.995 -23.287 33.415 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -17.508 -26.824 33.176 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -18.440 -26.804 33.499 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.206 -25.892 33.259 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -15.669 -30.673 33.600 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -15.639 -31.472 33.027 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -14.959 -30.829 34.262 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -12.407 -34.627 39.490 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -11.779 -35.385 39.536 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -13.288 -35.052 39.437 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -19.328 -29.888 30.068 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -20.111 -30.274 30.470 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -18.729 -29.717 30.827 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -8.110 -35.816 35.938 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -8.202 -36.370 35.156 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -8.742 -35.080 35.789 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -14.835 -35.942 39.167 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -15.655 -36.036 39.660 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -15.084 -36.109 38.252 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -17.895 -29.391 32.363 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -17.755 -28.431 32.523 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -17.056 -29.804 32.644 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -19.715 -30.689 33.975 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -20.062 -30.026 34.602 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -19.159 -30.170 33.360 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -9.683 -33.576 35.874 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -10.526 -33.641 35.370 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -9.962 -33.237 36.756 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -12.583 -25.710 41.149 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -11.792 -25.475 40.625 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -12.521 -25.154 41.933 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.324 -25.994 27.632 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -19.060 -26.940 27.654 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -19.204 -25.694 28.563 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -16.492 -27.141 29.489 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -17.118 -27.674 28.952 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -16.455 -26.279 29.027 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -12.133 -30.832 32.798 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.351 -31.670 32.366 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -11.173 -30.895 32.963 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -10.752 -27.427 39.070 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -10.093 -28.067 39.405 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -10.337 -26.555 39.215 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -12.514 -29.413 36.125 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -13.061 -30.210 35.979 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.591 -29.730 36.008 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -10.625 -36.689 39.433 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -10.726 -37.572 39.795 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -9.710 -36.680 39.078 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -11.439 -33.548 31.985 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -10.510 -33.754 31.796 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -11.879 -33.604 31.108 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -10.487 -32.965 38.445 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -11.168 -33.611 38.748 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -10.801 -32.111 38.795 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -12.721 -24.230 36.394 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -12.436 -25.172 36.417 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -13.299 -24.144 37.182 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -19.510 -13.264 -15.523 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -20.447 -13.483 -15.547 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -19.467 -12.352 -15.903 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -19.865 -10.766 -16.492 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -19.270 -10.417 -17.186 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -20.413 -9.997 -16.241 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -14.300 -11.232 -14.657 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.857 -11.925 -15.192 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -14.696 -10.629 -15.328 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -16.089 -10.602 -19.324 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -16.251 -10.835 -20.267 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -16.981 -10.431 -18.965 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -15.730 -13.015 -13.208 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -15.294 -12.256 -13.660 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -15.579 -13.770 -13.812 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.329 -13.410 -16.052 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -14.138 -13.851 -15.715 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.713 -14.160 -16.232 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -19.658 -10.412 -11.896 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -20.529 -10.394 -12.309 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -19.237 -11.235 -12.252 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -21.326 -7.382 -10.868 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -22.213 -6.970 -10.947 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -21.094 -7.625 -11.787 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.200 -15.107 -14.971 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.146 -15.182 -15.248 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.790 -15.935 -15.301 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.894 -9.214 -9.445 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -16.873 -9.325 -9.385 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -15.667 -8.657 -8.680 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -17.790 -15.361 -15.705 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.446 -16.002 -15.989 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.288 -14.514 -15.657 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -21.232 -8.357 -16.113 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -21.017 -7.897 -16.933 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -22.097 -7.973 -15.841 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.530 -12.584 -13.018 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -18.805 -12.931 -13.888 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -17.575 -12.788 -12.970 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -14.173 -11.118 -6.378 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -14.026 -11.733 -5.624 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -15.146 -10.993 -6.401 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.518 -9.798 -9.478 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.036 -10.047 -10.274 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -19.044 -10.141 -8.732 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -13.693 -17.594 -7.290 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -13.288 -17.528 -8.188 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.559 -17.988 -7.451 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -13.482 -10.599 -20.072 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -14.418 -10.583 -19.780 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -13.098 -11.363 -19.600 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -12.264 -12.549 -18.456 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -12.004 -13.424 -18.773 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -12.756 -12.731 -17.624 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -14.643 -13.745 -10.756 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.203 -13.449 -11.506 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.769 -13.046 -10.073 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -13.481 -15.948 -11.938 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -13.834 -15.193 -11.416 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -14.048 -15.978 -12.717 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -11.682 -19.093 -14.744 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -12.343 -18.415 -14.550 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -11.792 -19.750 -14.014 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -14.432 -17.594 -15.925 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -15.342 -17.913 -15.913 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -13.945 -18.282 -16.437 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.388 -9.391 -18.401 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -18.796 -9.008 -19.186 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.831 -8.667 -18.040 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -20.524 -7.747 -13.496 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -20.755 -8.159 -14.350 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -20.134 -6.882 -13.748 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -18.607 -6.616 -8.209 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.502 -7.015 -8.171 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.031 -7.272 -7.756 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -25.697 -8.123 -11.296 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -25.245 -8.565 -12.052 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -26.623 -8.352 -11.409 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -23.425 -7.111 -15.099 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -23.230 -6.643 -14.267 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -23.842 -6.425 -15.662 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -12.505 -14.786 0.104 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -12.314 -15.588 -0.425 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -12.714 -15.137 0.993 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -12.421 -22.345 2.889 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -11.518 -22.144 2.578 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -12.700 -23.094 2.332 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.504 -19.705 4.857 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.220 -20.128 5.701 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.910 -20.106 4.179 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.544 -23.538 2.254 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.584 -24.255 2.919 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -15.444 -22.725 2.779 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -11.805 -12.509 5.159 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -12.051 -13.426 4.948 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -11.700 -12.511 6.140 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -13.052 -12.948 -1.757 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -13.824 -12.490 -1.407 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -12.856 -13.642 -1.078 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -17.079 -16.984 5.071 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.685 -17.879 5.004 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -18.030 -17.155 5.188 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -21.519 -6.561 -1.840 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -21.008 -6.809 -2.642 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -22.255 -6.035 -2.180 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -16.869 -8.129 -6.748 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.564 -7.919 -5.856 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.801 -9.106 -6.802 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -17.523 -5.832 -3.463 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -18.017 -5.699 -2.629 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -16.772 -5.211 -3.392 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.921 -23.763 7.794 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -21.473 -23.206 8.374 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -20.359 -24.261 8.414 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -15.769 -20.791 7.245 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -16.365 -20.642 8.010 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -14.943 -21.090 7.643 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -14.636 -11.601 -9.076 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.360 -11.407 -8.161 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -14.976 -10.741 -9.411 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.112 -18.982 5.466 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.741 -19.399 4.869 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -18.243 -19.360 5.204 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -15.405 -25.893 3.907 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.859 -26.729 3.648 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -15.783 -25.680 4.784 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -14.823 -9.297 10.994 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -14.680 -9.496 10.044 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.402 -10.026 11.307 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -12.076 -15.396 5.131 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -11.522 -15.447 5.955 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -12.914 -15.797 5.390 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -19.457 -18.620 8.173 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -18.691 -19.160 8.447 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -19.458 -18.686 7.193 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -18.913 -13.531 7.548 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -18.502 -12.794 8.020 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.327 -13.683 6.783 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -11.445 -16.627 -4.134 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -12.040 -16.047 -4.651 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -11.961 -16.848 -3.338 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -13.320 -12.850 -4.485 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -13.234 -13.793 -4.722 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -13.182 -12.834 -3.514 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -12.001 -17.189 -1.152 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -12.809 -17.410 -1.671 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -11.855 -17.973 -0.596 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -16.811 -10.871 -7.037 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -16.652 -11.232 -7.925 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.788 -10.925 -6.930 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -14.643 -10.009 8.350 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -14.814 -10.983 8.333 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.333 -9.641 7.785 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -10.399 -13.416 -2.549 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -10.132 -14.220 -2.049 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -11.319 -13.257 -2.271 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.508 -25.083 6.385 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -15.830 -25.026 7.094 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -16.885 -24.195 6.345 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -23.361 -9.843 -6.937 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -23.286 -9.562 -7.857 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -24.233 -10.247 -6.881 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.319 -20.942 -0.568 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -18.243 -20.740 -0.735 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -17.342 -21.655 0.079 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -15.087 -19.385 -1.032 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -15.866 -19.970 -0.901 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.706 -19.288 -0.136 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -13.394 -8.341 4.637 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -14.117 -8.023 4.061 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -13.003 -9.097 4.135 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -20.995 -8.820 -5.969 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -20.982 -8.179 -6.715 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -21.889 -9.222 -6.021 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -17.781 -11.987 9.690 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -18.635 -12.310 10.002 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.326 -11.682 10.507 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.537 -10.820 -7.072 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -20.112 -11.585 -6.959 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -20.006 -10.095 -6.597 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.494 -15.411 3.416 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -15.860 -14.574 3.738 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -16.056 -16.092 3.835 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -16.872 -14.254 5.761 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -16.122 -14.089 6.346 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -16.925 -15.229 5.703 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -24.746 -25.001 6.784 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -25.274 -24.580 6.101 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -23.831 -25.018 6.406 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -24.252 -27.698 7.106 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -24.555 -26.768 7.034 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -24.934 -28.130 7.672 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -17.408 -20.147 9.340 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -17.141 -19.506 10.032 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -17.831 -20.865 9.837 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -15.550 -17.472 9.107 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -15.754 -18.157 8.460 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -15.914 -17.814 9.943 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -22.126 -22.424 9.927 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -23.080 -22.555 9.730 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -22.025 -21.451 10.019 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -19.757 -27.278 8.550 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -20.689 -27.593 8.630 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.742 -26.451 9.069 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -20.328 -3.141 -6.996 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -20.577 -2.370 -6.449 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -20.584 -3.911 -6.445 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -12.332 -10.532 3.378 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -12.271 -11.264 4.029 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -11.793 -10.839 2.626 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -10.141 -10.265 6.115 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -10.897 -9.808 6.549 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -10.563 -10.960 5.577 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -8.081 -12.049 -2.365 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -7.535 -12.707 -1.882 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -8.963 -12.481 -2.441 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -9.654 -15.668 -1.132 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -10.439 -16.254 -1.144 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -9.274 -15.798 -0.234 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -11.555 -12.696 7.791 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -11.456 -13.653 8.017 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.231 -12.382 8.401 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.446 -12.589 8.426 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -16.339 -12.424 8.801 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -15.174 -13.445 8.825 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -8.704 -16.313 -3.719 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -9.637 -16.483 -3.964 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -8.756 -16.007 -2.793 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.178 -15.305 -5.834 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -13.352 -16.178 -6.257 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.380 -14.666 -6.527 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -14.705 -20.862 3.098 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -14.467 -20.158 2.459 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -13.875 -21.381 3.198 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -13.172 -16.320 2.350 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -12.626 -16.235 3.143 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -14.060 -15.991 2.634 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -12.747 -4.750 -1.901 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -12.835 -4.611 -0.947 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -12.567 -5.704 -1.988 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -12.326 -8.983 7.166 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -13.058 -9.331 7.717 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -12.762 -8.731 6.321 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -13.110 -26.486 2.507 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -13.849 -26.289 3.125 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -13.073 -25.696 1.926 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -13.286 -24.202 0.938 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.184 -23.998 1.297 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -13.312 -23.868 0.035 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -16.510 -28.363 3.392 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.687 -28.971 4.139 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -17.405 -28.168 3.021 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -19.982 -7.085 -4.048 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -20.099 -7.869 -4.627 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -19.013 -6.946 -4.019 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -23.701 -26.366 10.724 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -23.152 -26.907 10.120 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -23.058 -25.764 11.159 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -19.636 -19.626 18.465 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -18.742 -19.942 18.257 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -20.162 -19.848 17.665 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -15.640 -17.298 20.643 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.370 -17.923 20.570 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -14.833 -17.857 20.524 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -13.105 -13.976 19.992 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -13.075 -14.921 19.740 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -12.605 -13.527 19.277 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -15.584 -20.488 21.724 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -15.159 -20.520 20.832 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -15.022 -19.886 22.227 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -11.716 -13.345 17.748 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -12.160 -12.536 17.417 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -12.078 -14.059 17.185 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -15.788 -24.444 23.170 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -16.078 -23.517 23.265 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -16.234 -24.748 22.359 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -21.369 -28.274 23.450 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -21.455 -27.451 23.940 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -20.415 -28.333 23.245 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -15.465 -13.551 16.480 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -14.929 -12.846 16.889 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -15.690 -14.149 17.232 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -14.857 -15.060 26.139 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -14.111 -15.169 26.761 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.447 -14.666 25.340 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -17.473 -22.256 14.687 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -17.641 -21.787 13.851 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -16.773 -22.903 14.459 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -19.439 -17.783 11.743 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -19.954 -17.443 12.485 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -19.642 -17.159 11.001 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -15.204 -16.614 13.110 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -14.531 -16.000 12.742 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -15.660 -16.090 13.780 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.745 -17.532 15.546 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -14.147 -17.507 14.665 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -14.092 -18.365 15.942 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -12.299 -12.354 22.172 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.718 -12.825 21.422 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -11.376 -12.209 21.873 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -16.188 -11.594 14.584 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -16.038 -12.315 15.229 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -15.663 -10.846 14.934 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -18.967 -25.943 24.793 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -19.296 -25.907 25.715 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -19.327 -25.126 24.378 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -16.350 -18.613 25.340 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.451 -18.620 24.950 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -16.623 -17.673 25.300 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -16.801 -18.475 11.483 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.263 -17.903 12.070 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -17.731 -18.177 11.642 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.766 -22.555 17.084 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -18.173 -22.048 17.682 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.327 -22.495 16.202 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.210 -22.513 28.360 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -18.511 -22.669 29.265 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.255 -21.539 28.258 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -14.977 -19.806 16.490 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.752 -20.328 16.257 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -14.773 -20.079 17.412 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -20.941 -19.908 10.183 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -20.632 -19.352 10.913 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -20.603 -19.460 9.384 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.519 -15.407 18.488 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.980 -15.871 19.204 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.620 -15.784 18.505 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -20.352 -23.592 20.924 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -20.339 -22.612 20.805 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -20.464 -23.711 21.888 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -21.871 -25.159 14.271 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -21.978 -26.132 14.166 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -21.845 -24.824 13.349 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -22.570 -22.624 15.163 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -22.274 -23.516 14.886 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -23.500 -22.737 15.368 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -19.936 -20.901 20.830 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -19.951 -20.186 21.471 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -19.952 -20.442 19.956 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -19.728 -23.519 23.711 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.988 -22.919 23.503 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -19.950 -23.310 24.648 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.159 -21.223 12.041 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -16.291 -21.563 11.731 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.035 -20.256 12.075 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -13.915 -13.687 23.918 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.236 -13.225 23.378 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -14.497 -14.118 23.247 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -12.479 -12.953 14.200 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -12.829 -13.365 13.388 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -12.391 -13.703 14.825 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -13.040 -16.584 18.890 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -13.165 -17.421 19.407 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -12.755 -16.888 18.019 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -15.124 -14.781 21.752 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -14.547 -14.407 21.056 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -15.337 -15.681 21.430 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.674 -14.921 9.623 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.019 -15.816 9.393 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -13.705 -14.972 9.403 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -11.078 -10.464 14.197 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -11.442 -11.373 14.195 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -11.761 -9.934 13.731 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.099 -14.938 15.982 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.992 -14.546 16.071 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -13.271 -15.898 15.847 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -18.338 -20.357 24.788 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -17.544 -19.796 24.936 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.018 -19.946 25.338 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -20.802 -20.831 16.266 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.154 -21.527 16.479 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -21.524 -21.312 15.808 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -19.882 -23.600 26.452 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -19.901 -24.461 26.915 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -19.317 -23.041 27.020 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -17.214 -21.132 18.844 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -17.519 -21.264 19.753 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -16.246 -20.944 18.939 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -21.843 -24.599 11.585 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -22.081 -23.770 11.118 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -20.995 -24.858 11.185 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -13.404 -11.627 16.417 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.712 -10.731 16.164 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -13.119 -12.027 15.570 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -13.464 -14.667 12.065 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.033 -14.632 11.265 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -12.584 -14.879 11.717 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.337 -16.076 25.625 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -16.480 -15.709 25.957 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.600 -15.462 24.930 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -19.920 -16.256 9.555 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -19.866 -15.474 8.986 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -19.810 -17.010 8.938 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -19.223 -18.038 26.533 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -20.016 -17.493 26.521 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -18.502 -17.417 26.300 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -18.479 -19.769 28.537 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -17.523 -19.546 28.461 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -18.907 -19.200 27.861 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.893 -19.261 27.958 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -16.017 -19.108 26.995 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -15.327 -20.069 28.004 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -14.304 -21.463 28.209 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.869 -22.035 27.569 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -14.471 -22.050 28.980 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -18.551 -23.259 31.927 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -18.591 -22.325 31.607 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -19.406 -23.398 32.353 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -10.346 -8.767 22.791 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -10.747 -7.905 22.564 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.018 -9.207 23.360 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.214 -10.329 24.165 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -12.299 -10.993 23.453 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.542 -10.787 24.958 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -11.092 -13.492 27.209 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -11.733 -12.863 26.818 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -11.616 -14.303 27.351 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -13.371 -12.182 26.093 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.582 -12.705 25.288 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.196 -12.172 26.591 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.113 -6.936 16.120 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.936 -6.803 16.601 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.254 -6.466 15.268 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -17.328 -22.116 22.983 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -17.711 -21.509 23.663 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -16.708 -21.538 22.473 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -24.397 -23.984 9.369 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -24.617 -24.282 8.465 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -24.391 -24.805 9.895 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -16.269 -27.654 13.633 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -15.934 -28.580 13.545 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -15.503 -27.105 13.378 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -14.453 -9.457 15.156 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.942 -9.259 14.341 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -14.630 -8.575 15.547 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.703 -23.513 30.017 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.571 -24.148 30.728 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.314 -23.971 29.396 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -12.277 -16.158 30.859 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -13.019 -16.522 30.342 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -12.335 -16.630 31.717 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -18.826 -20.739 31.036 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -18.700 -20.379 30.129 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -19.102 -19.977 31.554 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.858 -15.611 28.038 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -13.431 -16.362 28.303 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.346 -15.413 28.839 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -9.331 -14.684 33.731 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -9.294 -13.935 34.337 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -9.938 -15.326 34.178 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -11.056 -16.464 34.804 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -11.663 -16.696 34.076 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -11.117 -17.217 35.408 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -10.045 -14.513 31.035 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -10.848 -15.073 30.943 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -9.900 -14.462 32.003 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -14.213 -17.625 29.365 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.918 -18.360 29.917 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.976 -17.994 28.866 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.952 -17.553 33.136 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.783 -17.132 33.454 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.797 -18.285 33.771 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -15.111 -16.175 34.095 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -15.833 -15.799 33.581 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -15.104 -15.661 34.910 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.363 -19.204 35.313 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.941 -20.092 35.248 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -13.037 -19.316 35.991 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -13.821 -25.140 38.718 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -13.571 -25.940 38.217 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -13.657 -25.380 39.648 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -11.551 -21.843 35.597 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -11.912 -22.682 35.944 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -10.589 -21.898 35.787 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -16.349 -24.339 33.297 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -15.537 -23.806 33.339 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -16.987 -23.772 32.817 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -15.743 -0.633 -13.965 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.633 0.180 -13.426 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -15.467 -0.357 -14.867 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -15.665 -2.763 -17.280 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.284 -3.619 -17.558 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -16.574 -2.793 -17.607 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.960 -3.340 -9.667 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.064 -3.077 -10.609 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -13.244 -2.542 -9.162 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -14.903 -3.065 -14.637 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -15.089 -2.927 -15.587 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -15.194 -2.224 -14.215 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -19.254 -5.446 -14.278 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -18.269 -5.407 -14.305 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -19.518 -4.557 -13.966 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -17.965 1.106 -12.069 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.089 1.460 -12.328 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -18.373 1.823 -11.573 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -16.152 -0.769 -9.736 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -16.875 -0.328 -9.228 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -16.609 -1.164 -10.497 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -24.491 -9.122 -13.526 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -24.071 -8.495 -14.150 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -24.566 -9.939 -14.026 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -22.426 -1.280 -7.878 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -23.305 -1.271 -8.327 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -22.074 -2.164 -8.072 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -14.901 -0.111 -16.527 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -15.133 0.492 -17.244 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -15.101 -1.000 -16.888 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -17.541 -1.587 -12.173 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -16.905 -1.348 -12.886 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -17.983 -0.732 -11.958 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -19.800 -0.899 -15.305 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -19.770 -0.001 -14.959 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -19.795 -1.465 -14.508 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -19.727 -2.863 -13.315 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -20.291 -3.071 -12.524 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -18.907 -2.487 -12.925 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -21.867 -3.449 -15.075 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -21.359 -3.346 -15.904 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -21.242 -3.168 -14.380 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -20.786 0.845 -7.455 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -21.449 0.137 -7.630 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -21.149 1.622 -7.895 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -24.185 -4.623 -16.063 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -23.373 -4.122 -15.829 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -24.642 -4.054 -16.691 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -20.117 -2.848 -17.158 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -20.382 -2.421 -17.981 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -19.920 -2.094 -16.548 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -11.839 3.707 -15.135 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -11.083 3.558 -14.528 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -11.539 4.414 -15.719 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -18.774 -0.571 -8.835 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -19.383 -1.271 -9.097 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -19.317 0.026 -8.286 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -15.918 -3.627 -11.228 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -15.083 -3.211 -11.527 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -16.613 -3.001 -11.520 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -23.659 -4.891 -13.334 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -22.915 -4.288 -13.503 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -24.245 -4.762 -14.101 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -15.308 1.702 -12.692 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -14.569 1.801 -13.328 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -14.871 1.705 -11.817 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -23.784 -6.242 -11.007 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -23.847 -5.785 -11.879 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -24.522 -6.897 -11.025 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -24.718 -1.842 -9.267 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -24.288 -2.701 -9.467 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -25.568 -1.891 -9.715 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -21.270 -7.265 -8.149 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -21.315 -7.350 -9.133 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -21.933 -6.575 -7.937 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -19.208 -4.200 -9.242 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -18.981 -5.101 -8.923 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -19.602 -3.763 -8.456 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -14.426 3.131 -7.260 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -14.065 3.427 -8.123 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -14.395 3.921 -6.706 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -13.909 -1.320 -8.113 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -14.517 -0.760 -8.625 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -13.497 -0.699 -7.472 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -16.583 -5.237 -14.600 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -15.999 -4.473 -14.412 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -16.273 -5.566 -15.455 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -12.413 -0.025 -12.345 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -12.716 0.446 -13.151 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -11.444 0.138 -12.324 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -18.925 -5.378 -17.015 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -19.152 -5.529 -16.075 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -19.345 -4.519 -17.223 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -15.357 -9.637 -16.704 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -15.440 -10.069 -17.575 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -15.917 -8.848 -16.778 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -10.807 -8.403 -16.407 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -9.870 -8.270 -16.143 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -10.782 -9.206 -16.971 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -16.937 -7.255 -17.406 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -16.148 -6.695 -17.515 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -17.681 -6.612 -17.339 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -17.140 1.506 -4.829 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -18.122 1.530 -4.818 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -16.879 2.009 -4.019 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -11.853 -5.112 2.541 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -12.756 -5.315 2.193 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -11.827 -4.133 2.575 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -14.303 -5.609 1.503 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -14.976 -5.205 0.921 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -14.803 -6.271 2.024 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -16.002 -4.128 -0.241 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -15.805 -4.132 -1.202 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.696 -3.262 0.060 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.861 1.273 -4.857 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -20.132 1.023 -5.768 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -20.656 1.656 -4.472 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -14.927 -0.150 -4.425 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -15.675 0.470 -4.538 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -14.281 0.126 -5.110 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -16.272 1.093 -7.427 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -16.704 1.245 -6.564 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -15.686 1.865 -7.536 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -13.233 0.776 -6.395 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -12.372 1.203 -6.233 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -13.796 1.503 -6.733 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -19.427 -1.336 -3.652 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -20.244 -1.326 -4.203 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -19.195 -0.398 -3.562 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -16.318 1.738 -0.033 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -16.619 1.714 0.879 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -15.523 1.160 -0.039 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -23.210 -4.107 -9.473 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -23.458 -4.878 -10.037 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -23.073 -4.500 -8.584 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -18.549 -4.961 -1.061 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -17.724 -4.681 -0.609 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -18.982 -5.563 -0.421 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -21.158 -4.878 -5.053 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -20.762 -5.737 -4.781 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -21.068 -4.317 -4.254 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -23.765 -2.165 -3.678 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -23.532 -2.796 -2.961 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -24.675 -1.917 -3.486 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -16.429 2.764 -2.533 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -16.556 3.694 -2.325 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -16.434 2.320 -1.653 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -22.909 -3.859 -1.696 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -21.977 -3.815 -2.009 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -22.833 -3.937 -0.739 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -15.634 -3.802 -2.976 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -15.238 -2.950 -2.691 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -14.926 -4.226 -3.508 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -22.958 -5.328 -7.043 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -22.347 -5.149 -6.290 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -23.817 -5.452 -6.623 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -14.046 0.239 0.054 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -13.129 0.587 0.145 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -14.181 -0.293 0.873 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -21.653 -1.432 -5.243 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -22.398 -1.686 -4.646 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -22.090 -1.222 -6.092 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -21.049 -3.507 -11.093 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -21.897 -3.624 -10.621 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -20.376 -3.845 -10.460 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -11.235 5.372 -4.889 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -11.218 5.893 -5.728 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -11.618 5.977 -4.245 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -10.441 3.001 -3.782 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -11.140 2.856 -3.101 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -10.613 3.912 -4.108 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -12.482 2.684 -1.982 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -13.410 2.421 -2.003 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -12.142 2.301 -1.146 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -14.432 -1.474 -2.107 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -14.595 -0.959 -2.935 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -14.367 -0.786 -1.408 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -14.376 -1.118 2.401 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -13.536 -1.622 2.442 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -14.729 -1.178 3.292 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -12.938 -8.943 12.919 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -13.591 -9.019 12.185 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -12.305 -8.262 12.607 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -8.642 -8.482 10.917 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -8.198 -7.909 10.249 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -8.813 -9.305 10.441 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -10.371 -7.104 7.793 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -11.034 -7.820 7.716 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -10.482 -6.596 6.972 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -15.714 -7.352 3.158 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -16.207 -7.104 3.946 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -16.410 -7.617 2.512 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -17.867 -7.953 1.570 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -18.060 -8.864 1.328 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -18.558 -7.431 1.109 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -20.056 -6.775 0.401 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -20.724 -6.851 1.091 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -20.578 -6.781 -0.442 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -20.372 -3.689 -2.657 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -19.703 -4.153 -2.102 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -19.968 -2.812 -2.835 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -16.159 -11.522 11.875 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -16.351 -11.452 12.843 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -15.507 -12.231 11.818 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.995 -6.622 11.524 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -15.033 -7.582 11.337 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -14.230 -6.308 10.995 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -13.987 -3.780 14.505 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -14.639 -4.459 14.232 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -14.419 -2.945 14.303 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -15.920 -5.635 13.829 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -16.848 -5.520 13.600 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -15.515 -6.013 13.004 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -8.533 -34.474 6.666 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -9.222 -34.406 7.375 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -8.014 -33.659 6.764 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 2.170 -31.887 8.382 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 2.503 -31.975 7.456 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 1.200 -31.767 8.278 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -5.053 -32.078 4.438 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -5.979 -31.931 4.136 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -4.540 -32.159 3.602 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -11.559 -36.507 4.820 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -12.081 -36.984 5.502 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -11.609 -35.567 5.102 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 2.577 -30.962 3.672 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 1.661 -31.007 3.327 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 2.916 -30.117 3.340 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -0.086 -31.133 3.081 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -0.636 -30.443 2.644 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -0.410 -31.963 2.709 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -11.795 -35.981 2.075 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -11.510 -36.332 2.945 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -11.015 -36.117 1.490 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -5.968 -32.817 6.996 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -6.718 -32.186 7.068 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -5.571 -32.616 6.122 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -8.343 -31.457 6.973 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -8.318 -30.499 7.156 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -9.278 -31.717 7.173 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -9.078 -29.176 -1.751 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -10.017 -28.913 -1.816 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -9.065 -30.096 -2.093 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 0.199 -30.405 5.817 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 0.970 -29.798 5.901 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 0.158 -30.606 4.863 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -2.166 -28.146 4.175 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -1.200 -27.946 4.112 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -2.473 -27.594 4.920 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 3.240 -29.791 9.764 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 2.840 -30.580 9.335 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.158 -29.082 9.077 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -3.600 -31.741 2.112 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -4.080 -31.636 1.270 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -2.956 -31.005 2.110 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -3.841 -34.544 7.398 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -3.231 -33.890 6.990 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -4.726 -34.143 7.282 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -2.131 -26.201 0.063 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -2.405 -27.131 0.138 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -2.494 -25.917 -0.804 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 5.257 -28.110 10.534 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 4.476 -28.643 10.271 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 5.666 -27.850 9.684 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -3.359 -25.516 -2.214 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -3.671 -24.613 -2.428 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -4.180 -26.039 -2.127 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -4.967 -31.113 -0.265 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -5.906 -31.053 -0.037 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -4.943 -31.714 -1.020 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -3.566 -37.332 7.159 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -4.469 -37.452 6.841 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -3.498 -36.369 7.318 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -3.347 -40.664 10.566 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -4.283 -40.748 10.371 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -2.954 -40.336 9.725 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -8.699 -38.873 7.280 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -9.088 -38.959 6.382 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -9.453 -39.022 7.882 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 3.332 -32.207 5.931 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 2.983 -31.842 5.083 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 4.086 -32.776 5.654 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -2.354 -32.457 6.410 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -1.653 -32.284 5.767 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -2.909 -31.648 6.380 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -9.484 -33.422 4.307 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -9.241 -33.983 5.074 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -8.754 -32.778 4.245 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -2.001 -39.492 12.603 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -1.237 -39.174 12.113 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -2.518 -40.003 11.936 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 4.811 -29.999 6.592 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 4.356 -30.826 6.320 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 4.074 -29.370 6.768 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 5.719 -33.447 5.470 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 5.777 -33.754 6.395 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 6.626 -33.469 5.156 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -1.969 -29.546 1.885 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -2.383 -29.095 1.120 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -2.107 -28.922 2.635 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -3.574 -28.604 -0.168 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -3.986 -29.488 -0.204 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -4.197 -28.031 -0.662 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -0.529 -31.447 8.190 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -1.237 -32.017 7.829 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -0.275 -30.875 7.428 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -9.949 -38.796 4.830 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -10.312 -39.209 4.044 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -10.362 -37.909 4.849 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -5.536 -27.209 -1.637 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -6.330 -26.992 -1.097 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -5.892 -27.677 -2.401 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -6.534 -34.583 9.069 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -6.746 -35.279 8.407 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -6.313 -33.801 8.528 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -0.120 -33.670 13.063 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -0.447 -34.501 13.462 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 0.157 -33.936 12.157 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -2.296 -34.369 9.673 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.905 -34.539 8.922 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -2.789 -34.694 10.461 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -1.565 -31.900 10.664 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -1.880 -32.780 10.366 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -1.083 -31.546 9.886 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -7.090 -36.714 7.440 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.640 -36.076 6.936 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -7.585 -37.566 7.363 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -2.498 -39.624 8.207 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -2.872 -38.752 7.941 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -1.992 -39.904 7.441 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 0.287 -34.569 10.500 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 0.820 -34.466 9.705 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -0.636 -34.616 10.168 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -5.665 -37.029 10.042 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -5.773 -36.097 9.772 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -6.080 -37.530 9.325 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -9.509 -24.811 0.694 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -8.880 -25.396 0.233 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -10.343 -25.303 0.676 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 0.462 -27.517 4.054 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.001 -26.770 3.736 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.018 -27.934 4.747 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 6.200 -31.542 8.530 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 5.796 -30.855 7.968 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 6.479 -31.062 9.336 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 3.697 -28.215 3.744 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 3.156 -28.482 4.528 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 4.532 -27.904 4.132 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -14.865 -32.680 6.264 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -15.632 -32.086 6.209 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -15.263 -33.576 6.381 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -8.656 -34.784 10.774 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -9.308 -34.539 10.073 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -7.789 -34.742 10.311 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -14.977 -38.872 8.447 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -14.796 -38.702 9.402 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -15.854 -38.498 8.304 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 2.866 -26.366 0.823 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 2.819 -26.052 1.747 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 3.146 -27.285 0.902 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -8.261 -28.676 7.543 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -8.736 -28.743 8.382 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -7.641 -27.929 7.677 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -7.807 -28.790 4.749 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -6.880 -28.473 4.875 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -8.164 -28.836 5.659 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -5.319 -27.979 5.431 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -4.895 -28.826 5.678 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -4.625 -27.317 5.586 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -3.596 -30.117 5.682 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -4.074 -30.769 5.124 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -3.042 -29.617 5.050 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -7.980 -27.114 -0.301 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -8.144 -27.423 0.612 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -8.364 -27.827 -0.866 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 1.983 -35.298 20.792 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 1.871 -34.630 21.502 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 1.339 -35.984 21.011 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -8.325 -33.917 22.560 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -8.106 -34.517 21.813 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -7.452 -33.543 22.827 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 1.256 -33.644 22.876 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 1.087 -33.533 23.833 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 0.413 -33.399 22.456 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -9.340 -34.063 19.492 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -8.733 -34.690 19.927 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -8.886 -33.842 18.644 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -1.113 -36.719 21.241 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -1.662 -37.519 21.408 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -0.664 -36.913 20.391 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -5.232 -37.839 20.025 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -4.623 -37.060 20.064 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -5.788 -37.665 19.231 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.459 -40.373 21.334 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -7.823 -39.700 21.655 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -8.334 -41.118 21.930 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -6.627 -38.493 22.321 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -6.384 -37.669 22.794 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -6.169 -38.412 21.458 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -7.826 -32.261 14.968 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -6.948 -32.015 15.338 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -7.608 -32.704 14.121 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 5.779 -33.416 21.506 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 5.895 -32.752 20.802 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 5.258 -34.110 21.090 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 0.897 -30.597 22.912 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 0.194 -31.162 23.300 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 1.673 -31.171 22.886 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 0.486 -32.441 15.831 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -0.410 -32.782 15.608 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 1.083 -33.204 15.652 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -1.262 -36.151 13.449 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -1.963 -35.790 12.865 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -1.745 -36.742 14.061 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 3.900 -34.420 27.768 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 3.628 -33.496 27.684 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 3.944 -34.742 26.839 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 6.034 -31.827 19.100 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 6.943 -31.877 18.776 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 5.925 -30.885 19.364 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -1.508 -35.405 26.590 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -1.834 -35.607 25.688 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -2.313 -35.487 27.155 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -5.128 -34.470 17.454 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -4.386 -34.355 18.077 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -5.130 -33.630 16.925 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 3.029 -33.471 12.679 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.605 -33.417 13.551 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.097 -34.431 12.509 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -7.620 -33.864 25.632 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -8.049 -33.037 25.972 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -7.182 -33.584 24.794 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -4.199 -35.202 14.928 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -4.727 -35.130 15.744 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -4.787 -35.664 14.305 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -11.097 -30.528 23.599 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -10.787 -31.099 22.867 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -10.317 -30.466 24.205 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 1.498 -36.321 13.660 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 0.539 -36.385 13.468 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 1.923 -36.333 12.779 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -5.556 -36.037 23.121 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -5.730 -35.091 23.311 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -4.669 -36.192 23.491 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -6.741 -36.757 18.043 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -6.242 -36.000 17.672 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -7.359 -37.011 17.327 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -0.044 -37.382 18.764 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 0.509 -38.188 18.668 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -0.771 -37.522 18.126 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -2.166 -32.767 30.147 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -2.584 -33.328 30.837 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -1.467 -33.343 29.762 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -3.493 -35.780 20.152 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -3.289 -34.931 19.711 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -2.658 -36.021 20.601 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -7.318 -35.616 20.656 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -7.135 -36.039 19.790 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -6.593 -35.924 21.230 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -2.667 -35.604 24.053 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -2.085 -35.650 23.280 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -2.983 -34.672 24.066 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -2.932 -38.758 21.271 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -3.174 -39.464 21.878 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -3.774 -38.514 20.837 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -8.942 -39.917 17.424 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -9.017 -39.929 18.388 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -8.609 -40.790 17.202 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -1.726 -38.754 16.967 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -2.549 -38.952 17.426 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -2.019 -38.449 16.075 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -5.291 -36.789 12.758 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -6.242 -36.830 13.004 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -5.285 -37.063 11.811 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.803 -33.489 18.819 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -3.126 -32.692 18.321 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.853 -33.546 18.580 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -6.841 -39.069 27.260 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -6.731 -39.966 27.579 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -7.185 -39.179 26.346 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 3.766 -34.993 25.106 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 4.524 -34.419 24.842 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 3.455 -35.367 24.275 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -7.830 -33.749 17.271 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -6.864 -33.791 17.401 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -7.951 -33.054 16.590 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -13.272 -34.497 26.986 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -12.409 -34.210 26.607 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -13.632 -35.114 26.317 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -6.745 -32.788 28.688 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -7.462 -32.347 28.187 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -6.019 -32.865 28.047 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 3.894 -30.840 29.668 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 4.478 -30.566 30.406 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.500 -31.683 29.978 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.060 -33.022 21.022 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -1.941 -33.097 20.620 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -0.449 -33.061 20.256 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.054 -36.835 12.644 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -8.335 -36.303 11.879 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -8.892 -37.128 13.054 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 2.840 -31.029 15.156 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 3.486 -31.440 15.770 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 2.040 -31.574 15.257 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -6.907 -33.766 12.914 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -7.554 -34.032 12.235 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -6.992 -34.459 13.610 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 0.744 -39.772 17.674 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -0.145 -39.545 17.329 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 1.084 -40.412 17.045 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -1.214 -32.209 23.635 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -2.100 -32.338 24.037 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -1.342 -32.450 22.696 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 1.703 -35.362 18.065 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 2.053 -35.283 18.981 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 1.091 -36.127 18.113 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -3.384 -34.922 12.111 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -4.057 -35.621 12.261 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -3.682 -34.183 12.675 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -4.424 -32.626 13.471 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -5.281 -32.871 13.059 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -4.633 -32.572 14.433 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 0.956 -33.907 25.765 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 1.667 -34.562 25.703 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 0.157 -34.433 25.970 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -10.980 -33.543 25.946 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -10.538 -34.222 25.395 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -10.241 -33.009 26.306 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -2.161 -33.342 15.519 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -2.692 -32.774 16.129 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -2.755 -34.100 15.319 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -5.116 -33.356 26.514 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -5.931 -33.835 26.240 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -4.555 -33.347 25.689 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -2.919 -38.043 14.648 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -2.613 -38.663 13.939 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -3.728 -37.651 14.285 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -0.020 -30.630 34.720 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -0.734 -31.283 34.905 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 0.237 -30.308 35.592 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 3.326 -33.828 9.840 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 2.946 -33.129 9.255 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 3.210 -33.471 10.741 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -9.548 -35.420 24.469 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -8.807 -35.233 25.077 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -9.305 -34.939 23.648 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -6.304 -36.680 28.508 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -6.412 -37.583 28.125 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -7.194 -36.275 28.411 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -0.317 -34.336 28.901 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.688 -34.820 28.132 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 0.441 -34.887 29.189 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -7.773 -39.486 24.715 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -8.658 -39.074 24.625 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -7.300 -39.210 23.910 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 4.582 -28.609 28.177 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 4.060 -28.783 27.359 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 4.390 -29.384 28.750 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -0.078 -33.308 18.426 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 0.571 -34.037 18.333 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 0.082 -32.750 17.641 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 2.249 -34.465 15.473 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 2.042 -35.196 14.841 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 2.180 -34.887 16.356 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 4.360 -30.966 24.376 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 4.658 -31.890 24.295 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 5.150 -30.439 24.131 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 3.179 -36.013 11.481 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 3.153 -35.415 10.705 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 3.964 -36.551 11.338 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -10.321 -32.340 21.591 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -10.239 -32.670 20.678 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -9.658 -32.860 22.088 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 3.122 -37.449 31.194 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 2.629 -38.269 31.115 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 2.665 -36.832 30.583 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -11.862 -30.976 39.947 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -12.526 -31.675 40.020 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -12.374 -30.144 40.080 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -12.141 -33.864 34.595 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -11.924 -33.776 33.637 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -13.019 -34.274 34.603 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -7.811 -33.898 38.362 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -7.959 -34.287 37.487 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -8.678 -33.501 38.595 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 0.635 -28.782 39.091 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 1.361 -28.132 39.217 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 1.009 -29.614 39.384 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -3.150 -30.264 30.608 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.634 -31.097 30.676 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -3.640 -30.365 29.774 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 4.854 -26.009 38.417 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 4.901 -26.429 37.532 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 5.586 -25.358 38.411 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 5.019 -27.280 35.967 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 5.508 -28.107 36.051 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 5.249 -26.959 35.062 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -0.699 -33.924 33.337 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -1.452 -34.258 32.819 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.112 -33.506 34.115 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -3.939 -35.409 27.865 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -4.347 -34.663 27.393 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -4.696 -35.990 28.092 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -9.910 -30.186 35.594 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -9.742 -30.593 34.721 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -9.019 -30.036 35.962 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -5.166 -33.653 39.066 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -5.264 -33.512 40.011 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -6.089 -33.708 38.735 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -0.968 -26.627 38.630 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -1.837 -26.771 39.073 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -0.493 -27.479 38.757 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -7.208 -32.494 34.967 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -8.012 -32.850 35.402 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -7.466 -32.405 34.038 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -12.459 -26.891 37.028 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -12.651 -27.754 36.585 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -11.798 -27.124 37.718 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -0.410 -28.472 32.951 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -1.375 -28.609 33.009 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -0.037 -29.152 33.549 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 2.157 -35.370 29.627 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.296 -34.586 30.199 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 2.777 -35.228 28.880 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -8.540 -35.196 28.049 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -8.214 -34.674 27.299 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -8.887 -34.531 28.671 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -3.379 -34.220 32.162 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -4.146 -34.548 31.657 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -3.770 -33.874 32.990 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -7.202 -30.000 36.322 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -7.062 -30.911 35.992 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -6.438 -29.501 35.976 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -1.991 -32.478 35.357 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -2.882 -32.581 34.965 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -2.098 -32.818 36.275 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 2.909 -27.204 32.562 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 3.011 -28.185 32.608 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 2.614 -26.953 33.471 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -4.963 -28.315 35.505 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -4.031 -28.071 35.435 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -5.394 -27.842 34.756 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -9.755 -33.051 29.462 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -10.731 -33.126 29.393 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -9.494 -32.559 28.652 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -4.513 -33.378 34.573 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -5.383 -32.939 34.667 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -4.570 -34.140 35.163 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -3.689 -31.626 28.139 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -3.098 -32.057 28.796 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -3.962 -32.355 27.554 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 0.743 -31.986 27.829 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 0.320 -32.670 28.387 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 0.889 -32.438 26.974 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -12.889 -28.462 40.408 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -13.105 -27.694 40.960 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -12.192 -28.131 39.806 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -9.374 -31.095 33.044 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.099 -31.933 32.614 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -8.884 -30.404 32.551 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -3.118 -28.831 32.917 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -3.138 -29.348 32.074 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -3.736 -29.298 33.493 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -8.253 -33.266 31.775 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -8.664 -33.119 30.894 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -7.440 -33.773 31.576 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -6.020 -34.642 30.604 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -6.005 -35.459 30.069 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -6.245 -33.938 29.957 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 4.634 -35.315 31.932 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 5.112 -35.515 32.744 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 4.101 -36.130 31.758 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 3.010 -29.917 32.698 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 3.946 -30.080 32.452 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 2.651 -30.806 32.878 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -8.053 -36.731 38.530 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -7.665 -35.921 38.889 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -8.005 -36.609 37.561 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 2.405 -26.705 35.152 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 1.897 -26.286 35.879 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 3.265 -26.926 35.559 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -2.762 -33.576 37.747 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -3.671 -33.508 38.121 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -2.296 -34.140 38.370 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.514 -29.615 40.374 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.345 -29.819 41.298 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -10.315 -30.146 40.154 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -7.636 -28.609 38.695 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -8.255 -29.045 39.319 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -7.638 -29.193 37.909 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -5.404 -27.220 38.055 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -6.209 -27.660 38.424 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -5.230 -27.703 37.224 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -5.248 -18.618 -17.368 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -5.057 -18.449 -18.297 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -5.223 -19.601 -17.291 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 0.133 -16.760 -14.989 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 0.069 -17.739 -14.973 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 0.908 -16.565 -14.444 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -0.433 -14.594 -16.719 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 0.411 -14.541 -17.183 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -0.303 -15.318 -16.070 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -12.982 -19.537 -17.114 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -12.366 -19.596 -16.355 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -12.612 -20.137 -17.767 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -6.986 -16.413 -14.302 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -6.269 -16.621 -13.656 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -7.568 -17.198 -14.275 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -2.282 -9.737 -14.571 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -1.828 -10.409 -15.126 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -1.945 -9.907 -13.664 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -8.026 -18.589 -17.364 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -8.015 -19.325 -18.002 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -7.077 -18.406 -17.196 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.521 -16.253 -17.336 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -9.105 -17.130 -17.471 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -8.809 -15.615 -17.573 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -3.832 -16.559 -16.270 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -3.389 -16.848 -15.445 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -4.394 -17.327 -16.525 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -5.253 -15.150 -19.424 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -4.342 -15.016 -19.091 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -5.148 -15.226 -20.375 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -9.154 -18.020 -14.869 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -10.009 -18.494 -14.802 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -8.793 -18.300 -15.735 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -16.265 -11.124 -22.038 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -15.401 -10.906 -22.408 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -16.689 -11.655 -22.720 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 3.981 -11.572 -14.743 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 4.135 -10.933 -14.039 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 4.827 -11.632 -15.200 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -1.296 -11.923 -15.997 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -2.187 -11.990 -16.396 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -0.920 -12.816 -16.108 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 2.828 -14.547 -10.446 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 2.787 -15.411 -10.916 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 3.724 -14.239 -10.599 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -3.849 -17.283 -10.352 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -2.913 -17.515 -10.509 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -4.073 -17.736 -9.508 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -9.983 -17.167 -8.901 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -10.930 -17.204 -9.143 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -9.817 -18.021 -8.455 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -2.827 -14.865 -18.115 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -1.906 -14.742 -17.803 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -3.189 -15.561 -17.519 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -5.597 -21.299 -17.567 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -6.431 -21.217 -18.076 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -5.668 -22.154 -17.133 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -7.828 -10.403 -17.598 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -8.783 -10.520 -17.813 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -7.388 -10.430 -18.458 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -12.604 -17.474 -9.796 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -12.294 -18.313 -10.192 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -12.924 -16.948 -10.567 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -6.580 -21.754 -21.443 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -6.702 -21.476 -22.358 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -5.860 -22.394 -21.483 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -1.809 -20.250 -12.214 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -2.277 -20.874 -11.615 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -2.064 -19.376 -11.884 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -11.004 -19.731 -10.344 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -10.195 -19.377 -10.738 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -10.757 -19.900 -9.406 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 0.937 -18.816 -12.137 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.617 -19.080 -13.028 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 0.771 -19.596 -11.588 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -7.798 -20.911 -19.143 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -7.322 -21.143 -19.976 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -8.701 -21.205 -19.298 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.403 -16.859 -13.953 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.573 -16.662 -14.432 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.103 -17.128 -13.061 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -1.352 -17.420 -11.467 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -1.217 -16.446 -11.360 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -0.445 -17.778 -11.563 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 1.338 -12.301 -14.583 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 0.932 -11.850 -15.335 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 2.300 -12.131 -14.689 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -12.165 -12.764 -11.205 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -13.015 -13.167 -10.929 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -12.418 -11.864 -11.511 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -4.541 -14.747 -9.670 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -5.099 -14.926 -8.885 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -4.261 -15.639 -9.968 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 2.909 -16.951 -11.778 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 3.696 -17.475 -11.957 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 2.170 -17.590 -11.865 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -7.283 -14.748 -17.602 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -6.692 -14.909 -18.371 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -6.669 -14.602 -16.860 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -5.481 -14.519 -15.528 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -4.804 -15.150 -15.857 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -6.075 -15.079 -14.978 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -9.668 -7.277 -20.990 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -9.741 -7.496 -21.923 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -10.382 -7.801 -20.562 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 3.223 -8.170 -9.357 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 3.689 -7.519 -9.937 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 3.920 -8.515 -8.791 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -12.174 -20.699 -12.621 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -11.801 -20.420 -11.756 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -12.583 -21.550 -12.437 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -0.343 -19.530 -14.453 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -0.989 -19.840 -13.773 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -0.397 -20.196 -15.150 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 2.848 -4.418 -10.960 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 1.930 -4.657 -10.800 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 2.824 -3.445 -11.088 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -10.463 -10.480 -18.197 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -11.054 -11.261 -18.276 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -10.774 -9.875 -18.903 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.450 -11.169 -9.502 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -1.507 -10.672 -8.658 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -0.753 -11.831 -9.342 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -0.144 -12.343 -12.305 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -0.519 -11.443 -12.319 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 0.420 -12.382 -13.118 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -8.724 -14.800 -8.803 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -8.600 -14.538 -9.737 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -9.182 -15.680 -8.856 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -6.324 -15.571 -7.740 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -7.242 -15.497 -8.073 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -6.429 -15.770 -6.783 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -1.026 -15.440 -5.686 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -0.950 -15.605 -6.633 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -2.000 -15.427 -5.522 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.837 -16.578 -12.746 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.591 -16.869 -11.840 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -4.017 -16.696 -13.265 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -0.798 -20.778 -6.569 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -0.383 -21.487 -6.031 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -0.099 -20.095 -6.646 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -1.086 -14.723 -11.272 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -0.799 -13.986 -11.853 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -0.706 -14.498 -10.407 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.832 -17.929 -7.907 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -4.849 -18.127 -6.952 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -5.371 -17.116 -7.990 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -3.184 -21.418 -10.010 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -3.992 -21.175 -9.509 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -2.723 -22.028 -9.428 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.724 -8.611 -19.807 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -12.403 -9.279 -20.077 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -12.211 -8.002 -19.222 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -12.691 -10.392 -12.530 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -12.133 -9.683 -12.914 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -13.317 -10.619 -13.248 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 1.593 -12.954 -7.115 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 0.916 -13.204 -6.467 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 1.144 -13.034 -7.981 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 3.422 -11.059 -6.686 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 2.772 -11.776 -6.901 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 4.278 -11.449 -6.899 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -12.048 -15.687 -16.590 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -11.146 -15.923 -16.915 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -12.554 -16.506 -16.676 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.564 -7.294 -9.716 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.449 -7.585 -8.801 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.485 -7.541 -9.928 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -8.173 -8.419 -15.669 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -7.781 -7.640 -16.138 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -7.975 -9.173 -16.261 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -4.837 -8.755 -14.796 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -3.954 -9.190 -14.755 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.652 -7.884 -15.172 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 4.713 -6.350 -10.674 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 4.055 -5.624 -10.806 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 5.557 -5.941 -10.881 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -6.268 -11.075 -15.494 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -5.807 -10.218 -15.412 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -6.816 -10.976 -16.300 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -3.846 -12.646 -16.832 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.722 -13.015 -16.620 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -3.485 -13.262 -17.500 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 2.548 -11.026 -4.080 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 1.729 -11.531 -4.181 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 2.868 -10.904 -4.998 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -14.064 -17.656 -2.846 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -14.774 -17.405 -3.445 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -14.480 -18.328 -2.248 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -8.966 -16.151 1.541 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -8.796 -16.775 2.271 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -9.518 -15.454 1.948 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -0.418 -10.059 2.676 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -0.669 -9.337 3.271 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.496 -10.287 2.941 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 6.485 -9.488 5.767 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 6.201 -9.538 6.702 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 5.646 -9.444 5.266 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -1.526 -14.866 -2.694 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -1.696 -13.902 -2.615 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -0.565 -14.951 -2.559 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -2.372 -18.828 -5.550 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -2.122 -18.128 -6.166 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -1.892 -19.622 -5.883 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 0.013 -16.755 -0.359 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -0.718 -16.160 -0.104 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 0.602 -16.196 -0.883 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 0.249 -17.221 -4.013 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 0.684 -16.705 -3.314 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.240 -16.549 -4.537 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -5.277 -10.771 0.133 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -4.907 -10.009 0.624 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -5.935 -10.368 -0.468 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -10.013 -7.862 -4.954 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -10.507 -7.205 -5.451 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -9.511 -8.356 -5.639 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -0.974 -10.615 -4.544 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.707 -10.372 -3.629 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -0.720 -11.557 -4.621 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -0.990 -11.363 0.339 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -1.807 -11.803 0.674 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -0.700 -10.802 1.098 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 0.892 -18.625 -6.322 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 0.705 -18.167 -5.474 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 1.850 -18.703 -6.342 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -2.667 -22.428 -5.038 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -1.730 -22.625 -4.831 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -2.626 -21.974 -5.890 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -5.209 -20.670 -8.201 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -5.803 -20.849 -7.450 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -5.145 -19.695 -8.231 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -13.621 -18.925 1.339 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -13.471 -18.004 1.642 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -12.724 -19.253 1.119 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -11.559 -18.764 -5.852 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -12.399 -18.471 -6.253 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -11.401 -18.119 -5.133 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -2.251 -21.378 2.323 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -2.362 -22.245 1.868 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -1.319 -21.124 2.116 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -11.141 -19.847 0.382 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -10.767 -20.012 -0.490 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -10.801 -20.584 0.930 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -5.088 -18.733 -5.271 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -5.526 -19.593 -5.445 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -4.126 -18.945 -5.281 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -0.622 -9.590 10.262 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 0.257 -9.291 9.927 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -0.640 -10.533 10.063 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -6.459 -22.526 -3.705 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.924 -23.273 -3.318 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -5.546 -22.599 -3.345 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 0.030 -22.579 -4.661 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 0.253 -21.848 -4.044 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.055 -23.369 -4.077 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 0.555 -20.448 -3.016 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 0.874 -20.992 -2.261 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.050 -19.625 -2.943 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 5.058 -10.728 -3.006 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 4.133 -10.891 -3.294 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 5.406 -10.117 -3.661 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 5.120 -11.466 -0.418 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 5.204 -11.239 -1.375 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 6.023 -11.642 -0.137 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -3.227 -10.481 5.564 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -3.559 -9.972 6.345 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -2.943 -11.320 5.933 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 0.221 -13.205 -4.564 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 0.763 -13.622 -3.871 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -0.347 -13.937 -4.891 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 3.246 -8.305 7.165 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 3.373 -7.350 7.105 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 4.084 -8.636 7.576 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 1.234 -14.982 -2.338 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 1.217 -14.172 -1.766 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 2.089 -15.422 -2.100 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 1.237 -22.185 -1.027 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 1.334 -23.145 -1.206 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 1.987 -21.980 -0.428 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.825 -22.128 -0.998 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -1.827 -22.751 -0.245 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -0.886 -22.059 -1.245 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -6.816 -20.789 -5.767 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -6.603 -21.524 -5.141 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -7.614 -20.393 -5.399 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -6.353 -16.346 -5.111 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -6.058 -17.282 -5.037 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -7.196 -16.316 -4.592 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 4.491 -12.260 4.167 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.464 -12.297 4.299 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 4.236 -11.398 4.554 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -7.474 -9.646 -1.242 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -7.738 -10.439 -1.754 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -7.931 -9.752 -0.386 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -4.037 -8.860 -6.848 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -3.151 -9.149 -7.153 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -4.653 -9.491 -7.271 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -1.379 -9.789 -7.132 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -1.325 -10.149 -6.221 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -0.464 -9.476 -7.317 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -3.724 -15.499 -5.699 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -4.577 -15.912 -5.469 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -3.964 -14.573 -5.923 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -4.479 -6.631 -3.188 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.827 -7.148 -3.705 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.347 -6.938 -2.267 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -11.655 -7.331 -2.114 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -12.032 -8.218 -2.079 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -11.445 -7.120 -1.169 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 9.479 -12.764 6.025 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 9.278 -13.161 6.898 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 10.394 -13.045 5.840 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 5.403 -17.859 -0.160 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 6.112 -17.225 -0.290 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 5.846 -18.629 0.245 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 7.437 -19.369 1.189 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 8.328 -18.985 1.066 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 7.372 -19.516 2.166 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 4.812 -15.045 3.816 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 4.538 -14.107 3.852 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 5.785 -15.014 3.936 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 6.706 -10.844 10.153 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 5.979 -11.281 10.657 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 7.438 -11.501 10.176 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 0.638 -13.096 -9.746 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 1.459 -13.630 -9.889 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 0.468 -12.687 -10.622 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 3.388 -16.132 -1.142 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 3.896 -16.941 -0.920 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 3.732 -15.467 -0.538 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -0.529 -24.570 -2.871 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -1.383 -25.012 -2.727 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 0.047 -24.928 -2.177 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 2.249 -10.910 2.890 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 2.927 -11.570 3.129 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 2.295 -10.863 1.911 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -3.095 -8.224 10.172 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -2.233 -8.687 10.159 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -3.257 -8.049 11.121 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -0.535 -8.551 12.825 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -0.658 -8.980 11.951 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 0.351 -8.139 12.763 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -8.015 -8.698 5.257 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -8.370 -7.849 4.890 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -8.819 -9.222 5.468 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -8.049 -10.635 7.820 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -7.573 -9.845 7.537 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -8.871 -10.622 7.283 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -1.914 -8.290 4.655 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.407 -9.127 4.825 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -1.349 -8.190 5.429 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 3.831 -9.706 4.904 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 3.084 -9.785 4.282 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 3.446 -9.260 5.689 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 7.991 -7.430 7.118 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 7.596 -8.155 6.599 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 8.653 -7.052 6.529 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -8.432 -10.424 1.286 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -7.839 -11.139 1.547 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -9.329 -10.811 1.381 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -10.413 -14.357 3.117 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -9.732 -13.969 3.716 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -11.034 -14.805 3.725 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -3.338 -12.193 1.400 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -4.099 -11.906 0.847 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -3.483 -11.755 2.244 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.384 -21.271 1.753 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 1.142 -20.989 1.214 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 0.541 -22.231 1.893 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 0.973 -23.992 1.939 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 1.429 -24.505 2.640 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 1.509 -24.149 1.147 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 4.635 -22.853 3.073 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 4.333 -23.227 3.928 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 5.604 -22.863 3.139 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -9.930 -22.177 1.687 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.796 -23.057 1.270 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -9.292 -22.170 2.433 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -1.694 -23.819 1.257 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -1.943 -24.707 0.900 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -0.767 -23.937 1.555 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.114 -21.632 0.974 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.693 -22.184 1.544 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 3.179 -20.739 1.369 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 1.960 -24.809 -1.235 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 2.680 -24.858 -1.874 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 2.216 -25.452 -0.534 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -10.736 -12.057 1.566 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -10.622 -12.840 2.147 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -11.104 -12.423 0.751 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -10.014 -19.785 -7.793 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -9.389 -20.406 -7.402 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -10.584 -19.503 -7.033 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -3.929 -22.848 -2.705 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -3.245 -22.529 -2.076 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -3.514 -22.720 -3.595 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -2.717 -8.343 -4.468 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -2.162 -9.142 -4.519 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -3.253 -8.373 -5.290 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 2.619 -10.664 0.121 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 2.675 -9.719 -0.062 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 3.540 -10.995 -0.037 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 6.216 -18.457 21.680 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 5.976 -17.843 22.411 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 5.947 -17.976 20.869 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -4.505 -10.477 25.346 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -4.823 -11.320 25.732 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -5.111 -10.319 24.580 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -5.533 -12.480 26.921 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -5.877 -13.363 27.179 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -6.098 -11.856 27.416 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 6.103 -13.896 26.042 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 6.050 -13.937 27.021 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 5.169 -13.827 25.758 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -8.485 -13.538 26.059 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -9.423 -13.503 26.328 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -8.031 -13.931 26.828 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -6.776 -14.673 28.013 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -6.425 -15.555 27.836 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -7.022 -14.701 28.964 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -1.758 -19.364 29.517 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -2.331 -20.063 29.860 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -2.364 -18.593 29.405 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -6.313 -10.050 23.361 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -6.887 -9.257 23.419 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.852 -10.698 22.876 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 6.147 -13.689 14.829 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 5.186 -13.762 14.932 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 6.290 -13.786 13.853 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -6.639 -13.131 24.087 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -7.424 -13.263 24.667 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -5.895 -13.132 24.700 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -4.840 -9.354 27.850 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.698 -9.711 28.158 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -4.722 -9.749 26.960 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -9.120 -12.633 29.080 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -9.802 -12.779 28.396 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -9.429 -13.161 29.839 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -1.643 -15.204 29.823 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -1.322 -14.903 28.943 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -0.819 -15.350 30.341 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -11.024 -8.336 17.709 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -11.726 -7.662 17.800 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -10.945 -8.724 18.605 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -10.093 -9.476 20.109 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -10.195 -9.128 21.022 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -10.065 -10.447 20.230 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 4.691 -9.844 23.982 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 4.809 -8.883 23.884 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.573 -10.166 24.248 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 2.916 -14.782 29.995 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 2.668 -14.014 29.441 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 3.676 -14.457 30.520 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.515 -19.979 25.981 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 5.928 -20.152 25.111 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.870 -20.690 26.559 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -6.978 -10.906 28.791 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -7.111 -10.493 29.677 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -7.776 -11.473 28.676 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -7.165 -12.088 21.661 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -6.978 -12.515 22.537 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -6.965 -12.794 21.004 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -5.000 -10.795 20.546 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -5.766 -11.120 21.067 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -5.264 -9.889 20.274 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -9.835 -12.208 20.910 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -8.952 -12.068 21.310 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -9.796 -13.117 20.561 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -6.707 -14.133 19.946 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.610 -14.520 19.958 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.130 -14.866 20.201 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -1.304 -10.299 14.886 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -2.164 -9.841 14.839 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.759 -9.841 14.221 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.354 -18.601 34.519 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -0.017 -17.733 34.771 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 0.192 -18.658 33.554 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -7.564 -19.454 33.574 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -7.627 -18.498 33.364 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -7.439 -19.480 34.541 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.978 -19.925 36.310 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.011 -19.856 36.161 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -7.103 -19.567 37.197 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 2.507 -21.670 39.013 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 1.914 -21.967 39.742 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 2.202 -22.188 38.231 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -3.658 -20.885 38.447 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -3.117 -20.332 39.022 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -3.884 -20.297 37.692 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 3.493 -23.069 34.603 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 3.758 -22.455 33.887 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 4.261 -23.659 34.709 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -4.184 -19.367 36.187 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -3.798 -20.036 35.574 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -3.915 -18.508 35.802 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -3.348 -21.449 34.657 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -2.974 -22.088 35.293 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -4.007 -21.974 34.147 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -0.664 -15.937 35.029 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -0.268 -15.559 35.821 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -0.551 -15.229 34.344 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 2.500 -26.805 39.507 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 3.389 -26.558 39.146 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 2.444 -26.327 40.342 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -5.754 -22.433 39.383 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -5.630 -23.246 38.863 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -4.974 -21.887 39.161 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -7.239 -10.475 31.458 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -7.077 -11.319 31.930 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -7.664 -9.915 32.113 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -3.338 -27.050 39.872 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -4.046 -27.155 39.201 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -3.813 -26.912 40.696 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.109 -19.009 34.698 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 2.145 -18.862 34.628 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.251 -19.207 35.644 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -2.824 -19.222 33.022 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -3.695 -19.354 32.576 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -2.713 -20.032 33.564 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -0.131 -14.039 33.131 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 0.145 -14.674 32.438 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 0.015 -13.164 32.722 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -5.235 -20.088 32.185 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -5.183 -21.041 32.390 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -6.103 -19.816 32.541 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 6.060 -13.966 28.831 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 6.797 -13.324 28.919 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 5.600 -13.916 29.698 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 3.287 -7.476 30.244 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 3.253 -8.461 30.168 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 3.563 -7.322 31.154 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -6.000 -24.602 37.582 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -5.787 -25.519 37.869 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -5.504 -24.492 36.762 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 4.476 -17.123 30.952 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 5.093 -17.109 30.193 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 3.761 -16.528 30.681 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -5.259 -22.695 33.117 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -5.068 -23.288 32.358 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -6.240 -22.725 33.208 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 1.763 -22.920 36.708 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 1.493 -23.846 36.897 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.352 -22.999 35.919 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -8.887 -22.024 36.237 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -8.699 -22.521 37.062 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -8.221 -21.304 36.236 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -7.927 -22.289 33.591 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.945 -21.340 33.362 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.383 -22.335 34.450 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.825 -22.695 40.971 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 0.292 -22.705 41.770 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 0.257 -23.141 40.298 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -0.320 -21.076 36.162 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -0.027 -20.335 35.602 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 0.489 -21.611 36.298 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -2.261 -22.793 37.013 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -1.516 -22.223 36.709 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -2.775 -22.214 37.609 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -5.120 -15.243 33.505 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -4.645 -15.096 32.653 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -4.489 -15.765 34.042 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.490 -11.794 31.556 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 0.072 -10.914 31.580 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 0.346 -12.096 30.641 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 4.648 -21.523 32.616 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 4.877 -20.608 32.885 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 4.580 -21.471 31.647 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -3.214 -17.057 34.688 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -2.335 -16.655 34.854 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -3.046 -17.715 33.980 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 3.207 -12.005 32.178 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 2.232 -12.071 32.160 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 3.400 -11.230 31.616 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 2.452 -12.301 28.639 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 2.725 -12.270 27.714 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 1.493 -12.081 28.618 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 0.656 -15.764 31.151 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 1.521 -15.541 30.735 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 0.739 -16.701 31.397 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -4.004 -14.732 31.056 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -3.084 -14.835 30.723 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -4.325 -13.924 30.616 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -5.021 -12.263 30.227 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -5.706 -11.861 29.653 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -5.496 -12.451 31.066 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -7.421 -16.666 33.121 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -6.583 -16.213 33.368 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -8.119 -16.031 33.376 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -1.010 -9.555 30.443 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -1.961 -9.718 30.651 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -1.032 -8.789 29.834 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -7.419 -15.124 30.712 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -8.391 -14.968 30.718 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -7.296 -15.881 31.317 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -10.518 -24.679 39.376 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -11.133 -24.282 38.746 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -9.670 -24.208 39.213 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -2.948 -12.321 28.361 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -3.499 -12.341 29.165 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -3.590 -12.366 27.635 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 3.571 -10.195 30.139 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 4.536 -10.257 29.934 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.172 -10.926 29.624 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -3.411 -17.212 29.421 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -4.162 -16.960 29.974 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -2.798 -16.448 29.488 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -0.462 -18.455 31.853 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -0.635 -18.736 30.937 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -1.315 -18.623 32.314 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 4.538 -17.503 26.271 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 3.572 -17.681 26.235 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 4.945 -18.400 26.226 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -3.697 -9.810 30.394 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -4.005 -9.477 29.530 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -4.168 -10.654 30.505 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -6.570 -13.034 32.350 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -6.092 -13.549 33.030 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -6.950 -13.719 31.760 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 5.225 -18.826 32.976 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 4.476 -18.778 33.615 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 4.954 -18.224 32.245 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 3.621 -19.765 37.343 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 3.124 -20.436 37.865 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 3.958 -19.153 38.008 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 5.061 -21.571 40.042 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 4.157 -21.647 39.664 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 4.947 -21.783 40.973 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 5.482 -26.624 33.371 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 4.625 -26.817 32.944 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 5.735 -25.756 33.019 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -8.224 -23.350 38.584 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -7.602 -23.965 38.136 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -7.646 -22.829 39.180 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.844 -23.922 39.198 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.866 -24.898 39.122 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -1.332 -23.614 38.411 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 6.916 -24.198 37.993 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 6.936 -23.258 38.272 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 7.839 -24.386 37.730 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 6.040 -24.037 35.361 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 6.022 -24.091 36.337 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 6.835 -24.561 35.111 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 1.251 -25.595 37.375 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.774 -25.981 38.107 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 0.327 -25.832 37.597 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -0.272 -11.700 28.857 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -0.508 -10.866 29.319 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -1.141 -12.071 28.577 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -11.147 -8.407 -13.690 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -11.140 -8.397 -14.672 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -11.247 -7.472 -13.443 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -10.054 3.136 -13.099 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -9.952 2.197 -12.816 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -9.186 3.525 -12.939 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -7.108 -8.438 -13.138 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -7.638 -8.418 -13.967 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -6.192 -8.565 -13.450 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -13.380 3.501 -9.794 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -13.742 2.586 -9.857 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -13.108 3.710 -10.721 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -7.157 -6.437 -17.183 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -7.657 -6.171 -17.989 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -6.444 -5.799 -17.130 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -1.615 -9.901 -11.902 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -1.569 -10.343 -11.021 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -1.606 -8.943 -11.687 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -9.642 0.521 -12.324 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -9.307 0.230 -11.445 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -8.863 0.432 -12.917 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -12.630 3.792 -12.353 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -12.912 3.956 -13.265 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -11.678 3.586 -12.435 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -13.579 -2.537 -12.199 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -13.116 -1.669 -12.271 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -13.729 -2.804 -13.127 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -8.795 -0.055 -9.772 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -9.532 0.532 -9.500 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -8.427 -0.381 -8.925 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -14.109 0.973 -10.308 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -14.852 0.356 -10.127 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -13.480 0.443 -10.842 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -5.787 -3.087 -9.787 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -5.976 -2.154 -9.949 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.190 -3.080 -9.008 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 2.499 -1.731 -11.286 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 2.406 -1.318 -12.150 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 2.640 -0.996 -10.683 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -12.358 -6.665 -17.869 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -11.616 -6.192 -18.267 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -11.933 -7.271 -17.219 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.968 1.413 -8.861 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -11.624 1.888 -9.389 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -10.953 1.898 -8.004 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -10.864 -1.143 -7.745 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -11.105 -0.284 -8.144 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -9.943 -1.012 -7.434 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -7.389 0.587 -13.940 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.501 0.954 -13.853 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -7.413 0.233 -14.837 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -6.876 -5.853 -12.113 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -7.016 -6.751 -12.475 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -6.035 -5.561 -12.521 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -3.761 -4.892 -10.626 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -4.513 -4.300 -10.442 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -3.848 -5.093 -11.578 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -6.354 -5.198 -8.048 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -6.452 -4.721 -8.892 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -5.438 -4.987 -7.765 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.665 -7.132 -11.300 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -2.175 -6.431 -10.863 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -0.808 -7.149 -10.808 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -3.895 -4.008 -7.976 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -3.480 -4.427 -8.759 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -3.186 -3.973 -7.322 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -8.696 -9.147 -6.992 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -8.746 -9.514 -7.892 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -7.803 -8.729 -6.950 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -14.701 -5.446 -17.022 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -14.023 -5.959 -17.523 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -14.216 -5.104 -16.260 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -13.246 1.368 -14.602 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -13.494 0.883 -15.412 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -12.746 2.148 -14.931 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -4.408 -5.205 -13.303 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.296 -4.512 -13.965 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -3.766 -5.906 -13.577 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -8.348 -5.478 -19.460 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -8.300 -4.727 -20.058 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -8.782 -6.184 -19.994 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -2.530 -7.035 -13.931 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -2.273 -7.897 -14.311 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -2.104 -7.027 -13.047 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 1.340 -9.256 -7.601 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 1.943 -9.821 -7.087 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 1.900 -8.912 -8.326 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -11.778 3.121 2.460 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -12.260 3.884 2.128 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -11.606 3.331 3.382 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -9.199 -0.010 0.645 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -8.653 -0.695 1.067 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -8.618 0.360 -0.053 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -5.831 -5.945 2.688 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -5.188 -6.011 3.424 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -6.307 -6.804 2.710 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -12.429 -2.295 -0.322 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -11.624 -2.124 -0.850 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -13.159 -2.160 -0.956 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -5.929 -1.563 -1.462 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -5.223 -1.443 -0.795 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -5.679 -2.397 -1.927 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -8.711 -6.356 4.114 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -8.617 -5.636 3.464 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -9.644 -6.293 4.408 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -8.034 -4.380 2.137 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -7.809 -3.465 1.860 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -7.177 -4.762 2.423 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -11.419 6.742 -7.197 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -12.088 6.528 -7.888 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -11.064 7.593 -7.470 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -4.271 -8.784 1.763 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -3.681 -8.651 2.514 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -5.172 -8.642 2.135 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -7.314 0.782 -1.222 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -7.529 1.221 -2.077 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -6.817 -0.025 -1.486 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -4.518 -1.027 0.900 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -3.578 -0.969 1.100 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.838 -0.095 0.966 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.814 -8.582 2.714 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -7.454 -9.040 2.128 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -7.189 -8.696 3.610 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -3.959 -8.998 7.675 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.687 -8.707 8.574 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.717 -8.418 7.455 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -6.490 -7.582 -6.765 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -6.415 -6.756 -7.291 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -5.581 -7.954 -6.772 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -7.133 -1.997 1.039 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.238 -1.718 1.318 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -7.094 -1.965 0.066 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -6.920 -6.432 -4.350 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -6.052 -6.492 -3.888 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -6.786 -6.944 -5.174 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -4.041 -6.451 4.790 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -3.629 -5.701 5.235 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -3.304 -7.086 4.656 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -7.981 -3.532 -6.534 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -7.344 -4.171 -6.910 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -8.645 -4.089 -6.092 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -5.654 1.420 0.887 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -6.129 2.048 1.437 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -6.231 1.306 0.100 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -7.924 1.880 -3.649 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -7.797 1.602 -4.578 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -8.805 2.319 -3.649 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -5.611 -5.532 -0.042 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -4.926 -6.194 -0.299 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -5.590 -5.538 0.937 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -1.498 -7.788 -1.996 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -0.888 -8.549 -1.964 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -1.839 -7.795 -2.909 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -11.099 2.663 -6.429 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -11.249 3.619 -6.495 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -10.777 2.539 -5.511 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -8.307 -5.776 -0.216 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -7.337 -5.891 -0.320 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -8.391 -5.219 0.589 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -7.229 1.537 -6.330 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -6.516 2.118 -5.973 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -7.586 2.035 -7.075 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -8.199 -0.890 -7.234 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -7.682 -0.228 -6.725 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -7.936 -1.755 -6.848 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -5.759 3.380 -4.988 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -5.190 4.110 -4.724 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -6.251 3.155 -4.180 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -5.961 -7.490 6.595 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -5.396 -7.037 5.935 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.653 -7.933 6.053 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 1.946 -7.640 12.043 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 1.711 -7.426 11.128 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 2.572 -8.394 11.956 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -10.868 -7.274 12.084 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -10.095 -7.708 11.664 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -10.474 -6.563 12.633 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -5.697 -5.989 10.649 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -6.367 -6.280 9.998 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -4.950 -6.586 10.502 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -6.025 -4.069 12.598 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -5.885 -4.714 11.862 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -6.885 -3.656 12.391 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -13.191 6.170 -9.140 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -13.236 5.223 -9.384 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -13.684 6.618 -9.836 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -11.570 1.403 0.328 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -10.740 0.879 0.405 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -11.573 1.964 1.136 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 5.788 -7.429 12.466 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 6.599 -7.945 12.266 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 5.703 -6.827 11.707 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -10.927 -6.445 0.285 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -9.962 -6.293 0.291 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -11.234 -6.070 1.138 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -11.876 -2.325 2.286 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -12.090 -2.332 1.319 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -11.031 -1.861 2.337 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 5.493 -9.167 8.358 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 5.872 -9.905 8.887 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 5.794 -8.358 8.834 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -11.337 -6.422 4.927 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -11.512 -5.881 4.126 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -12.042 -7.100 4.912 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 6.773 -7.153 9.597 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 7.284 -7.102 8.757 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 7.378 -7.609 10.217 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -3.800 -7.415 -0.618 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -3.816 -7.980 0.182 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -2.882 -7.515 -0.966 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -0.081 -10.165 -1.989 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 0.859 -10.398 -2.017 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -0.399 -10.555 -1.145 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 1.091 -12.864 -0.683 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 0.266 -12.522 -0.280 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 1.770 -12.214 -0.414 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -5.239 -4.057 -2.327 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -4.917 -4.792 -2.882 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -5.393 -4.472 -1.453 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -7.614 -7.071 8.835 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -8.510 -6.919 8.466 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -7.037 -7.136 8.044 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -7.983 -7.709 13.498 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -8.430 -6.840 13.387 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -8.013 -8.108 12.602 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 3.629 -6.986 14.151 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 2.870 -7.057 13.538 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 4.411 -7.083 13.571 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 5.098 -4.719 22.450 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 4.839 -4.751 21.500 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 5.956 -4.231 22.450 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -1.237 -5.483 21.859 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -0.615 -5.525 22.616 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -1.310 -6.418 21.562 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -5.440 -6.005 18.338 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -6.086 -5.311 18.146 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -4.571 -5.567 18.191 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 1.306 -4.288 19.275 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 1.366 -3.884 20.174 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 0.417 -4.041 18.969 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 1.927 -1.281 24.545 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 2.586 -0.599 24.375 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 2.387 -2.121 24.318 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.369 -3.238 21.756 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 0.553 -3.058 22.259 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 2.055 -3.338 22.443 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 0.629 -10.625 21.485 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 1.057 -11.282 20.907 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 1.132 -9.808 21.334 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -3.340 -9.240 22.218 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -4.009 -8.523 22.320 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -3.840 -9.975 21.814 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -2.845 -3.344 22.402 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -2.404 -4.207 22.259 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -2.161 -2.799 22.842 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 3.582 -7.431 16.814 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 3.529 -7.089 15.892 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 3.360 -8.365 16.730 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 0.152 -2.395 26.338 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.286 -1.803 26.990 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 0.787 -1.812 25.873 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -5.665 -8.155 19.922 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -5.512 -7.877 20.853 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -5.519 -7.326 19.402 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 0.613 -5.773 23.907 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 0.728 -5.455 24.826 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 1.415 -5.471 23.452 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -3.997 -5.290 14.063 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -4.691 -5.760 14.584 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -4.508 -4.760 13.419 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -7.447 -3.415 19.701 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -6.786 -3.281 18.982 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -7.240 -2.725 20.343 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -0.545 -2.345 23.609 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -0.624 -2.632 24.538 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 0.145 -1.658 23.635 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -8.641 -2.824 12.553 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -8.771 -2.792 13.526 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -9.094 -2.038 12.227 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -12.853 -6.199 17.599 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -13.671 -6.512 17.159 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -12.357 -5.739 16.879 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -12.604 -6.234 10.208 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -12.001 -6.555 10.909 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -12.064 -6.247 9.408 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -0.796 -8.041 18.446 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 0.124 -7.708 18.538 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -1.143 -7.569 17.682 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -9.351 -4.123 17.847 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -10.198 -4.274 18.319 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -8.736 -3.824 18.552 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -5.717 -3.214 17.605 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -4.784 -3.515 17.682 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -5.791 -2.905 16.678 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 1.491 -7.929 21.597 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 1.923 -7.546 20.813 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 0.534 -7.897 21.380 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.070 -2.539 14.941 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -5.924 -3.185 14.217 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -5.775 -1.699 14.570 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -8.316 -6.372 16.640 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -8.803 -5.588 16.974 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -8.213 -6.945 17.438 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -7.721 -5.400 21.634 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -7.702 -4.852 20.825 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -6.938 -5.097 22.141 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -1.778 -5.055 15.592 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -2.577 -5.120 15.018 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -1.059 -4.889 14.978 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -3.138 -7.664 12.911 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -2.173 -7.804 13.031 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -3.299 -6.767 13.270 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -3.268 -4.449 17.781 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -2.626 -4.196 18.485 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -2.696 -4.692 17.017 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -5.346 -4.516 22.852 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -5.205 -4.667 23.816 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -4.572 -3.976 22.582 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -3.887 -9.502 14.824 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -4.476 -9.073 15.484 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -3.838 -8.853 14.086 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -8.731 -3.338 15.272 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -7.804 -3.035 15.375 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -9.026 -3.522 16.193 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 3.023 -3.728 23.906 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 3.804 -4.090 23.418 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 3.046 -4.187 24.763 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -10.397 -6.261 21.512 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -9.495 -5.901 21.602 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -10.799 -5.722 20.805 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -1.516 -7.405 28.800 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -1.351 -6.676 29.432 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -2.253 -7.081 28.243 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -7.793 -7.780 23.137 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -7.921 -6.939 22.651 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -8.686 -8.193 23.137 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 1.574 -4.716 26.376 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 1.586 -5.000 27.320 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 1.062 -3.874 26.388 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -5.167 -7.254 22.446 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -6.012 -7.484 22.890 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -5.091 -6.285 22.568 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -4.631 -5.098 25.431 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -4.224 -5.896 25.831 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -4.577 -4.435 26.123 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 0.380 -7.568 26.877 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 0.999 -7.004 27.373 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -0.380 -7.672 27.487 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 1.441 -5.849 28.874 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 2.175 -6.318 29.321 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 0.759 -5.757 29.573 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -2.371 -8.857 24.724 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -2.641 -8.855 23.781 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -2.959 -9.529 25.133 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -3.446 -7.220 26.749 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -4.001 -7.896 27.195 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -3.007 -7.712 26.024 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 1.902 -8.962 9.486 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 2.654 -9.273 10.036 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 2.296 -8.819 8.601 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -1.520 -3.772 19.728 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -1.877 -3.047 20.262 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -1.349 -4.485 20.382 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 -1.163 -0.631 28.013 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 -2.103 -0.488 27.855 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 -0.961 -0.072 28.770 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 8.150 -12.223 28.997 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 8.454 -12.450 28.088 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 8.940 -12.316 29.540 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 1.721 -6.968 18.865 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 1.601 -5.999 18.992 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 2.442 -7.035 18.204 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -11.545 -4.682 19.511 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -12.206 -4.089 19.887 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -12.061 -5.270 18.912 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 3.348 -6.621 25.470 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 3.822 -6.895 26.294 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 2.661 -6.008 25.789 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 3.840 -9.531 11.383 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 4.635 -9.101 11.735 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 4.034 -10.501 11.471 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -11.717 -4.834 15.569 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -12.529 -4.432 15.181 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -10.997 -4.431 15.077 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 -1.160 -8.076 21.120 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 -1.177 -8.190 20.139 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 -1.913 -8.624 21.439 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 -8.134 -8.122 18.685 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 -8.868 -8.536 19.194 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 -7.371 -8.157 19.296 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -5.412 -8.590 16.904 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -5.582 -7.739 16.449 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -5.527 -8.381 17.845 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 -9.328 -5.360 13.399 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 -9.213 -4.608 12.784 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 -9.075 -4.992 14.269 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -6.087 -6.591 15.145 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -6.825 -6.313 15.732 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -6.536 -7.017 14.386 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 6.198 -10.277 29.471 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 6.521 -9.554 28.896 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 6.862 -10.985 29.360 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 -1.309 -4.331 32.997 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 -1.851 -4.584 33.752 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 -1.121 -3.397 33.142 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 -0.468 -5.956 30.924 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -0.346 -6.775 31.420 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 -0.813 -5.320 31.591 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 4.554 -7.157 27.793 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 4.159 -7.239 28.682 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 5.432 -7.576 27.881 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 7.443 -29.324 5.949 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 8.048 -30.087 5.816 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 6.547 -29.725 5.969 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.606 -31.019 5.567 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 9.607 -31.505 6.428 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 10.129 -31.575 4.983 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.599 -30.086 10.463 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 9.497 -29.180 10.112 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 8.698 -30.330 10.754 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 5.637 -34.135 8.221 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 4.800 -34.226 8.719 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 5.887 -33.185 8.348 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 2.520 -25.704 3.509 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 3.030 -26.524 3.680 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 2.855 -25.065 4.196 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 6.399 -27.941 8.043 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 6.935 -28.363 7.334 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 5.477 -28.150 7.796 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 12.244 -30.480 11.113 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 12.429 -31.290 10.636 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 11.287 -30.319 10.953 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 4.863 -26.501 5.672 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 4.335 -26.966 6.350 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 4.456 -25.590 5.633 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 8.149 -24.623 18.778 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 7.265 -25.051 18.691 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 8.778 -25.339 18.588 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.243 -34.902 7.960 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 7.298 -34.683 8.113 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.255 -35.859 7.882 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 6.828 -30.324 10.934 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.213 -30.807 11.522 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 6.466 -29.417 10.907 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.951 -27.483 9.559 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.988 -26.507 9.681 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.139 -27.626 9.043 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 11.820 -24.799 8.190 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 11.192 -24.455 7.522 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 12.664 -24.379 7.954 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 9.755 -25.411 4.603 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 9.341 -25.441 3.734 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.834 -26.360 4.865 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 9.745 -28.066 5.134 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 8.839 -28.346 5.378 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 10.277 -28.865 5.259 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 12.317 -29.984 21.718 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.326 -30.563 22.513 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.931 -30.430 21.094 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 9.782 -30.254 23.942 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 9.938 -29.395 23.519 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 10.660 -30.688 23.935 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.722 -31.522 26.742 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.515 -31.278 27.276 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.296 -32.233 27.259 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 4.365 -31.168 12.017 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 3.906 -30.777 11.247 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 3.829 -31.962 12.241 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 14.147 -31.382 20.206 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 15.054 -31.551 20.478 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 14.088 -31.759 19.323 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 12.194 -31.523 24.027 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.764 -32.403 24.073 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.583 -31.404 24.922 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.778 -33.853 24.548 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 11.051 -34.619 23.993 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 10.845 -34.183 25.452 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.202 -29.412 27.704 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.459 -29.908 28.096 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.718 -30.094 27.224 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 7.279 -31.723 27.170 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 7.646 -31.961 26.285 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 6.354 -31.505 26.991 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 11.109 -27.561 19.975 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 10.879 -27.371 20.902 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 11.502 -28.444 20.007 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 10.878 -32.971 28.330 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 10.423 -32.125 28.467 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.149 -33.633 28.335 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.349 -33.989 28.428 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 7.615 -34.434 28.900 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.911 -33.268 27.940 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.381 -32.427 24.786 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.691 -31.560 24.430 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.134 -33.032 24.617 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 5.965 -34.530 29.671 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 5.502 -34.866 30.469 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 5.271 -34.527 28.978 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.748 -26.456 14.323 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 13.674 -27.248 13.750 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.528 -25.722 13.737 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 15.363 -25.208 28.977 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 14.772 -25.247 29.749 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 15.552 -26.140 28.775 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.954 -25.798 17.859 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.890 -25.680 17.570 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 11.015 -26.437 18.608 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 4.603 -32.402 16.735 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 5.045 -32.220 17.591 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 4.416 -33.350 16.761 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 9.747 -25.843 15.273 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 10.448 -25.940 14.604 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.215 -25.927 16.127 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.426 -32.426 14.939 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 8.960 -32.035 14.246 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 7.514 -32.128 14.737 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 5.908 -31.487 14.373 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 5.293 -31.444 13.619 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 5.368 -31.838 15.105 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.922 -27.396 30.904 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.268 -27.959 31.374 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 10.506 -28.024 30.470 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 3.098 -33.164 31.016 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 2.548 -32.864 31.774 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 3.771 -33.747 31.425 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.431 -25.407 16.825 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.518 -25.887 15.970 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.302 -25.031 16.973 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 9.554 -32.479 7.860 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.405 -32.076 8.725 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 9.154 -33.375 7.939 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 5.811 -33.382 24.224 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 5.835 -33.397 23.238 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 6.721 -33.122 24.478 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.061 -30.713 28.946 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.473 -30.252 29.568 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.443 -31.115 28.287 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.739 -30.582 28.338 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.751 -29.604 28.235 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 15.559 -30.780 28.798 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.281 -24.048 24.654 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 9.583 -24.504 24.138 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.824 -23.595 23.972 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 11.015 -27.858 22.799 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.640 -27.468 23.420 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 11.514 -28.604 22.389 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 14.879 -27.854 28.111 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 15.157 -27.476 27.244 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 13.950 -27.557 28.212 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 5.571 -30.125 31.729 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 6.001 -31.014 31.647 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 6.308 -29.530 31.966 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 8.330 -25.385 34.697 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.885 -25.248 35.487 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 8.693 -24.749 34.038 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.537 -31.860 31.411 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.548 -31.497 30.509 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 10.422 -32.272 31.511 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.345 -26.099 30.722 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 12.916 -26.419 29.893 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.696 -26.899 31.129 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 1.507 -32.286 33.074 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 1.073 -31.608 33.629 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 0.852 -33.021 33.044 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.284 -28.235 34.638 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.027 -27.307 34.478 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 8.949 -28.176 35.353 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 12.032 -32.857 30.850 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.766 -33.056 29.931 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.847 -33.349 30.973 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.320 -29.332 32.139 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.679 -30.234 32.232 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 8.256 -29.001 33.069 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 11.699 -36.075 23.245 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 11.174 -36.777 22.847 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 12.603 -36.276 22.984 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 9.524 -24.272 36.990 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 9.353 -23.384 36.582 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 10.374 -24.166 37.430 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 6.862 -32.424 31.289 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.836 -32.448 31.396 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 6.668 -33.159 30.677 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 5.847 -23.942 32.629 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 5.530 -23.025 32.462 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 6.043 -23.951 33.590 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 10.054 -27.570 36.663 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.822 -27.966 37.084 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 9.744 -26.914 37.296 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 13.805 -13.444 3.599 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.299 -12.724 3.215 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 13.284 -13.709 4.388 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 11.131 -20.840 1.191 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 11.862 -20.864 1.841 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 10.722 -19.955 1.323 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 8.664 -17.267 3.603 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 8.210 -18.135 3.772 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 7.998 -16.600 3.850 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 13.440 -23.111 6.457 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 14.300 -23.375 6.113 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 12.877 -23.025 5.659 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 12.484 -17.221 2.143 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 13.454 -17.374 2.161 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 12.216 -17.282 3.087 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 15.872 -14.836 2.485 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 16.529 -14.138 2.414 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 15.101 -14.398 2.918 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.318 -22.171 8.676 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.378 -21.234 8.382 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 9.574 -22.686 7.874 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 11.874 -14.127 5.464 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.278 -14.485 4.769 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 11.711 -14.705 6.239 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 10.052 -18.335 1.476 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 9.609 -17.978 2.275 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 10.929 -17.895 1.474 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 11.476 -14.922 1.139 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 11.908 -15.764 1.405 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 12.034 -14.583 0.435 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.809 -19.904 7.258 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.724 -20.073 6.948 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.241 -20.203 6.509 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.448 -12.817 10.819 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.242 -13.267 11.200 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 7.708 -13.100 11.407 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 6.330 -15.338 8.520 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 5.649 -16.042 8.531 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 5.896 -14.596 8.082 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 7.159 -12.034 4.837 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 8.040 -12.246 5.233 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 7.021 -11.091 5.066 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 10.906 -15.633 7.567 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 10.748 -16.451 8.085 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 10.184 -15.030 7.850 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.794 -22.679 4.249 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.438 -23.387 3.689 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 12.405 -22.180 3.649 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 10.179 -15.008 3.538 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 9.869 -15.936 3.505 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 10.569 -14.853 2.647 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 14.930 -20.887 0.538 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 14.181 -20.876 -0.103 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 15.695 -21.109 0.001 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.596 -22.944 3.372 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.900 -22.745 2.455 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 7.870 -22.157 3.889 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.730 -20.958 -1.044 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 12.101 -20.951 -0.290 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.173 -21.104 -1.813 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 9.648 -17.074 11.728 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 9.970 -17.360 10.849 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 8.741 -16.731 11.548 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 14.027 -19.088 4.523 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 13.232 -18.534 4.677 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 14.624 -18.509 4.005 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 7.508 -14.708 4.162 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.312 -13.782 4.411 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 8.474 -14.703 3.984 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 12.452 -15.115 9.889 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 12.194 -15.194 8.956 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 12.938 -15.948 10.075 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 8.801 -14.038 8.392 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 8.002 -14.603 8.438 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 8.757 -13.496 9.210 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.201 -23.438 6.395 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.695 -22.917 5.733 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.836 -24.192 5.876 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 7.947 -8.755 11.483 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.671 -9.569 11.011 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 8.375 -9.084 12.301 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 7.259 -15.975 11.122 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.919 -15.172 11.574 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.032 -15.833 10.183 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.310 -17.896 9.065 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.884 -18.495 8.414 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 11.061 -18.423 9.412 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 11.689 -17.699 4.726 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 11.128 -18.494 4.556 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 11.271 -17.272 5.489 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.515 -20.510 6.908 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.079 -20.024 6.280 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.882 -21.418 6.906 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 13.402 -21.110 2.778 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 14.034 -21.053 2.022 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 13.685 -20.387 3.382 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 15.185 -17.475 2.523 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 15.474 -16.530 2.533 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 15.795 -17.901 1.910 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.491 -24.773 9.671 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.245 -23.843 9.536 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 10.409 -24.826 9.340 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 11.622 -26.857 10.155 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 11.859 -26.281 9.403 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 10.772 -27.262 9.888 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 12.176 -19.816 9.692 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 12.284 -20.212 8.806 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 11.764 -20.532 10.229 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 12.914 -28.100 12.263 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 12.635 -27.658 11.433 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 12.823 -29.058 12.059 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 11.285 -25.857 12.793 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 11.177 -25.889 11.824 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 11.749 -26.690 13.003 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 10.551 -20.118 4.255 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 9.595 -20.312 4.403 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 10.974 -20.993 4.269 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 8.614 -21.959 1.083 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 8.117 -21.139 0.905 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 9.553 -21.684 1.040 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 6.360 -11.143 13.864 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 5.819 -11.340 13.066 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 6.476 -12.015 14.288 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.848 -16.503 22.519 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.306 -15.760 22.842 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 8.786 -17.167 23.230 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 11.388 -13.533 19.300 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 11.205 -13.294 18.368 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 10.878 -14.348 19.444 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 7.902 -16.357 18.061 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.386 -17.123 17.683 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 8.503 -16.018 18.761 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.415 -19.566 20.869 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 10.806 -18.845 20.330 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 10.844 -20.378 20.531 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 7.794 -20.219 20.325 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 7.242 -19.602 20.854 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 8.714 -19.913 20.486 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.201 -24.855 22.961 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.327 -24.214 22.229 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 7.461 -24.471 23.489 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 9.640 -20.754 23.263 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 10.277 -21.487 23.140 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 9.874 -20.117 22.557 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.465 -11.372 22.448 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 10.247 -11.255 21.863 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 9.849 -11.421 23.354 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 10.666 -12.765 16.752 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.889 -13.302 16.476 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.294 -11.869 16.901 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 11.921 -16.049 16.907 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 12.777 -16.381 16.539 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 11.936 -15.101 16.720 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 14.065 -11.672 21.994 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 14.589 -11.604 22.795 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 14.564 -12.307 21.432 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 9.528 -15.946 26.779 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 9.005 -16.667 27.186 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 10.136 -16.401 26.188 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 14.278 -16.933 15.955 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 14.650 -17.753 15.620 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 15.038 -16.309 15.961 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 6.992 -14.564 23.403 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 6.918 -14.139 24.279 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 6.431 -15.369 23.483 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 11.130 -9.535 14.642 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 11.576 -8.965 14.007 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 10.192 -9.551 14.336 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 8.132 -13.366 21.093 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 7.690 -13.804 21.852 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 8.601 -12.603 21.500 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 11.677 -22.621 22.759 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 12.618 -22.422 22.844 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 11.511 -22.591 21.789 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.544 -18.238 16.951 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.982 -17.890 16.138 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.235 -18.171 17.643 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 9.518 -15.498 20.106 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 9.114 -14.632 20.347 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 9.414 -16.040 20.929 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 10.723 -21.799 10.985 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 10.365 -22.350 11.708 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 10.136 -21.987 10.227 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 6.427 -19.412 18.010 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 6.011 -18.641 18.447 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 6.882 -19.882 18.741 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.687 -23.534 12.994 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 8.880 -24.081 13.109 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.415 -24.190 12.987 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 13.620 -17.560 10.363 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 13.132 -18.374 10.114 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 14.270 -17.861 11.001 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 7.954 -18.112 27.547 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 7.211 -17.639 27.993 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 7.887 -19.019 27.875 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 10.053 -23.148 17.520 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 10.601 -23.952 17.435 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 9.219 -23.474 17.918 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 11.178 -17.510 19.110 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 11.675 -17.044 18.402 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 10.667 -16.799 19.544 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 6.880 -20.355 23.613 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 7.764 -20.627 23.288 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 6.514 -19.808 22.886 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 15.448 -13.434 20.436 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 16.075 -13.245 19.731 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 15.081 -14.295 20.202 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 11.648 -11.329 20.822 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 11.577 -12.162 20.295 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 12.526 -11.403 21.269 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 6.646 -23.145 24.385 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 6.126 -22.449 23.963 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 7.358 -22.663 24.848 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 7.533 -12.465 18.452 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 7.999 -13.106 17.882 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 7.778 -12.727 19.362 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.177 -17.365 14.434 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 10.816 -16.653 14.574 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 10.028 -17.364 13.461 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.857 -22.075 15.204 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 9.333 -22.418 15.994 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 9.263 -22.560 14.453 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 14.664 -13.572 14.395 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 14.112 -12.838 14.753 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 14.245 -13.793 13.557 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 5.741 -23.412 14.464 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 6.357 -24.163 14.306 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 6.234 -22.644 14.171 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 10.088 -11.480 25.063 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 10.936 -11.432 25.509 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 9.564 -12.105 25.610 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 5.848 -16.701 28.566 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 5.271 -16.861 27.786 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 5.923 -15.723 28.613 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 10.499 -14.377 11.670 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 11.269 -14.430 11.060 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 10.270 -15.308 11.839 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 5.803 -16.927 23.904 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 5.152 -16.977 24.638 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 6.632 -17.271 24.300 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 16.357 -15.141 15.830 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 17.227 -14.760 15.689 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 15.746 -14.532 15.349 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 14.215 -24.033 26.798 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 13.918 -23.138 27.077 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 14.722 -24.367 27.576 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 8.729 -21.929 25.606 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 9.073 -21.315 24.925 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 9.384 -22.655 25.622 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 8.123 -18.088 24.778 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.894 -19.009 24.557 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 8.099 -18.065 25.760 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 15.389 -26.381 25.857 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 14.961 -25.516 26.027 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 16.103 -26.177 25.248 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 10.296 -23.818 28.842 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 10.854 -24.126 28.100 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 10.832 -23.126 29.273 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 11.652 -25.016 26.766 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 11.151 -24.681 25.985 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 12.564 -24.672 26.632 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 5.616 -17.085 19.359 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 6.398 -16.707 18.895 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 4.972 -16.354 19.378 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 6.518 -22.138 27.299 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 5.952 -22.872 26.987 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 7.362 -22.260 26.817 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 8.385 -22.925 20.927 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 7.959 -22.074 20.695 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 8.157 -23.520 20.179 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 8.777 -13.340 26.587 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.859 -13.446 26.258 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 9.107 -14.267 26.675 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 9.034 -7.617 20.002 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 9.868 -8.127 19.902 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 8.646 -7.623 19.098 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 7.320 -10.455 23.977 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 7.712 -9.787 24.581 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 8.096 -10.895 23.572 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 9.893 -6.770 24.122 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 10.783 -6.489 24.342 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 9.698 -6.313 23.276 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 8.323 -14.143 16.446 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 7.589 -13.968 15.814 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 8.091 -15.003 16.850 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 11.263 -9.109 19.317 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 11.298 -9.933 19.863 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 12.168 -8.776 19.339 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 10.920 -22.219 20.160 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 10.957 -22.425 19.207 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 10.014 -22.493 20.427 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 5.909 -10.838 16.957 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 6.588 -11.443 17.329 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 5.982 -10.957 15.999 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 7.631 -25.197 13.717 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 8.326 -25.542 14.333 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 7.008 -25.945 13.617 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 12.289 -27.049 28.421 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 11.974 -26.344 27.807 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 11.858 -27.872 28.085 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 12.775 -11.765 15.202 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 12.130 -12.235 15.765 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 12.301 -10.960 14.922 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 7.442 -19.998 34.139 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 6.805 -19.464 33.618 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 6.882 -20.439 34.810 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 13.386 -21.827 28.182 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 12.822 -21.984 28.970 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 14.042 -21.193 28.486 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 7.082 -21.423 38.203 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 6.550 -21.152 37.423 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 6.457 -21.340 38.959 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 9.429 -23.433 33.170 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 9.751 -22.529 33.254 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 10.116 -23.888 32.631 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 9.677 -19.261 32.704 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 9.220 -18.623 32.148 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 8.972 -19.617 33.289 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 12.220 -20.131 32.211 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 11.298 -19.834 32.386 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 12.765 -19.494 32.680 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 11.929 -22.245 30.493 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 12.074 -21.483 31.106 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 11.821 -23.009 31.083 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 6.145 -21.967 30.013 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 6.563 -22.043 29.135 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 5.198 -21.841 29.811 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 9.020 -21.711 36.255 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 8.734 -21.076 35.581 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 8.501 -21.468 37.050 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 5.051 -13.849 31.393 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 4.494 -13.125 31.770 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 5.323 -14.362 32.163 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 5.640 -21.058 35.927 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 4.819 -20.630 36.254 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 5.343 -21.923 35.601 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 11.021 -24.892 31.561 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 11.941 -25.158 31.346 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 10.496 -25.708 31.396 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 9.477 -5.538 21.717 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 9.937 -4.849 21.197 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 9.301 -6.256 21.066 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 7.765 -8.052 25.231 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 8.563 -7.591 24.877 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 7.012 -7.588 24.803 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 12.383 -2.426 22.521 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 13.342 -2.375 22.464 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 12.116 -2.869 21.695 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 10.498 -3.205 20.577 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 10.098 -2.731 21.338 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 10.164 -2.735 19.804 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 4.131 -4.805 19.857 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 3.248 -4.448 19.652 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 4.415 -5.220 19.035 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 7.944 -8.272 17.622 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 7.463 -8.021 16.805 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 8.492 -9.042 17.350 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 9.946 -10.096 17.077 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 10.444 -9.721 17.835 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 10.453 -9.809 16.289 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 7.119 -8.214 27.885 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 7.741 -7.545 28.191 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 7.308 -8.293 26.920 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 7.625 -3.681 22.564 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 8.281 -3.001 22.811 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 8.164 -4.469 22.356 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 6.513 -7.811 15.304 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 5.662 -7.891 15.763 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 6.272 -7.500 14.413 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 5.536 -7.039 23.916 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 4.756 -6.912 24.502 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 5.504 -6.266 23.312 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 8.454 -9.422 14.100 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 7.838 -10.187 14.024 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 7.948 -8.765 14.617 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 9.738 -1.927 22.936 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 9.563 -1.146 23.472 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 10.711 -2.061 23.015 1.00 0.00 WAT1 END