REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1193.61, 64.6472, 78.9178, 44.3707, 403.629, -366.287, -1420.27, 0.937017, 0.447281 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.832034E-03,0.455073,1.31702,42.8174,2.777634E-03,0.275113 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 16, 7 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -4.155 2.787 0.938 1.00 54.04 ATOM 2 CB MET 1 -4.760 1.512 2.558 1.00 74.33 ATOM 3 HB1 MET 1 -3.757 1.115 2.632 1.00 38.02 ATOM 4 HB2 MET 1 -5.355 0.844 1.951 1.00 52.14 ATOM 5 CG MET 1 -5.362 1.547 3.958 1.00 40.01 ATOM 6 HG1 MET 1 -5.358 0.546 4.364 1.00 38.02 ATOM 7 HG2 MET 1 -6.380 1.902 3.893 1.00 2.43 ATOM 8 SD MET 1 -4.442 2.627 5.073 1.00 61.15 ATOM 9 CE MET 1 -5.362 2.416 6.598 1.00 72.23 ATOM 10 HE1 MET 1 -6.386 2.725 6.447 1.00 13.30 ATOM 11 HE2 MET 1 -4.914 3.018 7.375 1.00 55.42 ATOM 12 HE3 MET 1 -5.339 1.376 6.891 1.00 11.21 ATOM 13 C MET 1 -6.119 3.384 1.557 1.00 40.42 ATOM 14 O MET 1 -6.726 4.091 2.360 1.00 34.04 ATOM 15 N MET 1 -3.960 3.858 2.725 1.00 3.41 ATOM 16 HT1 MET 1 -3.869 4.770 2.235 1.00 38.02 ATOM 17 HT2 MET 1 -3.010 3.498 2.941 1.00 38.02 ATOM 18 HT3 MET 1 -4.467 4.011 3.622 1.00 38.02 ATOM 19 CA MET 1 -4.698 2.886 1.869 1.00 71.22 ATOM 20 N GLY 2 -6.636 3.017 0.381 1.00 23.21 ATOM 21 HN GLY 2 -6.087 2.487 -0.235 1.00 38.02 ATOM 22 CA GLY 2 -8.000 3.388 -0.010 1.00 60.23 ATOM 23 HA1 GLY 2 -7.952 4.022 -0.884 1.00 38.02 ATOM 24 HA2 GLY 2 -8.465 3.942 0.795 1.00 73.44 ATOM 25 C GLY 2 -8.861 2.170 -0.336 1.00 10.42 ATOM 26 O GLY 2 -9.948 1.992 0.219 1.00 40.03 ATOM 27 N HIS 3 -8.376 1.339 -1.256 1.00 45.22 ATOM 28 HN HIS 3 -7.551 1.588 -1.728 1.00 38.02 ATOM 29 CA HIS 3 -9.025 0.063 -1.590 1.00 53.30 ATOM 30 HA HIS 3 -9.890 -0.051 -0.950 1.00 14.44 ATOM 31 CB HIS 3 -9.481 0.056 -3.058 1.00 24.55 ATOM 32 HB1 HIS 3 -9.849 -0.929 -3.308 1.00 38.02 ATOM 33 HB2 HIS 3 -8.636 0.286 -3.690 1.00 64.51 ATOM 34 CG HIS 3 -10.564 1.044 -3.368 1.00 40.50 ATOM 35 ND1 HIS 3 -10.482 1.953 -4.402 1.00 24.11 ATOM 36 HD1 HIS 3 -9.728 2.051 -5.021 1.00 25.22 ATOM 37 CD2 HIS 3 -11.772 1.247 -2.794 1.00 73.43 ATOM 38 HD2 HIS 3 -12.179 0.709 -1.948 1.00 50.31 ATOM 39 CE1 HIS 3 -11.585 2.669 -4.446 1.00 5.12 ATOM 40 HE1 HIS 3 -11.798 3.459 -5.152 1.00 15.45 ATOM 41 NE2 HIS 3 -12.384 2.264 -3.482 1.00 13.23 ATOM 42 HE2 HIS 3 -13.196 2.734 -3.195 1.00 38.02 ATOM 43 C HIS 3 -8.070 -1.113 -1.332 1.00 14.52 ATOM 44 O HIS 3 -6.959 -0.924 -0.832 1.00 14.35 ATOM 45 N HIS 4 -8.504 -2.327 -1.670 1.00 41.33 ATOM 46 HN HIS 4 -9.406 -2.426 -2.046 1.00 38.02 ATOM 47 CA HIS 4 -7.664 -3.518 -1.499 1.00 62.31 ATOM 48 HA HIS 4 -7.280 -3.505 -0.487 1.00 74.52 ATOM 49 CB HIS 4 -8.497 -4.790 -1.695 1.00 43.43 ATOM 50 HB1 HIS 4 -7.862 -5.654 -1.559 1.00 38.02 ATOM 51 HB2 HIS 4 -8.902 -4.800 -2.698 1.00 43.40 ATOM 52 CG HIS 4 -9.639 -4.900 -0.733 1.00 34.01 ATOM 53 ND1 HIS 4 -10.955 -4.988 -1.130 1.00 63.25 ATOM 54 HD1 HIS 4 -11.277 -4.981 -2.056 1.00 50.32 ATOM 55 CD2 HIS 4 -9.656 -4.936 0.620 1.00 30.33 ATOM 56 HD2 HIS 4 -8.797 -4.890 1.274 1.00 13.25 ATOM 57 CE1 HIS 4 -11.730 -5.072 -0.068 1.00 44.10 ATOM 58 HE1 HIS 4 -12.807 -5.151 -0.078 1.00 31.24 ATOM 59 NE2 HIS 4 -10.968 -5.042 1.004 1.00 71.41 ATOM 60 HE2 HIS 4 -11.275 -5.236 1.917 1.00 38.02 ATOM 61 C HIS 4 -6.477 -3.497 -2.475 1.00 35.23 ATOM 62 O HIS 4 -6.637 -3.726 -3.674 1.00 74.11 ATOM 63 N HIS 5 -5.287 -3.216 -1.955 1.00 11.14 ATOM 64 HN HIS 5 -5.205 -3.114 -0.982 1.00 38.02 ATOM 65 CA HIS 5 -4.098 -3.057 -2.795 1.00 65.34 ATOM 66 HA HIS 5 -4.416 -2.608 -3.727 1.00 13.10 ATOM 67 CB HIS 5 -3.097 -2.110 -2.113 1.00 62.31 ATOM 68 HB1 HIS 5 -2.700 -2.596 -1.233 1.00 38.02 ATOM 69 HB2 HIS 5 -3.612 -1.208 -1.814 1.00 21.33 ATOM 70 CG HIS 5 -1.939 -1.708 -2.981 1.00 1.42 ATOM 71 ND1 HIS 5 -1.994 -0.659 -3.871 1.00 65.20 ATOM 72 HD1 HIS 5 -2.771 -0.080 -4.027 1.00 23.45 ATOM 73 CD2 HIS 5 -0.685 -2.211 -3.080 1.00 45.14 ATOM 74 HD2 HIS 5 -0.286 -3.050 -2.526 1.00 24.34 ATOM 75 CE1 HIS 5 -0.832 -0.534 -4.477 1.00 65.33 ATOM 76 HE1 HIS 5 -0.591 0.201 -5.231 1.00 43.14 ATOM 77 NE2 HIS 5 -0.017 -1.462 -4.017 1.00 44.03 ATOM 78 HE2 HIS 5 0.960 -1.432 -4.111 1.00 38.02 ATOM 79 C HIS 5 -3.440 -4.413 -3.111 1.00 60.43 ATOM 80 O HIS 5 -2.427 -4.778 -2.514 1.00 15.34 ATOM 81 N HIS 6 -4.065 -5.174 -4.013 1.00 73.54 ATOM 82 HN HIS 6 -4.958 -4.896 -4.322 1.00 38.02 ATOM 83 CA HIS 6 -3.483 -6.415 -4.567 1.00 14.12 ATOM 84 HA HIS 6 -4.162 -6.762 -5.333 1.00 74.01 ATOM 85 CB HIS 6 -2.129 -6.106 -5.232 1.00 22.23 ATOM 86 HB1 HIS 6 -1.418 -5.821 -4.468 1.00 38.02 ATOM 87 HB2 HIS 6 -2.253 -5.283 -5.921 1.00 43.00 ATOM 88 CG HIS 6 -1.551 -7.260 -5.996 1.00 60.31 ATOM 89 ND1 HIS 6 -0.307 -7.794 -5.734 1.00 45.42 ATOM 90 HD1 HIS 6 0.319 -7.482 -5.045 1.00 70.03 ATOM 91 CD2 HIS 6 -2.054 -7.982 -7.026 1.00 1.04 ATOM 92 HD2 HIS 6 -3.017 -7.840 -7.498 1.00 3.23 ATOM 93 CE1 HIS 6 -0.072 -8.789 -6.567 1.00 14.14 ATOM 94 HE1 HIS 6 0.825 -9.388 -6.596 1.00 11.21 ATOM 95 NE2 HIS 6 -1.116 -8.925 -7.361 1.00 12.24 ATOM 96 HE2 HIS 6 -1.282 -9.703 -7.939 1.00 38.02 ATOM 97 C HIS 6 -3.323 -7.552 -3.526 1.00 42.14 ATOM 98 O HIS 6 -2.866 -8.646 -3.865 1.00 24.42 ATOM 99 N HIS 7 -3.699 -7.310 -2.273 1.00 13.42 ATOM 100 HN HIS 7 -4.067 -6.433 -2.044 1.00 38.02 ATOM 101 CA HIS 7 -3.589 -8.341 -1.231 1.00 3.20 ATOM 102 HA HIS 7 -2.686 -8.907 -1.426 1.00 33.33 ATOM 103 CB HIS 7 -3.471 -7.698 0.155 1.00 20.03 ATOM 104 HB1 HIS 7 -3.498 -8.471 0.911 1.00 38.02 ATOM 105 HB2 HIS 7 -4.302 -7.024 0.307 1.00 55.54 ATOM 106 CG HIS 7 -2.204 -6.919 0.333 1.00 32.42 ATOM 107 ND1 HIS 7 -2.099 -5.572 0.062 1.00 34.55 ATOM 108 HD1 HIS 7 -2.827 -4.992 -0.249 1.00 62.11 ATOM 109 CD2 HIS 7 -0.973 -7.310 0.741 1.00 63.15 ATOM 110 HD2 HIS 7 -0.684 -8.305 1.045 1.00 73.15 ATOM 111 CE1 HIS 7 -0.867 -5.172 0.291 1.00 61.45 ATOM 112 HE1 HIS 7 -0.495 -4.167 0.162 1.00 73.35 ATOM 113 NE2 HIS 7 -0.166 -6.204 0.703 1.00 11.34 ATOM 114 HE2 HIS 7 0.770 -6.172 0.995 1.00 38.02 ATOM 115 C HIS 7 -4.784 -9.306 -1.279 1.00 14.15 ATOM 116 O HIS 7 -5.938 -8.893 -1.132 1.00 54.11 ATOM 117 N HIS 8 -4.489 -10.590 -1.478 1.00 22.23 ATOM 118 HN HIS 8 -3.545 -10.858 -1.491 1.00 38.02 ATOM 119 CA HIS 8 -5.523 -11.619 -1.654 1.00 1.24 ATOM 120 HA HIS 8 -6.299 -11.208 -2.285 1.00 15.41 ATOM 121 CB HIS 8 -4.925 -12.855 -2.344 1.00 50.51 ATOM 122 HB1 HIS 8 -5.715 -13.566 -2.540 1.00 38.02 ATOM 123 HB2 HIS 8 -4.196 -13.309 -1.687 1.00 41.52 ATOM 124 CG HIS 8 -4.243 -12.556 -3.646 1.00 33.02 ATOM 125 ND1 HIS 8 -2.979 -13.007 -3.954 1.00 2.53 ATOM 126 HD1 HIS 8 -2.403 -13.547 -3.370 1.00 50.02 ATOM 127 CD2 HIS 8 -4.665 -11.869 -4.732 1.00 41.14 ATOM 128 HD2 HIS 8 -5.615 -11.368 -4.842 1.00 14.43 ATOM 129 CE1 HIS 8 -2.654 -12.609 -5.166 1.00 53.25 ATOM 130 HE1 HIS 8 -1.722 -12.817 -5.669 1.00 43.42 ATOM 131 NE2 HIS 8 -3.658 -11.918 -5.665 1.00 52.31 ATOM 132 HE2 HIS 8 -3.775 -11.721 -6.620 1.00 38.02 ATOM 133 C HIS 8 -6.149 -12.039 -0.315 1.00 21.32 ATOM 134 O HIS 8 -5.530 -11.916 0.741 1.00 12.05 ATOM 135 N SER 9 -7.380 -12.545 -0.370 1.00 25.01 ATOM 136 HN SER 9 -7.841 -12.577 -1.236 1.00 38.02 ATOM 137 CA SER 9 -8.074 -13.041 0.832 1.00 64.31 ATOM 138 HA SER 9 -7.651 -12.534 1.689 1.00 41.05 ATOM 139 CB SER 9 -9.576 -12.721 0.764 1.00 10.23 ATOM 140 HB1 SER 9 -10.014 -13.228 -0.085 1.00 38.02 ATOM 141 HB2 SER 9 -9.710 -11.654 0.651 1.00 54.53 ATOM 142 OG SER 9 -10.251 -13.141 1.944 1.00 52.21 ATOM 143 HG SER 9 -9.609 -13.506 2.569 1.00 54.44 ATOM 144 C SER 9 -7.872 -14.553 1.016 1.00 4.14 ATOM 145 O SER 9 -8.403 -15.146 1.952 1.00 22.43 ATOM 146 N HIS 10 -7.108 -15.169 0.112 1.00 31.14 ATOM 147 HN HIS 10 -6.744 -14.648 -0.631 1.00 38.02 ATOM 148 CA HIS 10 -6.785 -16.601 0.202 1.00 30.14 ATOM 149 HA HIS 10 -7.513 -17.063 0.858 1.00 31.01 ATOM 150 CB HIS 10 -6.880 -17.259 -1.179 1.00 63.13 ATOM 151 HB1 HIS 10 -6.433 -18.243 -1.133 1.00 38.02 ATOM 152 HB2 HIS 10 -6.337 -16.659 -1.896 1.00 33.33 ATOM 153 CG HIS 10 -8.285 -17.412 -1.678 1.00 63.51 ATOM 154 ND1 HIS 10 -8.923 -18.630 -1.752 1.00 42.14 ATOM 155 HD1 HIS 10 -8.533 -19.496 -1.501 1.00 42.42 ATOM 156 CD2 HIS 10 -9.178 -16.499 -2.132 1.00 32.31 ATOM 157 HD2 HIS 10 -9.018 -15.433 -2.215 1.00 4.02 ATOM 158 CE1 HIS 10 -10.139 -18.464 -2.226 1.00 44.31 ATOM 159 HE1 HIS 10 -10.863 -19.248 -2.393 1.00 32.01 ATOM 160 NE2 HIS 10 -10.322 -17.181 -2.464 1.00 31.24 ATOM 161 HE2 HIS 10 -11.187 -16.769 -2.671 1.00 38.02 ATOM 162 C HIS 10 -5.383 -16.822 0.796 1.00 54.43 ATOM 163 O HIS 10 -4.376 -16.724 0.090 1.00 63.12 ATOM 164 N PRO 11 -5.294 -17.106 2.107 1.00 24.12 ATOM 165 CA PRO 11 -4.017 -17.292 2.793 1.00 44.02 ATOM 166 HA PRO 11 -3.289 -16.561 2.465 1.00 52.00 ATOM 167 CB PRO 11 -4.362 -17.034 4.278 1.00 65.44 ATOM 168 HB1 PRO 11 -3.760 -16.218 4.653 1.00 38.02 ATOM 169 HB2 PRO 11 -4.160 -17.923 4.860 1.00 51.55 ATOM 170 CG PRO 11 -5.823 -16.687 4.305 1.00 13.14 ATOM 171 HG1 PRO 11 -5.943 -15.613 4.328 1.00 38.02 ATOM 172 HG2 PRO 11 -6.293 -17.133 5.170 1.00 10.31 ATOM 173 CD PRO 11 -6.411 -17.250 3.041 1.00 11.12 ATOM 174 HD1 PRO 11 -7.263 -16.668 2.725 1.00 38.02 ATOM 175 HD2 PRO 11 -6.681 -18.289 3.172 1.00 53.20 ATOM 176 C PRO 11 -3.428 -18.701 2.610 1.00 10.44 ATOM 177 O PRO 11 -3.919 -19.680 3.189 1.00 24.23 ATOM 178 N ASN 12 -2.380 -18.805 1.792 1.00 43.21 ATOM 179 HN ASN 12 -2.114 -18.025 1.261 1.00 38.02 ATOM 180 CA ASN 12 -1.626 -20.059 1.657 1.00 54.22 ATOM 181 HA ASN 12 -2.326 -20.843 1.401 1.00 60.44 ATOM 182 CB ASN 12 -0.581 -19.939 0.540 1.00 42.34 ATOM 183 HB1 ASN 12 0.055 -20.813 0.553 1.00 38.02 ATOM 184 HB2 ASN 12 0.023 -19.060 0.714 1.00 62.52 ATOM 185 CG ASN 12 -1.213 -19.823 -0.836 1.00 54.33 ATOM 186 OD1 ASN 12 -1.461 -20.823 -1.503 1.00 2.24 ATOM 187 ND2 ASN 12 -1.471 -18.610 -1.276 1.00 21.11 ATOM 188 HD21 ASN 12 -1.251 -17.850 -0.702 1.00 2.53 ATOM 189 HD22 ASN 12 -1.867 -18.519 -2.168 1.00 73.32 ATOM 190 C ASN 12 -0.940 -20.427 2.982 1.00 31.23 ATOM 191 O ASN 12 -1.053 -19.694 3.964 1.00 22.43 ATOM 192 N GLU 13 -0.225 -21.549 3.003 1.00 0.41 ATOM 193 HN GLU 13 -0.147 -22.083 2.181 1.00 38.02 ATOM 194 CA GLU 13 0.439 -22.024 4.226 1.00 12.21 ATOM 195 HA GLU 13 -0.331 -22.370 4.902 1.00 13.41 ATOM 196 CB GLU 13 1.375 -23.194 3.898 1.00 0.10 ATOM 197 HB1 GLU 13 2.135 -22.847 3.212 1.00 38.02 ATOM 198 HB2 GLU 13 0.801 -23.974 3.418 1.00 65.30 ATOM 199 CG GLU 13 2.068 -23.791 5.121 1.00 4.41 ATOM 200 HG1 GLU 13 1.313 -24.144 5.811 1.00 38.02 ATOM 201 HG2 GLU 13 2.651 -23.017 5.601 1.00 13.55 ATOM 202 CD GLU 13 2.987 -24.950 4.771 1.00 30.25 ATOM 203 OE1 GLU 13 2.482 -26.064 4.537 1.00 64.25 ATOM 204 OE2 GLU 13 4.220 -24.753 4.731 1.00 33.25 ATOM 205 C GLU 13 1.235 -20.903 4.915 1.00 61.22 ATOM 206 O GLU 13 1.018 -20.607 6.090 1.00 13.52 ATOM 207 N GLU 14 2.130 -20.269 4.165 1.00 12.11 ATOM 208 HN GLU 14 2.236 -20.538 3.230 1.00 38.02 ATOM 209 CA GLU 14 2.972 -19.184 4.691 1.00 24.24 ATOM 210 HA GLU 14 3.529 -19.576 5.530 1.00 61.23 ATOM 211 CB GLU 14 3.965 -18.700 3.616 1.00 74.42 ATOM 212 HB1 GLU 14 4.573 -17.908 4.038 1.00 38.02 ATOM 213 HB2 GLU 14 3.405 -18.299 2.785 1.00 31.32 ATOM 214 CG GLU 14 4.904 -19.782 3.073 1.00 4.33 ATOM 215 HG1 GLU 14 5.190 -20.431 3.889 1.00 38.02 ATOM 216 HG2 GLU 14 5.789 -19.303 2.678 1.00 25.51 ATOM 217 CD GLU 14 4.294 -20.638 1.965 1.00 72.53 ATOM 218 OE1 GLU 14 4.983 -21.560 1.478 1.00 15.43 ATOM 219 OE2 GLU 14 3.136 -20.389 1.561 1.00 60.23 ATOM 220 C GLU 14 2.129 -17.990 5.173 1.00 2.04 ATOM 221 O GLU 14 2.478 -17.324 6.147 1.00 12.43 ATOM 222 N ALA 15 1.013 -17.735 4.492 1.00 12.43 ATOM 223 HN ALA 15 0.746 -18.350 3.779 1.00 38.02 ATOM 224 CA ALA 15 0.172 -16.568 4.783 1.00 43.14 ATOM 225 HA ALA 15 0.829 -15.723 4.943 1.00 13.32 ATOM 226 CB ALA 15 -0.710 -16.246 3.583 1.00 33.14 ATOM 227 HB1 ALA 15 -1.385 -17.070 3.402 1.00 10.35 ATOM 228 HB2 ALA 15 -0.092 -16.091 2.711 1.00 64.32 ATOM 229 HB3 ALA 15 -1.282 -15.350 3.782 1.00 24.23 ATOM 230 C ALA 15 -0.686 -16.763 6.046 1.00 72.20 ATOM 231 O ALA 15 -0.744 -15.884 6.904 1.00 24.13 ATOM 232 N ARG 16 -1.365 -17.903 6.156 1.00 21.44 ATOM 233 HN ARG 16 -1.323 -18.559 5.430 1.00 38.02 ATOM 234 CA ARG 16 -2.179 -18.188 7.347 1.00 14.41 ATOM 235 HA ARG 16 -2.756 -17.295 7.553 1.00 14.41 ATOM 236 CB ARG 16 -3.159 -19.344 7.082 1.00 64.04 ATOM 237 HB1 ARG 16 -3.844 -19.038 6.302 1.00 38.02 ATOM 238 HB2 ARG 16 -3.725 -19.527 7.985 1.00 45.41 ATOM 239 CG ARG 16 -2.508 -20.660 6.657 1.00 52.24 ATOM 240 HG1 ARG 16 -1.966 -21.071 7.498 1.00 38.02 ATOM 241 HG2 ARG 16 -1.821 -20.469 5.844 1.00 24.32 ATOM 242 CD ARG 16 -3.555 -21.674 6.196 1.00 53.42 ATOM 243 HD1 ARG 16 -4.126 -21.240 5.385 1.00 38.02 ATOM 244 HD2 ARG 16 -4.216 -21.885 7.023 1.00 70.13 ATOM 245 NE ARG 16 -2.959 -22.932 5.745 1.00 43.11 ATOM 246 HE ARG 16 -2.576 -23.518 6.425 1.00 34.03 ATOM 247 CZ ARG 16 -2.939 -23.337 4.505 1.00 13.12 ATOM 248 NH1 ARG 16 -3.408 -22.586 3.557 1.00 33.42 ATOM 249 HH11 ARG 16 -3.786 -21.689 3.773 1.00 42.12 ATOM 250 HH12 ARG 16 -3.385 -22.908 2.616 1.00 50.22 ATOM 251 NH2 ARG 16 -2.428 -24.488 4.211 1.00 34.44 ATOM 252 HH21 ARG 16 -2.045 -25.065 4.930 1.00 3.21 ATOM 253 HH22 ARG 16 -2.413 -24.802 3.265 1.00 34.23 ATOM 254 C ARG 16 -1.298 -18.474 8.575 1.00 50.31 ATOM 255 O ARG 16 -1.649 -18.114 9.699 1.00 35.43 ATOM 256 N LEU 17 -0.146 -19.108 8.351 1.00 11.50 ATOM 257 HN LEU 17 0.048 -19.447 7.450 1.00 38.02 ATOM 258 CA LEU 17 0.839 -19.319 9.422 1.00 4.13 ATOM 259 HA LEU 17 0.332 -19.796 10.250 1.00 2.01 ATOM 260 CB LEU 17 1.971 -20.238 8.932 1.00 50.43 ATOM 261 HB1 LEU 17 2.460 -19.756 8.098 1.00 38.02 ATOM 262 HB2 LEU 17 1.527 -21.160 8.579 1.00 12.44 ATOM 263 CG LEU 17 3.044 -20.591 9.978 1.00 64.40 ATOM 264 HG LEU 17 3.509 -19.677 10.325 1.00 42.43 ATOM 265 CD1 LEU 17 2.422 -21.288 11.184 1.00 73.43 ATOM 266 HD11 LEU 17 3.199 -21.553 11.888 1.00 63.22 ATOM 267 HD12 LEU 17 1.909 -22.182 10.861 1.00 22.22 ATOM 268 HD13 LEU 17 1.718 -20.623 11.663 1.00 24.13 ATOM 269 CD2 LEU 17 4.130 -21.464 9.355 1.00 33.40 ATOM 270 HD21 LEU 17 3.691 -22.381 8.989 1.00 74.32 ATOM 271 HD22 LEU 17 4.878 -21.695 10.100 1.00 64.14 ATOM 272 HD23 LEU 17 4.594 -20.934 8.535 1.00 4.31 ATOM 273 C LEU 17 1.410 -17.972 9.901 1.00 4.53 ATOM 274 O LEU 17 1.739 -17.803 11.075 1.00 41.33 ATOM 275 N ASP 18 1.518 -17.020 8.974 1.00 44.40 ATOM 276 HN ASP 18 1.309 -17.245 8.043 1.00 38.02 ATOM 277 CA ASP 18 1.947 -15.650 9.287 1.00 13.11 ATOM 278 HA ASP 18 2.963 -15.690 9.653 1.00 63.41 ATOM 279 CB ASP 18 1.906 -14.816 8.000 1.00 25.01 ATOM 280 HB1 ASP 18 0.879 -14.728 7.671 1.00 38.02 ATOM 281 HB2 ASP 18 2.471 -15.327 7.234 1.00 32.21 ATOM 282 CG ASP 18 2.479 -13.423 8.165 1.00 34.34 ATOM 283 OD1 ASP 18 3.708 -13.266 8.014 1.00 42.24 ATOM 284 OD2 ASP 18 1.699 -12.479 8.411 1.00 33.15 ATOM 285 C ASP 18 1.041 -15.021 10.363 1.00 41.24 ATOM 286 O ASP 18 1.515 -14.530 11.394 1.00 1.11 ATOM 287 N ILE 19 -0.267 -15.071 10.121 1.00 13.41 ATOM 288 HN ILE 19 -0.571 -15.452 9.271 1.00 38.02 ATOM 289 CA ILE 19 -1.266 -14.566 11.070 1.00 1.42 ATOM 290 HA ILE 19 -1.090 -13.509 11.218 1.00 72.20 ATOM 291 CB ILE 19 -2.697 -14.756 10.510 1.00 23.14 ATOM 292 HB ILE 19 -2.922 -15.815 10.513 1.00 53.02 ATOM 293 CG1 ILE 19 -2.790 -14.232 9.067 1.00 63.45 ATOM 294 HG11 ILE 19 -1.950 -14.607 8.498 1.00 38.02 ATOM 295 HG12 ILE 19 -2.755 -13.152 9.077 1.00 23.11 ATOM 296 CG2 ILE 19 -3.721 -14.055 11.404 1.00 22.14 ATOM 297 HG21 ILE 19 -3.671 -14.466 12.402 1.00 20.30 ATOM 298 HG22 ILE 19 -4.715 -14.203 11.004 1.00 62.33 ATOM 299 HG23 ILE 19 -3.504 -12.995 11.441 1.00 30.25 ATOM 300 CD1 ILE 19 -4.057 -14.648 8.351 1.00 72.23 ATOM 301 HD11 ILE 19 -4.036 -14.276 7.337 1.00 42.23 ATOM 302 HD12 ILE 19 -4.914 -14.239 8.867 1.00 20.43 ATOM 303 HD13 ILE 19 -4.126 -15.728 8.339 1.00 40.23 ATOM 304 C ILE 19 -1.165 -15.297 12.422 1.00 54.01 ATOM 305 O ILE 19 -1.187 -14.672 13.491 1.00 21.34 ATOM 306 N LEU 20 -1.063 -16.627 12.360 1.00 64.42 ATOM 307 HN LEU 20 -1.106 -17.064 11.480 1.00 38.02 ATOM 308 CA LEU 20 -0.902 -17.462 13.557 1.00 3.45 ATOM 309 HA LEU 20 -1.784 -17.327 14.169 1.00 52.43 ATOM 310 CB LEU 20 -0.803 -18.942 13.158 1.00 75.04 ATOM 311 HB1 LEU 20 -0.518 -19.515 14.032 1.00 38.02 ATOM 312 HB2 LEU 20 -0.021 -19.042 12.415 1.00 5.01 ATOM 313 CG LEU 20 -2.100 -19.541 12.589 1.00 13.41 ATOM 314 HG LEU 20 -2.484 -18.883 11.824 1.00 2.24 ATOM 315 CD1 LEU 20 -1.839 -20.899 11.947 1.00 14.13 ATOM 316 HD11 LEU 20 -1.118 -20.786 11.150 1.00 1.03 ATOM 317 HD12 LEU 20 -2.763 -21.287 11.541 1.00 43.41 ATOM 318 HD13 LEU 20 -1.453 -21.585 12.687 1.00 13.34 ATOM 319 CD2 LEU 20 -3.162 -19.659 13.683 1.00 33.13 ATOM 320 HD21 LEU 20 -2.799 -20.304 14.473 1.00 2.13 ATOM 321 HD22 LEU 20 -4.064 -20.078 13.265 1.00 42.03 ATOM 322 HD23 LEU 20 -3.375 -18.679 14.086 1.00 61.41 ATOM 323 C LEU 20 0.327 -17.044 14.376 1.00 44.04 ATOM 324 O LEU 20 0.266 -16.970 15.602 1.00 51.20 ATOM 325 N LYS 21 1.434 -16.763 13.692 1.00 44.23 ATOM 326 HN LYS 21 1.439 -16.895 12.720 1.00 38.02 ATOM 327 CA LYS 21 2.648 -16.260 14.349 1.00 71.43 ATOM 328 HA LYS 21 2.968 -17.006 15.062 1.00 2.24 ATOM 329 CB LYS 21 3.768 -16.041 13.321 1.00 52.10 ATOM 330 HB1 LYS 21 4.562 -15.476 13.792 1.00 38.02 ATOM 331 HB2 LYS 21 3.374 -15.466 12.495 1.00 51.40 ATOM 332 CG LYS 21 4.369 -17.327 12.762 1.00 43.25 ATOM 333 HG1 LYS 21 3.577 -17.931 12.341 1.00 38.02 ATOM 334 HG2 LYS 21 4.847 -17.867 13.566 1.00 11.35 ATOM 335 CD LYS 21 5.405 -17.035 11.677 1.00 33.43 ATOM 336 HD1 LYS 21 6.115 -16.313 12.058 1.00 38.02 ATOM 337 HD2 LYS 21 4.903 -16.621 10.814 1.00 64.00 ATOM 338 CE LYS 21 6.160 -18.291 11.255 1.00 31.44 ATOM 339 HE1 LYS 21 6.792 -18.052 10.412 1.00 38.02 ATOM 340 HE2 LYS 21 5.446 -19.048 10.961 1.00 14.40 ATOM 341 NZ LYS 21 7.007 -18.826 12.356 1.00 12.44 ATOM 342 HZ1 LYS 21 6.413 -19.128 13.153 1.00 21.23 ATOM 343 HZ2 LYS 21 7.666 -18.089 12.692 1.00 61.10 ATOM 344 HZ3 LYS 21 7.561 -19.642 12.020 1.00 74.23 ATOM 345 C LYS 21 2.375 -14.947 15.097 1.00 11.13 ATOM 346 O LYS 21 2.625 -14.841 16.296 1.00 74.41 ATOM 347 N ILE 22 1.848 -13.956 14.380 1.00 14.03 ATOM 348 HN ILE 22 1.627 -14.121 13.435 1.00 38.02 ATOM 349 CA ILE 22 1.592 -12.624 14.950 1.00 63.21 ATOM 350 HA ILE 22 2.548 -12.201 15.236 1.00 44.22 ATOM 351 CB ILE 22 0.948 -11.680 13.900 1.00 35.14 ATOM 352 HB ILE 22 0.010 -12.119 13.586 1.00 64.24 ATOM 353 CG1 ILE 22 1.868 -11.538 12.673 1.00 31.22 ATOM 354 HG11 ILE 22 2.036 -12.516 12.244 1.00 38.02 ATOM 355 HG12 ILE 22 2.815 -11.122 12.984 1.00 43.22 ATOM 356 CG2 ILE 22 0.644 -10.309 14.513 1.00 40.34 ATOM 357 HG21 ILE 22 1.563 -9.850 14.851 1.00 3.52 ATOM 358 HG22 ILE 22 -0.025 -10.429 15.352 1.00 22.13 ATOM 359 HG23 ILE 22 0.178 -9.675 13.772 1.00 61.24 ATOM 360 CD1 ILE 22 1.309 -10.645 11.584 1.00 42.25 ATOM 361 HD11 ILE 22 1.162 -9.648 11.973 1.00 20.54 ATOM 362 HD12 ILE 22 0.363 -11.041 11.244 1.00 53.55 ATOM 363 HD13 ILE 22 2.001 -10.611 10.756 1.00 11.25 ATOM 364 C ILE 22 0.688 -12.678 16.199 1.00 72.12 ATOM 365 O ILE 22 0.947 -11.989 17.190 1.00 23.23 ATOM 366 N HIS 23 -0.363 -13.501 16.152 1.00 32.11 ATOM 367 HN HIS 23 -0.491 -14.063 15.356 1.00 38.02 ATOM 368 CA HIS 23 -1.335 -13.584 17.256 1.00 24.22 ATOM 369 HA HIS 23 -1.460 -12.584 17.648 1.00 13.44 ATOM 370 CB HIS 23 -2.693 -14.068 16.733 1.00 24.22 ATOM 371 HB1 HIS 23 -3.314 -14.359 17.569 1.00 38.02 ATOM 372 HB2 HIS 23 -2.540 -14.924 16.092 1.00 23.23 ATOM 373 CG HIS 23 -3.436 -13.029 15.946 1.00 64.34 ATOM 374 ND1 HIS 23 -4.490 -12.312 16.464 1.00 53.14 ATOM 375 HD1 HIS 23 -4.858 -12.409 17.371 1.00 53.22 ATOM 376 CD2 HIS 23 -3.271 -12.582 14.677 1.00 23.24 ATOM 377 HD2 HIS 23 -2.528 -12.924 13.966 1.00 42.50 ATOM 378 CE1 HIS 23 -4.943 -11.472 15.555 1.00 20.12 ATOM 379 HE1 HIS 23 -5.765 -10.783 15.685 1.00 52.13 ATOM 380 NE2 HIS 23 -4.223 -11.614 14.461 1.00 43.10 ATOM 381 HE2 HIS 23 -4.220 -10.979 13.709 1.00 38.02 ATOM 382 C HIS 23 -0.861 -14.490 18.408 1.00 54.11 ATOM 383 O HIS 23 -1.038 -14.151 19.579 1.00 13.03 ATOM 384 N SER 24 -0.265 -15.638 18.081 1.00 61.13 ATOM 385 HN SER 24 -0.112 -15.845 17.134 1.00 38.02 ATOM 386 CA SER 24 0.175 -16.603 19.109 1.00 24.14 ATOM 387 HA SER 24 -0.703 -16.920 19.654 1.00 72.52 ATOM 388 CB SER 24 0.822 -17.832 18.461 1.00 23.34 ATOM 389 HB1 SER 24 0.123 -18.284 17.772 1.00 38.02 ATOM 390 HB2 SER 24 1.086 -18.548 19.226 1.00 43.02 ATOM 391 OG SER 24 1.995 -17.475 17.749 1.00 53.53 ATOM 392 HG SER 24 1.788 -17.392 16.813 1.00 31.42 ATOM 393 C SER 24 1.161 -15.970 20.100 1.00 3.15 ATOM 394 O SER 24 1.177 -16.318 21.281 1.00 34.02 ATOM 395 N ARG 25 1.971 -15.033 19.606 1.00 32.11 ATOM 396 HN ARG 25 1.934 -14.842 18.645 1.00 38.02 ATOM 397 CA ARG 25 2.930 -14.289 20.438 1.00 24.42 ATOM 398 HA ARG 25 3.704 -14.975 20.748 1.00 63.32 ATOM 399 CB ARG 25 3.564 -13.166 19.607 1.00 74.44 ATOM 400 HB1 ARG 25 4.194 -12.568 20.252 1.00 38.02 ATOM 401 HB2 ARG 25 2.776 -12.540 19.213 1.00 1.03 ATOM 402 CG ARG 25 4.412 -13.660 18.436 1.00 44.55 ATOM 403 HG1 ARG 25 3.896 -14.476 17.949 1.00 38.02 ATOM 404 HG2 ARG 25 5.363 -14.010 18.813 1.00 35.43 ATOM 405 CD ARG 25 4.660 -12.553 17.415 1.00 13.52 ATOM 406 HD1 ARG 25 3.709 -12.241 17.006 1.00 38.02 ATOM 407 HD2 ARG 25 5.278 -12.946 16.621 1.00 51.44 ATOM 408 NE ARG 25 5.332 -11.393 18.001 1.00 13.14 ATOM 409 HE ARG 25 6.175 -11.550 18.474 1.00 42.40 ATOM 410 CZ ARG 25 4.896 -10.164 17.908 1.00 33.20 ATOM 411 NH1 ARG 25 3.759 -9.908 17.337 1.00 72.32 ATOM 412 HH11 ARG 25 3.211 -10.650 16.968 1.00 61.33 ATOM 413 HH12 ARG 25 3.430 -8.966 17.274 1.00 51.12 ATOM 414 NH2 ARG 25 5.591 -9.198 18.406 1.00 70.14 ATOM 415 HH21 ARG 25 6.458 -9.394 18.862 1.00 44.42 ATOM 416 HH22 ARG 25 5.269 -8.258 18.325 1.00 4.22 ATOM 417 C ARG 25 2.272 -13.684 21.691 1.00 52.22 ATOM 418 O ARG 25 2.922 -13.515 22.725 1.00 30.33 ATOM 419 N LYS 26 0.986 -13.358 21.593 1.00 2.23 ATOM 420 HN LYS 26 0.513 -13.537 20.751 1.00 38.02 ATOM 421 CA LYS 26 0.254 -12.738 22.701 1.00 22.11 ATOM 422 HA LYS 26 0.830 -11.889 23.044 1.00 23.42 ATOM 423 CB LYS 26 -1.112 -12.240 22.208 1.00 0.42 ATOM 424 HB1 LYS 26 -1.711 -13.096 21.923 1.00 38.02 ATOM 425 HB2 LYS 26 -0.962 -11.616 21.339 1.00 14.31 ATOM 426 CG LYS 26 -1.893 -11.438 23.248 1.00 64.13 ATOM 427 HG1 LYS 26 -2.051 -12.057 24.121 1.00 38.02 ATOM 428 HG2 LYS 26 -2.848 -11.158 22.828 1.00 0.32 ATOM 429 CD LYS 26 -1.149 -10.171 23.667 1.00 21.13 ATOM 430 HD1 LYS 26 -0.163 -10.442 24.020 1.00 38.02 ATOM 431 HD2 LYS 26 -1.696 -9.692 24.466 1.00 43.04 ATOM 432 CE LYS 26 -1.009 -9.184 22.513 1.00 73.00 ATOM 433 HE1 LYS 26 -0.544 -9.687 21.677 1.00 38.02 ATOM 434 HE2 LYS 26 -0.382 -8.363 22.829 1.00 62.43 ATOM 435 NZ LYS 26 -2.325 -8.645 22.079 1.00 42.25 ATOM 436 HZ1 LYS 26 -2.784 -8.145 22.868 1.00 75.52 ATOM 437 HZ2 LYS 26 -2.947 -9.417 21.768 1.00 61.44 ATOM 438 HZ3 LYS 26 -2.201 -7.981 21.287 1.00 32.25 ATOM 439 C LYS 26 0.061 -13.713 23.880 1.00 23.11 ATOM 440 O LYS 26 0.001 -13.302 25.041 1.00 31.12 ATOM 441 N MET 27 -0.025 -15.005 23.578 1.00 14.41 ATOM 442 HN MET 27 0.108 -15.286 22.647 1.00 38.02 ATOM 443 CA MET 27 -0.288 -16.025 24.601 1.00 40.24 ATOM 444 HA MET 27 -0.676 -15.523 25.478 1.00 14.13 ATOM 445 CB MET 27 -1.348 -17.011 24.093 1.00 24.14 ATOM 446 HB1 MET 27 -1.527 -17.758 24.853 1.00 38.02 ATOM 447 HB2 MET 27 -0.975 -17.499 23.203 1.00 25.02 ATOM 448 CG MET 27 -2.679 -16.351 23.753 1.00 54.44 ATOM 449 HG1 MET 27 -2.518 -15.633 22.960 1.00 38.02 ATOM 450 HG2 MET 27 -3.046 -15.837 24.629 1.00 64.42 ATOM 451 SD MET 27 -3.930 -17.533 23.216 1.00 12.34 ATOM 452 CE MET 27 -3.165 -18.207 21.740 1.00 53.13 ATOM 453 HE1 MET 27 -3.824 -18.935 21.293 1.00 61.03 ATOM 454 HE2 MET 27 -2.231 -18.684 22.002 1.00 12.34 ATOM 455 HE3 MET 27 -2.976 -17.410 21.036 1.00 21.35 ATOM 456 C MET 27 0.992 -16.779 24.999 1.00 54.44 ATOM 457 O MET 27 1.982 -16.785 24.266 1.00 62.13 ATOM 458 N ASN 28 0.968 -17.403 26.175 1.00 54.25 ATOM 459 HN ASN 28 0.170 -17.329 26.737 1.00 38.02 ATOM 460 CA ASN 28 2.111 -18.182 26.659 1.00 0.11 ATOM 461 HA ASN 28 3.013 -17.646 26.399 1.00 65.40 ATOM 462 CB ASN 28 2.048 -18.339 28.183 1.00 65.24 ATOM 463 HB1 ASN 28 2.940 -18.846 28.524 1.00 38.02 ATOM 464 HB2 ASN 28 1.183 -18.934 28.442 1.00 12.21 ATOM 465 CG ASN 28 1.945 -17.008 28.909 1.00 43.03 ATOM 466 OD1 ASN 28 1.378 -16.044 28.399 1.00 54.24 ATOM 467 ND2 ASN 28 2.481 -16.945 30.110 1.00 21.34 ATOM 468 HD21 ASN 28 2.914 -17.747 30.466 1.00 31.44 ATOM 469 HD22 ASN 28 2.423 -16.096 30.596 1.00 41.10 ATOM 470 C ASN 28 2.143 -19.560 25.985 1.00 30.42 ATOM 471 O ASN 28 1.512 -20.508 26.449 1.00 63.43 ATOM 472 N LEU 29 2.867 -19.655 24.878 1.00 31.20 ATOM 473 HN LEU 29 3.384 -18.875 24.583 1.00 38.02 ATOM 474 CA LEU 29 2.919 -20.886 24.083 1.00 73.41 ATOM 475 HA LEU 29 1.904 -21.231 23.947 1.00 75.43 ATOM 476 CB LEU 29 3.525 -20.589 22.705 1.00 23.34 ATOM 477 HB1 LEU 29 3.534 -21.506 22.135 1.00 38.02 ATOM 478 HB2 LEU 29 4.548 -20.266 22.847 1.00 0.22 ATOM 479 CG LEU 29 2.789 -19.518 21.882 1.00 2.34 ATOM 480 HG LEU 29 2.811 -18.583 22.424 1.00 10.42 ATOM 481 CD1 LEU 29 3.485 -19.292 20.543 1.00 60.02 ATOM 482 HD11 LEU 29 4.504 -18.974 20.713 1.00 41.52 ATOM 483 HD12 LEU 29 2.959 -18.528 19.988 1.00 71.53 ATOM 484 HD13 LEU 29 3.486 -20.212 19.975 1.00 35.22 ATOM 485 CD2 LEU 29 1.325 -19.906 21.675 1.00 31.44 ATOM 486 HD21 LEU 29 0.830 -19.969 22.633 1.00 22.15 ATOM 487 HD22 LEU 29 1.272 -20.865 21.180 1.00 44.34 ATOM 488 HD23 LEU 29 0.834 -19.160 21.067 1.00 1.00 ATOM 489 C LEU 29 3.724 -21.992 24.784 1.00 74.42 ATOM 490 O LEU 29 4.673 -21.717 25.520 1.00 20.03 ATOM 491 N THR 30 3.329 -23.244 24.549 1.00 23.22 ATOM 492 HN THR 30 2.541 -23.389 23.983 1.00 38.02 ATOM 493 CA THR 30 4.021 -24.411 25.127 1.00 13.10 ATOM 494 HA THR 30 4.246 -24.184 26.161 1.00 61.15 ATOM 495 CB THR 30 3.117 -25.673 25.098 1.00 61.14 ATOM 496 HB THR 30 2.175 -25.433 25.572 1.00 52.21 ATOM 497 OG1 THR 30 3.741 -26.754 25.814 1.00 12.34 ATOM 498 HG1 THR 30 3.406 -26.772 26.721 1.00 0.54 ATOM 499 CG2 THR 30 2.838 -26.120 23.664 1.00 50.23 ATOM 500 HG21 THR 30 2.371 -25.312 23.118 1.00 20.30 ATOM 501 HG22 THR 30 2.177 -26.973 23.675 1.00 42.55 ATOM 502 HG23 THR 30 3.767 -26.393 23.183 1.00 72.54 ATOM 503 C THR 30 5.339 -24.728 24.391 1.00 30.44 ATOM 504 O THR 30 5.746 -24.006 23.475 1.00 51.45 ATOM 505 N ARG 31 5.992 -25.816 24.797 1.00 14.21 ATOM 506 HN ARG 31 5.612 -26.344 25.531 1.00 38.02 ATOM 507 CA ARG 31 7.254 -26.257 24.192 1.00 32.43 ATOM 508 HA ARG 31 7.929 -25.412 24.174 1.00 25.42 ATOM 509 CB ARG 31 7.875 -27.369 25.049 1.00 45.23 ATOM 510 HB1 ARG 31 8.076 -26.977 26.037 1.00 38.02 ATOM 511 HB2 ARG 31 8.809 -27.679 24.598 1.00 70.24 ATOM 512 CG ARG 31 6.975 -28.596 25.193 1.00 5.24 ATOM 513 HG1 ARG 31 6.729 -28.966 24.207 1.00 38.02 ATOM 514 HG2 ARG 31 6.069 -28.305 25.703 1.00 55.33 ATOM 515 CD ARG 31 7.647 -29.709 25.983 1.00 73.25 ATOM 516 HD1 ARG 31 8.580 -29.963 25.498 1.00 38.02 ATOM 517 HD2 ARG 31 6.999 -30.572 25.985 1.00 74.01 ATOM 518 NE ARG 31 7.916 -29.319 27.367 1.00 62.31 ATOM 519 HE ARG 31 7.195 -28.882 27.861 1.00 41.33 ATOM 520 CZ ARG 31 9.041 -29.548 27.987 1.00 61.54 ATOM 521 NH1 ARG 31 10.050 -30.050 27.355 1.00 22.10 ATOM 522 HH11 ARG 31 9.975 -30.260 26.384 1.00 30.12 ATOM 523 HH12 ARG 31 10.904 -30.228 27.840 1.00 2.23 ATOM 524 NH2 ARG 31 9.170 -29.237 29.231 1.00 64.34 ATOM 525 HH21 ARG 31 8.409 -28.821 29.721 1.00 72.41 ATOM 526 HH22 ARG 31 10.032 -29.419 29.703 1.00 33.13 ATOM 527 C ARG 31 7.056 -26.768 22.751 1.00 21.11 ATOM 528 O ARG 31 6.150 -27.558 22.479 1.00 40.10 ATOM 529 N GLY 32 7.906 -26.295 21.837 1.00 43.22 ATOM 530 HN GLY 32 8.556 -25.613 22.107 1.00 38.02 ATOM 531 CA GLY 32 7.901 -26.775 20.452 1.00 60.30 ATOM 532 HA1 GLY 32 8.301 -27.779 20.436 1.00 38.02 ATOM 533 HA2 GLY 32 8.551 -26.140 19.868 1.00 24.05 ATOM 534 C GLY 32 6.523 -26.787 19.793 1.00 55.12 ATOM 535 O GLY 32 6.246 -27.631 18.939 1.00 43.51 ATOM 536 N ILE 33 5.665 -25.845 20.182 1.00 60.24 ATOM 537 HN ILE 33 5.950 -25.197 20.859 1.00 38.02 ATOM 538 CA ILE 33 4.303 -25.762 19.645 1.00 43.54 ATOM 539 HA ILE 33 3.802 -26.692 19.889 1.00 45.31 ATOM 540 CB ILE 33 3.512 -24.608 20.316 1.00 34.33 ATOM 541 HB ILE 33 3.440 -24.831 21.372 1.00 74.15 ATOM 542 CG1 ILE 33 2.091 -24.504 19.735 1.00 5.24 ATOM 543 HG11 ILE 33 1.599 -25.463 19.827 1.00 38.02 ATOM 544 HG12 ILE 33 2.153 -24.238 18.690 1.00 73.43 ATOM 545 CG2 ILE 33 4.258 -23.282 20.174 1.00 0.41 ATOM 546 HG21 ILE 33 3.694 -22.496 20.651 1.00 13.53 ATOM 547 HG22 ILE 33 4.384 -23.049 19.126 1.00 52.23 ATOM 548 HG23 ILE 33 5.229 -23.362 20.642 1.00 55.03 ATOM 549 CD1 ILE 33 1.222 -23.470 20.424 1.00 50.34 ATOM 550 HD11 ILE 33 1.139 -23.709 21.474 1.00 51.30 ATOM 551 HD12 ILE 33 0.239 -23.472 19.976 1.00 30.51 ATOM 552 HD13 ILE 33 1.665 -22.490 20.311 1.00 63.10 ATOM 553 C ILE 33 4.298 -25.596 18.113 1.00 13.23 ATOM 554 O ILE 33 4.527 -24.508 17.579 1.00 22.30 ATOM 555 N ASN 34 4.062 -26.698 17.408 1.00 33.14 ATOM 556 HN ASN 34 3.912 -27.541 17.884 1.00 38.02 ATOM 557 CA ASN 34 4.044 -26.692 15.943 1.00 71.03 ATOM 558 HA ASN 34 4.900 -26.121 15.610 1.00 62.11 ATOM 559 CB ASN 34 4.164 -28.127 15.400 1.00 72.13 ATOM 560 HB1 ASN 34 3.284 -28.688 15.690 1.00 38.02 ATOM 561 HB2 ASN 34 5.034 -28.596 15.832 1.00 24.44 ATOM 562 CG ASN 34 4.290 -28.186 13.883 1.00 70.34 ATOM 563 OD1 ASN 34 3.833 -27.299 13.173 1.00 61.32 ATOM 564 ND2 ASN 34 4.906 -29.233 13.372 1.00 2.22 ATOM 565 HD21 ASN 34 5.252 -29.914 13.984 1.00 4.31 ATOM 566 HD22 ASN 34 4.976 -29.291 12.395 1.00 43.51 ATOM 567 C ASN 34 2.768 -26.015 15.407 1.00 45.02 ATOM 568 O ASN 34 1.713 -26.645 15.282 1.00 75.14 ATOM 569 N LEU 35 2.875 -24.722 15.103 1.00 54.13 ATOM 570 HN LEU 35 3.725 -24.267 15.273 1.00 38.02 ATOM 571 CA LEU 35 1.756 -23.956 14.539 1.00 42.41 ATOM 572 HA LEU 35 0.871 -24.194 15.113 1.00 33.43 ATOM 573 CB LEU 35 2.031 -22.449 14.655 1.00 53.34 ATOM 574 HB1 LEU 35 1.216 -21.918 14.182 1.00 38.02 ATOM 575 HB2 LEU 35 2.940 -22.229 14.112 1.00 30.50 ATOM 576 CG LEU 35 2.182 -21.913 16.087 1.00 13.10 ATOM 577 HG LEU 35 2.991 -22.438 16.575 1.00 25.31 ATOM 578 CD1 LEU 35 2.531 -20.427 16.074 1.00 31.44 ATOM 579 HD11 LEU 35 2.638 -20.074 17.089 1.00 72.22 ATOM 580 HD12 LEU 35 1.743 -19.874 15.581 1.00 60.43 ATOM 581 HD13 LEU 35 3.460 -20.280 15.543 1.00 22.14 ATOM 582 CD2 LEU 35 0.906 -22.160 16.890 1.00 53.43 ATOM 583 HD21 LEU 35 0.072 -21.674 16.404 1.00 34.11 ATOM 584 HD22 LEU 35 1.024 -21.760 17.887 1.00 73.03 ATOM 585 HD23 LEU 35 0.718 -23.222 16.950 1.00 33.42 ATOM 586 C LEU 35 1.504 -24.324 13.068 1.00 13.54 ATOM 587 O LEU 35 0.422 -24.078 12.533 1.00 0.32 ATOM 588 N ARG 36 2.507 -24.921 12.420 1.00 1.31 ATOM 589 HN ARG 36 3.333 -25.128 12.906 1.00 38.02 ATOM 590 CA ARG 36 2.399 -25.291 11.005 1.00 1.24 ATOM 591 HA ARG 36 2.084 -24.412 10.458 1.00 41.41 ATOM 592 CB ARG 36 3.757 -25.754 10.461 1.00 13.21 ATOM 593 HB1 ARG 36 3.999 -26.713 10.898 1.00 38.02 ATOM 594 HB2 ARG 36 4.514 -25.038 10.750 1.00 74.12 ATOM 595 CG ARG 36 3.791 -25.899 8.944 1.00 75.42 ATOM 596 HG1 ARG 36 3.611 -24.931 8.495 1.00 38.02 ATOM 597 HG2 ARG 36 3.012 -26.585 8.639 1.00 34.32 ATOM 598 CD ARG 36 5.134 -26.429 8.458 1.00 73.32 ATOM 599 HD1 ARG 36 5.204 -27.479 8.707 1.00 38.02 ATOM 600 HD2 ARG 36 5.924 -25.888 8.958 1.00 1.10 ATOM 601 NE ARG 36 5.293 -26.272 7.016 1.00 63.14 ATOM 602 HE ARG 36 4.619 -25.744 6.540 1.00 41.34 ATOM 603 CZ ARG 36 6.289 -26.752 6.327 1.00 42.00 ATOM 604 NH1 ARG 36 7.187 -27.497 6.888 1.00 65.10 ATOM 605 HH11 ARG 36 7.120 -27.717 7.859 1.00 62.32 ATOM 606 HH12 ARG 36 7.955 -27.838 6.349 1.00 50.00 ATOM 607 NH2 ARG 36 6.373 -26.496 5.064 1.00 1.33 ATOM 608 HH21 ARG 36 5.674 -25.929 4.624 1.00 40.42 ATOM 609 HH22 ARG 36 7.131 -26.862 4.532 1.00 55.42 ATOM 610 C ARG 36 1.352 -26.398 10.807 1.00 71.42 ATOM 611 O ARG 36 0.448 -26.258 9.989 1.00 32.32 ATOM 612 N LYS 37 1.477 -27.488 11.576 1.00 71.33 ATOM 613 HN LYS 37 2.249 -27.556 12.178 1.00 38.02 ATOM 614 CA LYS 37 0.510 -28.598 11.528 1.00 5.13 ATOM 615 HA LYS 37 0.569 -29.042 10.542 1.00 22.12 ATOM 616 CB LYS 37 0.873 -29.668 12.581 1.00 71.23 ATOM 617 HB1 LYS 37 0.610 -29.295 13.561 1.00 38.02 ATOM 618 HB2 LYS 37 1.942 -29.833 12.549 1.00 41.25 ATOM 619 CG LYS 37 0.177 -31.021 12.377 1.00 71.51 ATOM 620 HG1 LYS 37 0.804 -31.799 12.794 1.00 38.02 ATOM 621 HG2 LYS 37 0.061 -31.195 11.316 1.00 2.31 ATOM 622 CD LYS 37 -1.208 -31.101 13.033 1.00 31.14 ATOM 623 HD1 LYS 37 -1.747 -31.937 12.613 1.00 38.02 ATOM 624 HD2 LYS 37 -1.747 -30.187 12.826 1.00 53.24 ATOM 625 CE LYS 37 -1.119 -31.282 14.548 1.00 74.33 ATOM 626 HE1 LYS 37 -0.758 -30.362 14.988 1.00 38.02 ATOM 627 HE2 LYS 37 -0.420 -32.079 14.763 1.00 43.22 ATOM 628 NZ LYS 37 -2.436 -31.624 15.151 1.00 4.31 ATOM 629 HZ1 LYS 37 -2.364 -31.645 16.192 1.00 74.31 ATOM 630 HZ2 LYS 37 -2.750 -32.561 14.824 1.00 52.35 ATOM 631 HZ3 LYS 37 -3.151 -30.923 14.882 1.00 73.10 ATOM 632 C LYS 37 -0.919 -28.081 11.747 1.00 51.53 ATOM 633 O LYS 37 -1.880 -28.606 11.187 1.00 22.12 ATOM 634 N ILE 38 -1.044 -27.035 12.560 1.00 64.45 ATOM 635 HN ILE 38 -0.249 -26.693 13.017 1.00 38.02 ATOM 636 CA ILE 38 -2.331 -26.375 12.779 1.00 23.11 ATOM 637 HA ILE 38 -3.051 -27.131 13.066 1.00 42.42 ATOM 638 CB ILE 38 -2.231 -25.327 13.918 1.00 13.33 ATOM 639 HB ILE 38 -1.513 -24.575 13.616 1.00 12.24 ATOM 640 CG1 ILE 38 -1.737 -25.989 15.214 1.00 41.52 ATOM 641 HG11 ILE 38 -1.707 -25.248 16.001 1.00 38.02 ATOM 642 HG12 ILE 38 -0.739 -26.374 15.057 1.00 44.32 ATOM 643 CG2 ILE 38 -3.570 -24.627 14.142 1.00 40.45 ATOM 644 HG21 ILE 38 -3.863 -24.110 13.240 1.00 11.00 ATOM 645 HG22 ILE 38 -3.475 -23.913 14.948 1.00 62.01 ATOM 646 HG23 ILE 38 -4.323 -25.359 14.398 1.00 62.10 ATOM 647 CD1 ILE 38 -2.604 -27.139 15.690 1.00 30.20 ATOM 648 HD11 ILE 38 -3.617 -26.793 15.828 1.00 34.11 ATOM 649 HD12 ILE 38 -2.221 -27.512 16.627 1.00 21.42 ATOM 650 HD13 ILE 38 -2.590 -27.932 14.956 1.00 41.01 ATOM 651 C ILE 38 -2.809 -25.688 11.491 1.00 61.52 ATOM 652 O ILE 38 -3.949 -25.866 11.062 1.00 20.23 ATOM 653 N ALA 39 -1.915 -24.918 10.870 1.00 12.42 ATOM 654 HN ALA 39 -1.034 -24.789 11.283 1.00 38.02 ATOM 655 CA ALA 39 -2.206 -24.248 9.599 1.00 70.10 ATOM 656 HA ALA 39 -3.068 -23.614 9.750 1.00 61.53 ATOM 657 CB ALA 39 -1.033 -23.361 9.193 1.00 54.03 ATOM 658 HB1 ALA 39 -1.293 -22.799 8.308 1.00 25.54 ATOM 659 HB2 ALA 39 -0.168 -23.975 8.987 1.00 41.34 ATOM 660 HB3 ALA 39 -0.803 -22.678 9.998 1.00 13.43 ATOM 661 C ALA 39 -2.525 -25.257 8.483 1.00 31.20 ATOM 662 O ALA 39 -3.293 -24.963 7.565 1.00 13.43 ATOM 663 N GLU 40 -1.934 -26.447 8.567 1.00 14.01 ATOM 664 HN GLU 40 -1.296 -26.609 9.293 1.00 38.02 ATOM 665 CA GLU 40 -2.199 -27.515 7.595 1.00 4.41 ATOM 666 HA GLU 40 -2.146 -27.078 6.606 1.00 12.41 ATOM 667 CB GLU 40 -1.135 -28.620 7.702 1.00 22.12 ATOM 668 HB1 GLU 40 -1.352 -29.386 6.969 1.00 38.02 ATOM 669 HB2 GLU 40 -1.183 -29.057 8.690 1.00 53.21 ATOM 670 CG GLU 40 0.288 -28.123 7.465 1.00 41.35 ATOM 671 HG1 GLU 40 0.568 -27.477 8.286 1.00 38.02 ATOM 672 HG2 GLU 40 0.309 -27.555 6.545 1.00 52.34 ATOM 673 CD GLU 40 1.302 -29.251 7.365 1.00 2.02 ATOM 674 OE1 GLU 40 1.927 -29.598 8.391 1.00 12.13 ATOM 675 OE2 GLU 40 1.482 -29.794 6.254 1.00 5.44 ATOM 676 C GLU 40 -3.602 -28.111 7.787 1.00 31.25 ATOM 677 O GLU 40 -4.121 -28.800 6.908 1.00 53.10 ATOM 678 N LEU 41 -4.209 -27.845 8.941 1.00 23.02 ATOM 679 HN LEU 41 -3.716 -27.356 9.634 1.00 38.02 ATOM 680 CA LEU 41 -5.590 -28.266 9.212 1.00 65.43 ATOM 681 HA LEU 41 -5.797 -29.140 8.609 1.00 72.52 ATOM 682 CB LEU 41 -5.751 -28.635 10.695 1.00 70.42 ATOM 683 HB1 LEU 41 -6.788 -28.886 10.872 1.00 38.02 ATOM 684 HB2 LEU 41 -5.506 -27.763 11.285 1.00 64.53 ATOM 685 CG LEU 41 -4.883 -29.807 11.183 1.00 51.31 ATOM 686 HG LEU 41 -3.843 -29.555 11.037 1.00 64.44 ATOM 687 CD1 LEU 41 -5.093 -30.054 12.675 1.00 35.31 ATOM 688 HD11 LEU 41 -4.836 -29.163 13.229 1.00 50.24 ATOM 689 HD12 LEU 41 -4.462 -30.869 12.997 1.00 14.52 ATOM 690 HD13 LEU 41 -6.128 -30.306 12.860 1.00 43.32 ATOM 691 CD2 LEU 41 -5.177 -31.074 10.379 1.00 63.11 ATOM 692 HD21 LEU 41 -4.548 -31.879 10.732 1.00 63.01 ATOM 693 HD22 LEU 41 -4.976 -30.893 9.334 1.00 70.31 ATOM 694 HD23 LEU 41 -6.215 -31.349 10.503 1.00 23.50 ATOM 695 C LEU 41 -6.589 -27.159 8.835 1.00 41.04 ATOM 696 O LEU 41 -7.796 -27.291 9.054 1.00 12.03 ATOM 697 N MET 42 -6.080 -26.070 8.256 1.00 24.34 ATOM 698 HN MET 42 -5.115 -26.038 8.079 1.00 38.02 ATOM 699 CA MET 42 -6.910 -24.916 7.883 1.00 4.12 ATOM 700 HA MET 42 -7.939 -25.144 8.127 1.00 3.41 ATOM 701 CB MET 42 -6.469 -23.686 8.693 1.00 2.04 ATOM 702 HB1 MET 42 -7.119 -22.857 8.449 1.00 38.02 ATOM 703 HB2 MET 42 -5.457 -23.429 8.414 1.00 13.31 ATOM 704 CG MET 42 -6.509 -23.897 10.203 1.00 65.10 ATOM 705 HG1 MET 42 -5.960 -24.796 10.443 1.00 38.02 ATOM 706 HG2 MET 42 -7.539 -24.015 10.512 1.00 4.22 ATOM 707 SD MET 42 -5.788 -22.520 11.121 1.00 11.21 ATOM 708 CE MET 42 -6.834 -21.169 10.592 1.00 12.30 ATOM 709 HE1 MET 42 -7.860 -21.384 10.852 1.00 71.53 ATOM 710 HE2 MET 42 -6.752 -21.047 9.522 1.00 65.50 ATOM 711 HE3 MET 42 -6.521 -20.260 11.083 1.00 44.54 ATOM 712 C MET 42 -6.816 -24.615 6.370 1.00 22.43 ATOM 713 O MET 42 -6.238 -23.602 5.962 1.00 41.20 ATOM 714 N PRO 43 -7.379 -25.487 5.507 1.00 42.54 ATOM 715 CA PRO 43 -7.306 -25.308 4.049 1.00 75.13 ATOM 716 HA PRO 43 -6.302 -25.047 3.740 1.00 51.31 ATOM 717 CB PRO 43 -7.655 -26.700 3.514 1.00 51.40 ATOM 718 HB1 PRO 43 -6.752 -27.285 3.409 1.00 38.02 ATOM 719 HB2 PRO 43 -8.148 -26.615 2.554 1.00 22.22 ATOM 720 CG PRO 43 -8.562 -27.284 4.548 1.00 22.02 ATOM 721 HG1 PRO 43 -8.470 -28.362 4.551 1.00 38.02 ATOM 722 HG2 PRO 43 -9.586 -27.000 4.343 1.00 53.03 ATOM 723 CD PRO 43 -8.115 -26.717 5.875 1.00 73.20 ATOM 724 HD1 PRO 43 -7.464 -27.414 6.383 1.00 38.02 ATOM 725 HD2 PRO 43 -8.970 -26.482 6.495 1.00 1.23 ATOM 726 C PRO 43 -8.285 -24.243 3.516 1.00 42.33 ATOM 727 O PRO 43 -9.473 -24.509 3.311 1.00 64.02 ATOM 728 N GLY 44 -7.777 -23.031 3.299 1.00 62.44 ATOM 729 HN GLY 44 -6.833 -22.867 3.501 1.00 38.02 ATOM 730 CA GLY 44 -8.602 -21.949 2.763 1.00 0.21 ATOM 731 HA1 GLY 44 -9.399 -22.375 2.167 1.00 38.02 ATOM 732 HA2 GLY 44 -7.987 -21.334 2.125 1.00 24.23 ATOM 733 C GLY 44 -9.220 -21.060 3.841 1.00 14.53 ATOM 734 O GLY 44 -10.111 -20.257 3.555 1.00 1.25 ATOM 735 N ALA 45 -8.756 -21.202 5.081 1.00 23.43 ATOM 736 HN ALA 45 -8.075 -21.883 5.258 1.00 38.02 ATOM 737 CA ALA 45 -9.238 -20.366 6.189 1.00 50.04 ATOM 738 HA ALA 45 -10.319 -20.317 6.125 1.00 1.20 ATOM 739 CB ALA 45 -8.872 -21.000 7.527 1.00 23.22 ATOM 740 HB1 ALA 45 -7.798 -21.086 7.606 1.00 70.11 ATOM 741 HB2 ALA 45 -9.318 -21.982 7.598 1.00 11.02 ATOM 742 HB3 ALA 45 -9.242 -20.381 8.331 1.00 32.10 ATOM 743 C ALA 45 -8.670 -18.940 6.095 1.00 41.50 ATOM 744 O ALA 45 -7.467 -18.731 6.252 1.00 24.24 ATOM 745 N SER 46 -9.544 -17.967 5.838 1.00 72.45 ATOM 746 HN SER 46 -10.497 -18.190 5.778 1.00 38.02 ATOM 747 CA SER 46 -9.122 -16.571 5.635 1.00 55.50 ATOM 748 HA SER 46 -8.243 -16.588 5.009 1.00 42.54 ATOM 749 CB SER 46 -10.219 -15.785 4.907 1.00 74.41 ATOM 750 HB1 SER 46 -9.882 -14.771 4.734 1.00 38.02 ATOM 751 HB2 SER 46 -11.110 -15.768 5.515 1.00 40.15 ATOM 752 OG SER 46 -10.532 -16.381 3.655 1.00 62.20 ATOM 753 HG SER 46 -11.123 -15.799 3.161 1.00 35.11 ATOM 754 C SER 46 -8.759 -15.870 6.956 1.00 5.34 ATOM 755 O SER 46 -9.000 -16.401 8.043 1.00 21.53 ATOM 756 N GLY 47 -8.194 -14.664 6.844 1.00 12.32 ATOM 757 HN GLY 47 -8.100 -14.267 5.951 1.00 38.02 ATOM 758 CA GLY 47 -7.703 -13.920 8.010 1.00 13.13 ATOM 759 HA1 GLY 47 -7.457 -12.917 7.694 1.00 38.02 ATOM 760 HA2 GLY 47 -6.801 -14.396 8.364 1.00 51.41 ATOM 761 C GLY 47 -8.692 -13.835 9.172 1.00 65.10 ATOM 762 O GLY 47 -8.306 -13.990 10.337 1.00 3.44 ATOM 763 N ALA 48 -9.963 -13.584 8.865 1.00 61.03 ATOM 764 HN ALA 48 -10.209 -13.449 7.925 1.00 38.02 ATOM 765 CA ALA 48 -11.002 -13.487 9.897 1.00 51.11 ATOM 766 HA ALA 48 -10.697 -12.726 10.603 1.00 73.11 ATOM 767 CB ALA 48 -12.326 -13.048 9.279 1.00 61.03 ATOM 768 HB1 ALA 48 -12.187 -12.116 8.749 1.00 51.35 ATOM 769 HB2 ALA 48 -13.061 -12.910 10.058 1.00 75.21 ATOM 770 HB3 ALA 48 -12.673 -13.804 8.589 1.00 12.43 ATOM 771 C ALA 48 -11.182 -14.812 10.652 1.00 34.24 ATOM 772 O ALA 48 -11.403 -14.820 11.866 1.00 1.15 ATOM 773 N GLU 49 -11.071 -15.927 9.933 1.00 65.32 ATOM 774 HN GLU 49 -10.876 -15.859 8.976 1.00 38.02 ATOM 775 CA GLU 49 -11.238 -17.253 10.535 1.00 3.30 ATOM 776 HA GLU 49 -12.129 -17.228 11.149 1.00 24.43 ATOM 777 CB GLU 49 -11.414 -18.325 9.445 1.00 75.41 ATOM 778 HB1 GLU 49 -11.834 -19.211 9.899 1.00 38.02 ATOM 779 HB2 GLU 49 -10.441 -18.570 9.040 1.00 33.43 ATOM 780 CG GLU 49 -12.318 -17.911 8.280 1.00 12.21 ATOM 781 HG1 GLU 49 -12.538 -18.790 7.688 1.00 38.02 ATOM 782 HG2 GLU 49 -11.786 -17.199 7.665 1.00 53.23 ATOM 783 CD GLU 49 -13.636 -17.286 8.723 1.00 25.34 ATOM 784 OE1 GLU 49 -14.467 -17.992 9.330 1.00 50.23 ATOM 785 OE2 GLU 49 -13.850 -16.084 8.446 1.00 61.32 ATOM 786 C GLU 49 -10.031 -17.605 11.422 1.00 75.35 ATOM 787 O GLU 49 -10.181 -18.122 12.532 1.00 60.32 ATOM 788 N VAL 50 -8.832 -17.306 10.920 1.00 54.24 ATOM 789 HN VAL 50 -8.782 -16.919 10.019 1.00 38.02 ATOM 790 CA VAL 50 -7.587 -17.541 11.664 1.00 33.22 ATOM 791 HA VAL 50 -7.504 -18.606 11.845 1.00 60.52 ATOM 792 CB VAL 50 -6.348 -17.088 10.848 1.00 70.43 ATOM 793 HB VAL 50 -6.397 -16.014 10.727 1.00 62.01 ATOM 794 CG1 VAL 50 -5.057 -17.418 11.594 1.00 33.01 ATOM 795 HG11 VAL 50 -4.993 -18.486 11.751 1.00 52.42 ATOM 796 HG12 VAL 50 -5.054 -16.915 12.550 1.00 13.31 ATOM 797 HG13 VAL 50 -4.207 -17.089 11.013 1.00 0.15 ATOM 798 CG2 VAL 50 -6.350 -17.722 9.456 1.00 63.15 ATOM 799 HG21 VAL 50 -7.255 -17.444 8.936 1.00 62.04 ATOM 800 HG22 VAL 50 -6.305 -18.798 9.548 1.00 23.03 ATOM 801 HG23 VAL 50 -5.492 -17.374 8.897 1.00 73.40 ATOM 802 C VAL 50 -7.598 -16.801 13.013 1.00 54.51 ATOM 803 O VAL 50 -7.178 -17.342 14.041 1.00 73.12 ATOM 804 N LYS 51 -8.086 -15.560 12.997 1.00 33.31 ATOM 805 HN LYS 51 -8.360 -15.170 12.139 1.00 38.02 ATOM 806 CA LYS 51 -8.217 -14.757 14.220 1.00 32.20 ATOM 807 HA LYS 51 -7.228 -14.632 14.637 1.00 75.05 ATOM 808 CB LYS 51 -8.791 -13.367 13.867 1.00 51.10 ATOM 809 HB1 LYS 51 -9.838 -13.478 13.618 1.00 38.02 ATOM 810 HB2 LYS 51 -8.269 -12.993 12.997 1.00 20.42 ATOM 811 CG LYS 51 -8.671 -12.315 14.977 1.00 64.54 ATOM 812 HG1 LYS 51 -8.713 -11.331 14.528 1.00 38.02 ATOM 813 HG2 LYS 51 -7.716 -12.438 15.470 1.00 32.32 ATOM 814 CD LYS 51 -9.776 -12.424 16.032 1.00 53.14 ATOM 815 HD1 LYS 51 -9.556 -11.737 16.837 1.00 38.02 ATOM 816 HD2 LYS 51 -9.793 -13.433 16.419 1.00 5.13 ATOM 817 CE LYS 51 -11.153 -12.094 15.464 1.00 73.25 ATOM 818 HE1 LYS 51 -11.378 -12.788 14.666 1.00 38.02 ATOM 819 HE2 LYS 51 -11.138 -11.089 15.069 1.00 14.43 ATOM 820 NZ LYS 51 -12.216 -12.187 16.500 1.00 42.42 ATOM 821 HZ1 LYS 51 -11.973 -11.596 17.319 1.00 15.31 ATOM 822 HZ2 LYS 51 -12.323 -13.170 16.820 1.00 44.22 ATOM 823 HZ3 LYS 51 -13.125 -11.862 16.113 1.00 70.44 ATOM 824 C LYS 51 -9.102 -15.482 15.254 1.00 41.33 ATOM 825 O LYS 51 -8.866 -15.403 16.464 1.00 51.41 ATOM 826 N GLY 52 -10.117 -16.191 14.765 1.00 11.24 ATOM 827 HN GLY 52 -10.284 -16.182 13.799 1.00 38.02 ATOM 828 CA GLY 52 -10.978 -16.979 15.637 1.00 31.12 ATOM 829 HA1 GLY 52 -11.784 -17.387 15.048 1.00 38.02 ATOM 830 HA2 GLY 52 -11.394 -16.332 16.396 1.00 34.35 ATOM 831 C GLY 52 -10.237 -18.126 16.317 1.00 53.15 ATOM 832 O GLY 52 -10.421 -18.376 17.511 1.00 42.24 ATOM 833 N VAL 53 -9.386 -18.814 15.554 1.00 44.34 ATOM 834 HN VAL 53 -9.286 -18.559 14.611 1.00 38.02 ATOM 835 CA VAL 53 -8.596 -19.938 16.073 1.00 75.52 ATOM 836 HA VAL 53 -9.289 -20.698 16.415 1.00 33.44 ATOM 837 CB VAL 53 -7.710 -20.560 14.961 1.00 15.44 ATOM 838 HB VAL 53 -7.053 -19.788 14.584 1.00 41.32 ATOM 839 CG1 VAL 53 -6.843 -21.693 15.515 1.00 14.25 ATOM 840 HG11 VAL 53 -6.213 -21.314 16.306 1.00 52.50 ATOM 841 HG12 VAL 53 -6.224 -22.093 14.725 1.00 55.21 ATOM 842 HG13 VAL 53 -7.477 -22.477 15.904 1.00 53.52 ATOM 843 CG2 VAL 53 -8.575 -21.056 13.802 1.00 5.14 ATOM 844 HG21 VAL 53 -7.945 -21.507 13.047 1.00 52.32 ATOM 845 HG22 VAL 53 -9.112 -20.224 13.370 1.00 23.22 ATOM 846 HG23 VAL 53 -9.281 -21.790 14.166 1.00 4.22 ATOM 847 C VAL 53 -7.707 -19.513 17.256 1.00 45.34 ATOM 848 O VAL 53 -7.754 -20.117 18.329 1.00 31.14 ATOM 849 N CYS 54 -6.909 -18.462 17.059 1.00 0.54 ATOM 850 HN CYS 54 -6.930 -18.006 16.189 1.00 38.02 ATOM 851 CA CYS 54 -6.003 -17.970 18.110 1.00 32.45 ATOM 852 HA CYS 54 -5.351 -18.788 18.386 1.00 23.54 ATOM 853 CB CYS 54 -5.141 -16.812 17.592 1.00 1.41 ATOM 854 HB1 CYS 54 -4.602 -17.138 16.714 1.00 38.02 ATOM 855 HB2 CYS 54 -4.430 -16.530 18.356 1.00 21.13 ATOM 856 SG CYS 54 -6.073 -15.329 17.141 1.00 5.32 ATOM 857 HG CYS 54 -6.067 -14.508 18.186 1.00 42.52 ATOM 858 C CYS 54 -6.777 -17.524 19.360 1.00 44.00 ATOM 859 O CYS 54 -6.292 -17.662 20.485 1.00 51.35 ATOM 860 N THR 55 -7.975 -16.979 19.156 1.00 74.11 ATOM 861 HN THR 55 -8.289 -16.858 18.235 1.00 38.02 ATOM 862 CA THR 55 -8.832 -16.548 20.271 1.00 51.21 ATOM 863 HA THR 55 -8.230 -15.934 20.930 1.00 60.42 ATOM 864 CB THR 55 -10.023 -15.690 19.771 1.00 31.31 ATOM 865 HB THR 55 -10.615 -16.285 19.087 1.00 75.11 ATOM 866 OG1 THR 55 -9.538 -14.527 19.074 1.00 2.13 ATOM 867 HG1 THR 55 -9.253 -14.784 18.186 1.00 3.12 ATOM 868 CG2 THR 55 -10.915 -15.247 20.929 1.00 22.52 ATOM 869 HG21 THR 55 -11.321 -16.116 21.427 1.00 12.04 ATOM 870 HG22 THR 55 -11.724 -14.640 20.548 1.00 42.10 ATOM 871 HG23 THR 55 -10.333 -14.669 21.632 1.00 32.42 ATOM 872 C THR 55 -9.371 -17.749 21.072 1.00 42.13 ATOM 873 O THR 55 -9.259 -17.787 22.301 1.00 60.12 ATOM 874 N GLU 56 -9.949 -18.730 20.374 1.00 64.04 ATOM 875 HN GLU 56 -10.015 -18.645 19.398 1.00 38.02 ATOM 876 CA GLU 56 -10.491 -19.936 21.025 1.00 22.43 ATOM 877 HA GLU 56 -11.191 -19.605 21.781 1.00 0.22 ATOM 878 CB GLU 56 -11.246 -20.817 20.015 1.00 10.14 ATOM 879 HB1 GLU 56 -11.331 -21.817 20.419 1.00 38.02 ATOM 880 HB2 GLU 56 -10.674 -20.860 19.099 1.00 22.22 ATOM 881 CG GLU 56 -12.651 -20.321 19.675 1.00 63.53 ATOM 882 HG1 GLU 56 -13.045 -20.921 18.868 1.00 38.02 ATOM 883 HG2 GLU 56 -12.585 -19.291 19.353 1.00 0.32 ATOM 884 CD GLU 56 -13.615 -20.402 20.859 1.00 32.42 ATOM 885 OE1 GLU 56 -14.271 -21.453 21.035 1.00 52.20 ATOM 886 OE2 GLU 56 -13.723 -19.412 21.616 1.00 43.43 ATOM 887 C GLU 56 -9.393 -20.757 21.717 1.00 15.34 ATOM 888 O GLU 56 -9.605 -21.288 22.808 1.00 61.15 ATOM 889 N ALA 57 -8.222 -20.857 21.082 1.00 44.51 ATOM 890 HN ALA 57 -8.124 -20.440 20.199 1.00 38.02 ATOM 891 CA ALA 57 -7.081 -21.585 21.658 1.00 30.34 ATOM 892 HA ALA 57 -7.332 -22.637 21.667 1.00 32.41 ATOM 893 CB ALA 57 -5.843 -21.403 20.786 1.00 60.44 ATOM 894 HB1 ALA 57 -6.068 -21.699 19.773 1.00 52.13 ATOM 895 HB2 ALA 57 -5.038 -22.015 21.168 1.00 34.13 ATOM 896 HB3 ALA 57 -5.541 -20.365 20.798 1.00 63.33 ATOM 897 C ALA 57 -6.793 -21.132 23.099 1.00 62.12 ATOM 898 O ALA 57 -6.596 -21.954 23.996 1.00 22.52 ATOM 899 N GLY 58 -6.779 -19.817 23.310 1.00 1.14 ATOM 900 HN GLY 58 -6.874 -19.211 22.546 1.00 38.02 ATOM 901 CA GLY 58 -6.614 -19.272 24.650 1.00 14.10 ATOM 902 HA1 GLY 58 -6.546 -18.197 24.580 1.00 38.02 ATOM 903 HA2 GLY 58 -5.694 -19.651 25.071 1.00 52.51 ATOM 904 C GLY 58 -7.771 -19.630 25.584 1.00 63.53 ATOM 905 O GLY 58 -7.558 -19.927 26.759 1.00 62.35 ATOM 906 N MET 59 -8.999 -19.616 25.054 1.00 62.31 ATOM 907 HN MET 59 -9.101 -19.392 24.103 1.00 38.02 ATOM 908 CA MET 59 -10.201 -19.931 25.846 1.00 72.31 ATOM 909 HA MET 59 -10.267 -19.204 26.645 1.00 1.53 ATOM 910 CB MET 59 -11.462 -19.830 24.977 1.00 54.54 ATOM 911 HB1 MET 59 -12.326 -20.053 25.589 1.00 38.02 ATOM 912 HB2 MET 59 -11.398 -20.562 24.184 1.00 55.41 ATOM 913 CG MET 59 -11.669 -18.460 24.344 1.00 53.41 ATOM 914 HG1 MET 59 -12.596 -18.472 23.788 1.00 38.02 ATOM 915 HG2 MET 59 -10.850 -18.263 23.666 1.00 33.44 ATOM 916 SD MET 59 -11.743 -17.130 25.563 1.00 12.35 ATOM 917 CE MET 59 -13.186 -17.608 26.517 1.00 72.43 ATOM 918 HE1 MET 59 -13.352 -16.889 27.306 1.00 74.42 ATOM 919 HE2 MET 59 -13.027 -18.585 26.949 1.00 30.32 ATOM 920 HE3 MET 59 -14.052 -17.638 25.870 1.00 22.11 ATOM 921 C MET 59 -10.119 -21.336 26.469 1.00 61.24 ATOM 922 O MET 59 -10.478 -21.533 27.632 1.00 60.25 ATOM 923 N TYR 60 -9.649 -22.306 25.685 1.00 54.54 ATOM 924 HN TYR 60 -9.400 -22.090 24.759 1.00 38.02 ATOM 925 CA TYR 60 -9.494 -23.686 26.165 1.00 31.40 ATOM 926 HA TYR 60 -10.466 -24.035 26.486 1.00 4.12 ATOM 927 CB TYR 60 -8.988 -24.595 25.037 1.00 51.34 ATOM 928 HB1 TYR 60 -8.872 -25.599 25.419 1.00 38.02 ATOM 929 HB2 TYR 60 -8.025 -24.234 24.699 1.00 33.50 ATOM 930 CG TYR 60 -9.911 -24.660 23.833 1.00 53.23 ATOM 931 CD1 TYR 60 -9.446 -24.365 22.560 1.00 23.44 ATOM 932 HD1 TYR 60 -8.410 -24.083 22.433 1.00 72.51 ATOM 933 CD2 TYR 60 -11.246 -25.020 23.974 1.00 25.24 ATOM 934 HD2 TYR 60 -11.626 -25.252 24.957 1.00 43.23 ATOM 935 CE1 TYR 60 -10.281 -24.422 21.464 1.00 33.02 ATOM 936 HE1 TYR 60 -9.897 -24.188 20.484 1.00 15.22 ATOM 937 CE2 TYR 60 -12.088 -25.079 22.878 1.00 60.12 ATOM 938 HE2 TYR 60 -13.122 -25.361 23.009 1.00 32.32 ATOM 939 CZ TYR 60 -11.600 -24.781 21.625 1.00 72.43 ATOM 940 OH TYR 60 -12.434 -24.843 20.528 1.00 72.52 ATOM 941 HH TYR 60 -12.013 -25.372 19.839 1.00 53.14 ATOM 942 C TYR 60 -8.529 -23.752 27.359 1.00 73.54 ATOM 943 O TYR 60 -8.790 -24.429 28.357 1.00 45.10 ATOM 944 N ALA 61 -7.414 -23.037 27.253 1.00 34.20 ATOM 945 HN ALA 61 -7.228 -22.565 26.412 1.00 38.02 ATOM 946 CA ALA 61 -6.450 -22.950 28.352 1.00 74.25 ATOM 947 HA ALA 61 -6.181 -23.960 28.635 1.00 5.14 ATOM 948 CB ALA 61 -5.182 -22.238 27.889 1.00 74.34 ATOM 949 HB1 ALA 61 -5.415 -21.216 27.625 1.00 62.13 ATOM 950 HB2 ALA 61 -4.775 -22.748 27.028 1.00 42.20 ATOM 951 HB3 ALA 61 -4.452 -22.244 28.687 1.00 42.31 ATOM 952 C ALA 61 -7.055 -22.238 29.575 1.00 30.25 ATOM 953 O ALA 61 -6.880 -22.675 30.714 1.00 12.51 ATOM 954 N LEU 62 -7.790 -21.153 29.324 1.00 54.23 ATOM 955 HN LEU 62 -7.925 -20.880 28.391 1.00 38.02 ATOM 956 CA LEU 62 -8.397 -20.348 30.396 1.00 25.35 ATOM 957 HA LEU 62 -7.610 -20.089 31.088 1.00 71.15 ATOM 958 CB LEU 62 -8.985 -19.049 29.824 1.00 33.14 ATOM 959 HB1 LEU 62 -9.538 -18.551 30.609 1.00 38.02 ATOM 960 HB2 LEU 62 -9.676 -19.311 29.034 1.00 23.31 ATOM 961 CG LEU 62 -7.955 -18.055 29.257 1.00 74.12 ATOM 962 HG LEU 62 -7.418 -18.532 28.449 1.00 74.55 ATOM 963 CD1 LEU 62 -8.654 -16.824 28.683 1.00 1.42 ATOM 964 HD11 LEU 62 -9.214 -16.327 29.464 1.00 20.50 ATOM 965 HD12 LEU 62 -9.328 -17.126 27.895 1.00 51.33 ATOM 966 HD13 LEU 62 -7.916 -16.144 28.283 1.00 13.43 ATOM 967 CD2 LEU 62 -6.937 -17.654 30.328 1.00 35.45 ATOM 968 HD21 LEU 62 -7.447 -17.180 31.156 1.00 31.14 ATOM 969 HD22 LEU 62 -6.221 -16.964 29.906 1.00 61.32 ATOM 970 HD23 LEU 62 -6.419 -18.534 30.682 1.00 53.23 ATOM 971 C LEU 62 -9.483 -21.117 31.166 1.00 20.32 ATOM 972 O LEU 62 -9.561 -21.023 32.392 1.00 3.12 ATOM 973 N ARG 63 -10.317 -21.880 30.461 1.00 1.43 ATOM 974 HN ARG 63 -10.217 -21.928 29.485 1.00 38.02 ATOM 975 CA ARG 63 -11.388 -22.643 31.120 1.00 31.12 ATOM 976 HA ARG 63 -11.907 -21.956 31.776 1.00 24.31 ATOM 977 CB ARG 63 -12.397 -23.184 30.094 1.00 71.40 ATOM 978 HB1 ARG 63 -12.779 -22.353 29.515 1.00 38.02 ATOM 979 HB2 ARG 63 -13.219 -23.642 30.626 1.00 54.01 ATOM 980 CG ARG 63 -11.829 -24.216 29.128 1.00 32.53 ATOM 981 HG1 ARG 63 -11.548 -25.098 29.685 1.00 38.02 ATOM 982 HG2 ARG 63 -10.957 -23.801 28.645 1.00 1.34 ATOM 983 CD ARG 63 -12.850 -24.606 28.061 1.00 12.03 ATOM 984 HD1 ARG 63 -12.405 -25.349 27.416 1.00 38.02 ATOM 985 HD2 ARG 63 -13.098 -23.729 27.479 1.00 65.23 ATOM 986 NE ARG 63 -14.077 -25.157 28.643 1.00 24.34 ATOM 987 HE ARG 63 -13.987 -25.926 29.243 1.00 25.13 ATOM 988 CZ ARG 63 -15.281 -24.703 28.405 1.00 33.14 ATOM 989 NH1 ARG 63 -15.466 -23.689 27.619 1.00 14.11 ATOM 990 HH11 ARG 63 -14.685 -23.242 27.185 1.00 62.04 ATOM 991 HH12 ARG 63 -16.391 -23.356 27.445 1.00 60.12 ATOM 992 NH2 ARG 63 -16.300 -25.270 28.958 1.00 74.10 ATOM 993 HH21 ARG 63 -16.163 -26.052 29.563 1.00 73.13 ATOM 994 HH22 ARG 63 -17.218 -24.924 28.786 1.00 54.44 ATOM 995 C ARG 63 -10.818 -23.782 31.985 1.00 4.04 ATOM 996 O ARG 63 -11.466 -24.242 32.926 1.00 14.23 ATOM 997 N GLU 64 -9.605 -24.239 31.659 1.00 54.32 ATOM 998 HN GLU 64 -9.197 -23.950 30.813 1.00 38.02 ATOM 999 CA GLU 64 -8.874 -25.182 32.519 1.00 3.03 ATOM 1000 HA GLU 64 -9.601 -25.755 33.079 1.00 31.43 ATOM 1001 CB GLU 64 -8.026 -26.142 31.673 1.00 63.13 ATOM 1002 HB1 GLU 64 -7.430 -26.755 32.335 1.00 38.02 ATOM 1003 HB2 GLU 64 -7.363 -25.559 31.049 1.00 63.32 ATOM 1004 CG GLU 64 -8.837 -27.065 30.772 1.00 50.32 ATOM 1005 HG1 GLU 64 -9.343 -26.468 30.025 1.00 38.02 ATOM 1006 HG2 GLU 64 -9.571 -27.584 31.373 1.00 2.35 ATOM 1007 CD GLU 64 -7.965 -28.093 30.068 1.00 33.23 ATOM 1008 OE1 GLU 64 -7.439 -27.790 28.979 1.00 14.10 ATOM 1009 OE2 GLU 64 -7.781 -29.201 30.614 1.00 32.23 ATOM 1010 C GLU 64 -7.966 -24.433 33.512 1.00 63.12 ATOM 1011 O GLU 64 -7.365 -25.040 34.397 1.00 2.23 ATOM 1012 N ARG 65 -7.886 -23.109 33.345 1.00 0.22 ATOM 1013 HN ARG 65 -8.415 -22.699 32.631 1.00 38.02 ATOM 1014 CA ARG 65 -7.049 -22.233 34.182 1.00 0.32 ATOM 1015 HA ARG 65 -7.207 -21.226 33.819 1.00 21.11 ATOM 1016 CB ARG 65 -7.489 -22.278 35.661 1.00 41.13 ATOM 1017 HB1 ARG 65 -6.741 -21.782 36.264 1.00 38.02 ATOM 1018 HB2 ARG 65 -7.560 -23.311 35.974 1.00 30.24 ATOM 1019 CG ARG 65 -8.840 -21.601 35.921 1.00 2.12 ATOM 1020 HG1 ARG 65 -8.851 -20.643 35.420 1.00 38.02 ATOM 1021 HG2 ARG 65 -8.953 -21.448 36.984 1.00 63.30 ATOM 1022 CD ARG 65 -10.016 -22.436 35.418 1.00 35.51 ATOM 1023 HD1 ARG 65 -10.212 -23.224 36.131 1.00 38.02 ATOM 1024 HD2 ARG 65 -9.752 -22.873 34.467 1.00 32.43 ATOM 1025 NE ARG 65 -11.230 -21.639 35.242 1.00 22.05 ATOM 1026 HE ARG 65 -11.150 -20.807 34.735 1.00 52.53 ATOM 1027 CZ ARG 65 -12.412 -21.984 35.675 1.00 73.44 ATOM 1028 NH1 ARG 65 -12.575 -23.054 36.388 1.00 51.35 ATOM 1029 HH11 ARG 65 -11.791 -23.625 36.615 1.00 53.33 ATOM 1030 HH12 ARG 65 -13.486 -23.303 36.712 1.00 33.01 ATOM 1031 NH2 ARG 65 -13.435 -21.246 35.392 1.00 72.11 ATOM 1032 HH21 ARG 65 -13.315 -20.421 34.843 1.00 12.22 ATOM 1033 HH22 ARG 65 -14.342 -21.504 35.715 1.00 1.24 ATOM 1034 C ARG 65 -5.547 -22.539 34.031 1.00 74.42 ATOM 1035 O ARG 65 -4.750 -22.264 34.930 1.00 12.02 ATOM 1036 N ARG 66 -5.163 -23.066 32.871 1.00 73.12 ATOM 1037 HN ARG 66 -5.845 -23.310 32.212 1.00 38.02 ATOM 1038 CA ARG 66 -3.749 -23.277 32.547 1.00 63.34 ATOM 1039 HA ARG 66 -3.260 -23.662 33.432 1.00 4.34 ATOM 1040 CB ARG 66 -3.600 -24.299 31.409 1.00 13.22 ATOM 1041 HB1 ARG 66 -2.595 -24.232 31.014 1.00 38.02 ATOM 1042 HB2 ARG 66 -4.300 -24.048 30.624 1.00 52.23 ATOM 1043 CG ARG 66 -3.850 -25.746 31.829 1.00 22.15 ATOM 1044 HG1 ARG 66 -4.861 -25.832 32.203 1.00 38.02 ATOM 1045 HG2 ARG 66 -3.153 -26.010 32.612 1.00 75.41 ATOM 1046 CD ARG 66 -3.669 -26.713 30.659 1.00 34.01 ATOM 1047 HD1 ARG 66 -3.636 -27.724 31.044 1.00 38.02 ATOM 1048 HD2 ARG 66 -2.735 -26.492 30.162 1.00 12.32 ATOM 1049 NE ARG 66 -4.762 -26.614 29.693 1.00 43.12 ATOM 1050 HE ARG 66 -5.659 -26.848 30.006 1.00 71.22 ATOM 1051 CZ ARG 66 -4.628 -26.271 28.438 1.00 52.23 ATOM 1052 NH1 ARG 66 -3.485 -25.903 27.953 1.00 63.11 ATOM 1053 HH11 ARG 66 -2.681 -25.869 28.535 1.00 71.33 ATOM 1054 HH12 ARG 66 -3.419 -25.653 26.984 1.00 31.12 ATOM 1055 NH2 ARG 66 -5.661 -26.276 27.673 1.00 40.22 ATOM 1056 HH21 ARG 66 -6.553 -26.537 28.042 1.00 61.43 ATOM 1057 HH22 ARG 66 -5.571 -26.028 26.707 1.00 45.35 ATOM 1058 C ARG 66 -3.071 -21.958 32.145 1.00 51.44 ATOM 1059 O ARG 66 -3.730 -21.007 31.717 1.00 43.42 ATOM 1060 N VAL 67 -1.751 -21.907 32.290 1.00 35.13 ATOM 1061 HN VAL 67 -1.285 -22.682 32.666 1.00 38.02 ATOM 1062 CA VAL 67 -0.972 -20.724 31.909 1.00 40.25 ATOM 1063 HA VAL 67 -1.626 -19.864 31.952 1.00 42.44 ATOM 1064 CB VAL 67 0.204 -20.492 32.894 1.00 61.42 ATOM 1065 HB VAL 67 0.881 -21.333 32.815 1.00 31.33 ATOM 1066 CG1 VAL 67 0.982 -19.224 32.535 1.00 60.12 ATOM 1067 HG11 VAL 67 1.790 -19.082 33.240 1.00 10.23 ATOM 1068 HG12 VAL 67 0.320 -18.370 32.574 1.00 3.53 ATOM 1069 HG13 VAL 67 1.388 -19.316 31.538 1.00 34.24 ATOM 1070 CG2 VAL 67 -0.307 -20.427 34.334 1.00 72.24 ATOM 1071 HG21 VAL 67 -0.810 -21.351 34.582 1.00 21.21 ATOM 1072 HG22 VAL 67 -1.000 -19.603 34.435 1.00 73.24 ATOM 1073 HG23 VAL 67 0.525 -20.279 35.009 1.00 61.34 ATOM 1074 C VAL 67 -0.421 -20.858 30.479 1.00 63.21 ATOM 1075 O VAL 67 -0.313 -19.876 29.745 1.00 54.13 ATOM 1076 N HIS 68 -0.083 -22.084 30.085 1.00 74.21 ATOM 1077 HN HIS 68 -0.240 -22.837 30.692 1.00 38.02 ATOM 1078 CA HIS 68 0.507 -22.341 28.768 1.00 24.42 ATOM 1079 HA HIS 68 0.886 -21.401 28.386 1.00 24.45 ATOM 1080 CB HIS 68 1.679 -23.318 28.900 1.00 63.32 ATOM 1081 HB1 HIS 68 2.069 -23.542 27.918 1.00 38.02 ATOM 1082 HB2 HIS 68 1.329 -24.231 29.360 1.00 13.22 ATOM 1083 CG HIS 68 2.804 -22.787 29.732 1.00 32.04 ATOM 1084 ND1 HIS 68 3.076 -23.234 31.007 1.00 3.34 ATOM 1085 HD1 HIS 68 2.583 -23.936 31.487 1.00 73.22 ATOM 1086 CD2 HIS 68 3.732 -21.837 29.464 1.00 51.43 ATOM 1087 HD2 HIS 68 3.822 -21.266 28.550 1.00 75.41 ATOM 1088 CE1 HIS 68 4.118 -22.585 31.484 1.00 5.34 ATOM 1089 HE1 HIS 68 4.559 -22.728 32.460 1.00 4.51 ATOM 1090 NE2 HIS 68 4.535 -21.733 30.571 1.00 23.21 ATOM 1091 HE2 HIS 68 5.377 -21.230 30.614 1.00 38.02 ATOM 1092 C HIS 68 -0.519 -22.895 27.767 1.00 31.40 ATOM 1093 O HIS 68 -1.169 -23.914 28.020 1.00 12.14 ATOM 1094 N VAL 69 -0.650 -22.216 26.627 1.00 71.14 ATOM 1095 HN VAL 69 -0.158 -21.376 26.520 1.00 38.02 ATOM 1096 CA VAL 69 -1.503 -22.681 25.529 1.00 44.22 ATOM 1097 HA VAL 69 -2.371 -23.163 25.961 1.00 73.12 ATOM 1098 CB VAL 69 -1.985 -21.501 24.645 1.00 15.15 ATOM 1099 HB VAL 69 -1.121 -21.061 24.167 1.00 43.13 ATOM 1100 CG1 VAL 69 -2.932 -21.989 23.549 1.00 42.24 ATOM 1101 HG11 VAL 69 -3.802 -22.447 23.999 1.00 51.14 ATOM 1102 HG12 VAL 69 -2.425 -22.715 22.930 1.00 52.33 ATOM 1103 HG13 VAL 69 -3.242 -21.152 22.939 1.00 13.54 ATOM 1104 CG2 VAL 69 -2.651 -20.426 25.503 1.00 61.43 ATOM 1105 HG21 VAL 69 -3.495 -20.853 26.026 1.00 51.15 ATOM 1106 HG22 VAL 69 -2.991 -19.618 24.872 1.00 24.40 ATOM 1107 HG23 VAL 69 -1.939 -20.046 26.222 1.00 53.10 ATOM 1108 C VAL 69 -0.746 -23.696 24.658 1.00 33.51 ATOM 1109 O VAL 69 0.394 -23.453 24.246 1.00 31.24 ATOM 1110 N THR 70 -1.380 -24.827 24.374 1.00 31.14 ATOM 1111 HN THR 70 -2.324 -24.925 24.633 1.00 38.02 ATOM 1112 CA THR 70 -0.716 -25.928 23.665 1.00 42.34 ATOM 1113 HA THR 70 0.353 -25.764 23.713 1.00 43.43 ATOM 1114 CB THR 70 -1.024 -27.292 24.327 1.00 43.03 ATOM 1115 HB THR 70 -0.361 -28.037 23.910 1.00 24.21 ATOM 1116 OG1 THR 70 -2.381 -27.672 24.052 1.00 71.42 ATOM 1117 HG1 THR 70 -2.963 -27.296 24.726 1.00 13.44 ATOM 1118 CG2 THR 70 -0.808 -27.235 25.838 1.00 42.42 ATOM 1119 HG21 THR 70 -1.002 -28.207 26.268 1.00 12.12 ATOM 1120 HG22 THR 70 -1.481 -26.510 26.275 1.00 21.44 ATOM 1121 HG23 THR 70 0.213 -26.946 26.048 1.00 20.55 ATOM 1122 C THR 70 -1.142 -26.009 22.196 1.00 33.11 ATOM 1123 O THR 70 -2.130 -25.401 21.785 1.00 11.22 ATOM 1124 N GLN 71 -0.389 -26.778 21.407 1.00 11.32 ATOM 1125 HN GLN 71 0.438 -27.160 21.765 1.00 38.02 ATOM 1126 CA GLN 71 -0.766 -27.064 20.017 1.00 62.31 ATOM 1127 HA GLN 71 -0.820 -26.125 19.482 1.00 50.34 ATOM 1128 CB GLN 71 0.294 -27.962 19.361 1.00 31.50 ATOM 1129 HB1 GLN 71 0.366 -28.881 19.927 1.00 38.02 ATOM 1130 HB2 GLN 71 1.248 -27.454 19.398 1.00 32.21 ATOM 1131 CG GLN 71 -0.004 -28.317 17.907 1.00 1.32 ATOM 1132 HG1 GLN 71 0.031 -27.411 17.315 1.00 38.02 ATOM 1133 HG2 GLN 71 -0.994 -28.743 17.847 1.00 74.21 ATOM 1134 CD GLN 71 0.984 -29.315 17.328 1.00 73.02 ATOM 1135 OE1 GLN 71 1.527 -30.155 18.035 1.00 23.43 ATOM 1136 NE2 GLN 71 1.240 -29.224 16.041 1.00 64.11 ATOM 1137 HE21 GLN 71 0.793 -28.520 15.526 1.00 63.01 ATOM 1138 HE22 GLN 71 1.870 -29.867 15.654 1.00 52.51 ATOM 1139 C GLN 71 -2.140 -27.754 19.967 1.00 65.34 ATOM 1140 O GLN 71 -2.922 -27.556 19.034 1.00 42.44 ATOM 1141 N GLU 72 -2.415 -28.550 21.000 1.00 65.13 ATOM 1142 HN GLU 72 -1.747 -28.647 21.709 1.00 38.02 ATOM 1143 CA GLU 72 -3.677 -29.280 21.122 1.00 71.13 ATOM 1144 HA GLU 72 -3.801 -29.879 20.232 1.00 51.21 ATOM 1145 CB GLU 72 -3.614 -30.206 22.344 1.00 21.14 ATOM 1146 HB1 GLU 72 -4.498 -30.830 22.357 1.00 38.02 ATOM 1147 HB2 GLU 72 -3.597 -29.602 23.241 1.00 15.41 ATOM 1148 CG GLU 72 -2.385 -31.115 22.351 1.00 51.45 ATOM 1149 HG1 GLU 72 -1.498 -30.496 22.294 1.00 38.02 ATOM 1150 HG2 GLU 72 -2.424 -31.756 21.482 1.00 20.42 ATOM 1151 CD GLU 72 -2.292 -31.988 23.593 1.00 51.23 ATOM 1152 OE1 GLU 72 -2.870 -33.097 23.592 1.00 75.53 ATOM 1153 OE2 GLU 72 -1.645 -31.569 24.580 1.00 32.24 ATOM 1154 C GLU 72 -4.866 -28.311 21.239 1.00 61.24 ATOM 1155 O GLU 72 -5.929 -28.539 20.657 1.00 21.43 ATOM 1156 N ASP 73 -4.674 -27.222 21.983 1.00 22.41 ATOM 1157 HN ASP 73 -3.824 -27.117 22.463 1.00 38.02 ATOM 1158 CA ASP 73 -5.698 -26.182 22.112 1.00 61.12 ATOM 1159 HA ASP 73 -6.612 -26.661 22.441 1.00 33.11 ATOM 1160 CB ASP 73 -5.279 -25.144 23.162 1.00 3.44 ATOM 1161 HB1 ASP 73 -6.015 -24.353 23.196 1.00 38.02 ATOM 1162 HB2 ASP 73 -4.322 -24.725 22.882 1.00 50.05 ATOM 1163 CG ASP 73 -5.159 -25.749 24.553 1.00 14.31 ATOM 1164 OD1 ASP 73 -4.059 -25.692 25.152 1.00 62.35 ATOM 1165 OD2 ASP 73 -6.165 -26.288 25.058 1.00 22.51 ATOM 1166 C ASP 73 -5.966 -25.499 20.756 1.00 71.50 ATOM 1167 O ASP 73 -7.117 -25.225 20.405 1.00 62.52 ATOM 1168 N PHE 74 -4.901 -25.239 19.993 1.00 72.31 ATOM 1169 HN PHE 74 -4.006 -25.452 20.335 1.00 38.02 ATOM 1170 CA PHE 74 -5.035 -24.638 18.658 1.00 64.03 ATOM 1171 HA PHE 74 -5.566 -23.701 18.781 1.00 63.30 ATOM 1172 CB PHE 74 -3.655 -24.337 18.055 1.00 20.12 ATOM 1173 HB1 PHE 74 -3.740 -24.292 16.977 1.00 38.02 ATOM 1174 HB2 PHE 74 -2.972 -25.132 18.321 1.00 62.33 ATOM 1175 CG PHE 74 -3.053 -23.035 18.526 1.00 23.33 ATOM 1176 CD1 PHE 74 -2.338 -22.966 19.712 1.00 34.41 ATOM 1177 HD1 PHE 74 -2.214 -23.858 20.307 1.00 12.41 ATOM 1178 CD2 PHE 74 -3.202 -21.875 17.774 1.00 61.33 ATOM 1179 HD2 PHE 74 -3.757 -21.911 16.848 1.00 2.54 ATOM 1180 CE1 PHE 74 -1.787 -21.771 20.137 1.00 1.00 ATOM 1181 HE1 PHE 74 -1.232 -21.733 21.064 1.00 33.51 ATOM 1182 CE2 PHE 74 -2.654 -20.678 18.196 1.00 13.20 ATOM 1183 HE2 PHE 74 -2.778 -19.785 17.601 1.00 62.00 ATOM 1184 CZ PHE 74 -1.944 -20.627 19.379 1.00 2.10 ATOM 1185 HZ PHE 74 -1.513 -19.694 19.712 1.00 65.41 ATOM 1186 C PHE 74 -5.851 -25.525 17.701 1.00 2.32 ATOM 1187 O PHE 74 -6.786 -25.050 17.056 1.00 4.42 ATOM 1188 N GLU 75 -5.505 -26.810 17.608 1.00 41.32 ATOM 1189 HN GLU 75 -4.745 -27.144 18.135 1.00 38.02 ATOM 1190 CA GLU 75 -6.240 -27.731 16.727 1.00 72.14 ATOM 1191 HA GLU 75 -6.276 -27.270 15.749 1.00 21.21 ATOM 1192 CB GLU 75 -5.517 -29.078 16.596 1.00 41.30 ATOM 1193 HB1 GLU 75 -4.558 -28.908 16.127 1.00 38.02 ATOM 1194 HB2 GLU 75 -6.103 -29.725 15.960 1.00 52.34 ATOM 1195 CG GLU 75 -5.278 -29.802 17.914 1.00 34.23 ATOM 1196 HG1 GLU 75 -6.233 -30.023 18.373 1.00 38.02 ATOM 1197 HG2 GLU 75 -4.707 -29.158 18.569 1.00 52.02 ATOM 1198 CD GLU 75 -4.513 -31.101 17.722 1.00 53.12 ATOM 1199 OE1 GLU 75 -5.155 -32.167 17.623 1.00 60.30 ATOM 1200 OE2 GLU 75 -3.264 -31.055 17.640 1.00 71.23 ATOM 1201 C GLU 75 -7.690 -27.926 17.205 1.00 42.25 ATOM 1202 O GLU 75 -8.597 -28.122 16.395 1.00 42.54 ATOM 1203 N MET 76 -7.905 -27.863 18.522 1.00 32.21 ATOM 1204 HN MET 76 -7.135 -27.842 19.133 1.00 38.02 ATOM 1205 CA MET 76 -9.266 -27.841 19.077 1.00 50.41 ATOM 1206 HA MET 76 -9.781 -28.720 18.715 1.00 4.22 ATOM 1207 CB MET 76 -9.231 -27.882 20.613 1.00 73.04 ATOM 1208 HB1 MET 76 -10.193 -27.565 20.994 1.00 38.02 ATOM 1209 HB2 MET 76 -8.473 -27.196 20.962 1.00 1.42 ATOM 1210 CG MET 76 -8.926 -29.261 21.182 1.00 61.54 ATOM 1211 HG1 MET 76 -8.896 -29.196 22.261 1.00 38.02 ATOM 1212 HG2 MET 76 -7.962 -29.583 20.817 1.00 72.33 ATOM 1213 SD MET 76 -10.163 -30.490 20.709 1.00 22.03 ATOM 1214 CE MET 76 -11.660 -29.748 21.360 1.00 4.15 ATOM 1215 HE1 MET 76 -11.813 -28.781 20.902 1.00 12.33 ATOM 1216 HE2 MET 76 -11.569 -29.631 22.431 1.00 33.24 ATOM 1217 HE3 MET 76 -12.503 -30.386 21.139 1.00 72.25 ATOM 1218 C MET 76 -10.033 -26.598 18.602 1.00 43.14 ATOM 1219 O MET 76 -11.251 -26.634 18.413 1.00 24.11 ATOM 1220 N ALA 77 -9.316 -25.492 18.428 1.00 3.20 ATOM 1221 HN ALA 77 -8.372 -25.490 18.698 1.00 38.02 ATOM 1222 CA ALA 77 -9.899 -24.272 17.865 1.00 54.00 ATOM 1223 HA ALA 77 -10.836 -24.088 18.373 1.00 1.11 ATOM 1224 CB ALA 77 -8.983 -23.084 18.122 1.00 14.31 ATOM 1225 HB1 ALA 77 -8.043 -23.235 17.611 1.00 53.10 ATOM 1226 HB2 ALA 77 -8.802 -22.993 19.184 1.00 12.05 ATOM 1227 HB3 ALA 77 -9.450 -22.180 17.759 1.00 34.41 ATOM 1228 C ALA 77 -10.177 -24.437 16.363 1.00 2.41 ATOM 1229 O ALA 77 -11.177 -23.938 15.847 1.00 24.40 ATOM 1230 N VAL 78 -9.293 -25.152 15.667 1.00 44.50 ATOM 1231 HN VAL 78 -8.477 -25.464 16.114 1.00 38.02 ATOM 1232 CA VAL 78 -9.501 -25.474 14.250 1.00 71.52 ATOM 1233 HA VAL 78 -9.607 -24.542 13.710 1.00 3.13 ATOM 1234 CB VAL 78 -8.294 -26.244 13.659 1.00 44.33 ATOM 1235 HB VAL 78 -8.166 -27.156 14.226 1.00 44.14 ATOM 1236 CG1 VAL 78 -8.547 -26.623 12.202 1.00 70.05 ATOM 1237 HG11 VAL 78 -9.396 -27.289 12.144 1.00 10.45 ATOM 1238 HG12 VAL 78 -7.675 -27.119 11.801 1.00 51.10 ATOM 1239 HG13 VAL 78 -8.750 -25.731 11.626 1.00 40.22 ATOM 1240 CG2 VAL 78 -7.016 -25.419 13.785 1.00 23.45 ATOM 1241 HG21 VAL 78 -6.826 -25.204 14.827 1.00 42.40 ATOM 1242 HG22 VAL 78 -7.128 -24.490 13.244 1.00 44.44 ATOM 1243 HG23 VAL 78 -6.183 -25.974 13.375 1.00 34.00 ATOM 1244 C VAL 78 -10.782 -26.303 14.058 1.00 24.53 ATOM 1245 O VAL 78 -11.584 -26.032 13.162 1.00 12.40 ATOM 1246 N ALA 79 -10.971 -27.313 14.910 1.00 21.51 ATOM 1247 HN ALA 79 -10.259 -27.535 15.549 1.00 38.02 ATOM 1248 CA ALA 79 -12.206 -28.109 14.908 1.00 5.45 ATOM 1249 HA ALA 79 -12.326 -28.538 13.921 1.00 62.23 ATOM 1250 CB ALA 79 -12.103 -29.253 15.914 1.00 24.34 ATOM 1251 HB1 ALA 79 -12.011 -28.849 16.913 1.00 15.33 ATOM 1252 HB2 ALA 79 -11.234 -29.854 15.689 1.00 25.03 ATOM 1253 HB3 ALA 79 -12.990 -29.868 15.855 1.00 53.13 ATOM 1254 C ALA 79 -13.430 -27.232 15.221 1.00 12.34 ATOM 1255 O ALA 79 -14.523 -27.454 14.702 1.00 5.42 ATOM 1256 N LYS 80 -13.224 -26.234 16.076 1.00 10.34 ATOM 1257 HN LYS 80 -12.340 -26.148 16.494 1.00 38.02 ATOM 1258 CA LYS 80 -14.268 -25.270 16.435 1.00 23.41 ATOM 1259 HA LYS 80 -15.129 -25.826 16.777 1.00 1.23 ATOM 1260 CB LYS 80 -13.763 -24.379 17.582 1.00 24.01 ATOM 1261 HB1 LYS 80 -12.832 -23.920 17.276 1.00 38.02 ATOM 1262 HB2 LYS 80 -13.570 -25.001 18.447 1.00 14.14 ATOM 1263 CG LYS 80 -14.724 -23.267 18.001 1.00 73.34 ATOM 1264 HG1 LYS 80 -14.961 -22.669 17.132 1.00 38.02 ATOM 1265 HG2 LYS 80 -14.237 -22.646 18.739 1.00 13.53 ATOM 1266 CD LYS 80 -16.022 -23.808 18.596 1.00 72.22 ATOM 1267 HD1 LYS 80 -16.535 -24.389 17.840 1.00 38.02 ATOM 1268 HD2 LYS 80 -16.643 -22.976 18.891 1.00 55.10 ATOM 1269 CE LYS 80 -15.773 -24.691 19.816 1.00 23.42 ATOM 1270 HE1 LYS 80 -15.282 -25.600 19.496 1.00 38.02 ATOM 1271 HE2 LYS 80 -16.725 -24.938 20.264 1.00 24.31 ATOM 1272 NZ LYS 80 -14.925 -24.019 20.838 1.00 31.31 ATOM 1273 HZ1 LYS 80 -13.931 -24.018 20.536 1.00 13.13 ATOM 1274 HZ2 LYS 80 -14.996 -24.518 21.749 1.00 43.34 ATOM 1275 HZ3 LYS 80 -15.230 -23.033 20.970 1.00 41.52 ATOM 1276 C LYS 80 -14.682 -24.400 15.232 1.00 43.35 ATOM 1277 O LYS 80 -15.867 -24.131 15.027 1.00 71.11 ATOM 1278 N VAL 81 -13.702 -23.961 14.442 1.00 62.41 ATOM 1279 HN VAL 81 -12.779 -24.233 14.634 1.00 38.02 ATOM 1280 CA VAL 81 -13.963 -23.071 13.303 1.00 53.53 ATOM 1281 HA VAL 81 -14.844 -22.488 13.538 1.00 62.11 ATOM 1282 CB VAL 81 -12.783 -22.086 13.084 1.00 52.30 ATOM 1283 HB VAL 81 -11.901 -22.666 12.852 1.00 52.45 ATOM 1284 CG1 VAL 81 -13.059 -21.156 11.902 1.00 54.11 ATOM 1285 HG11 VAL 81 -13.188 -21.742 11.002 1.00 34.14 ATOM 1286 HG12 VAL 81 -12.226 -20.479 11.772 1.00 0.43 ATOM 1287 HG13 VAL 81 -13.958 -20.587 12.091 1.00 51.31 ATOM 1288 CG2 VAL 81 -12.501 -21.283 14.356 1.00 1.23 ATOM 1289 HG21 VAL 81 -13.372 -20.698 14.615 1.00 33.12 ATOM 1290 HG22 VAL 81 -11.662 -20.623 14.188 1.00 13.42 ATOM 1291 HG23 VAL 81 -12.268 -21.960 15.166 1.00 44.34 ATOM 1292 C VAL 81 -14.226 -23.850 11.999 1.00 3.25 ATOM 1293 O VAL 81 -15.314 -23.766 11.422 1.00 65.03 ATOM 1294 N MET 82 -13.229 -24.615 11.542 1.00 3.31 ATOM 1295 HN MET 82 -12.418 -24.708 12.081 1.00 38.02 ATOM 1296 CA MET 82 -13.322 -25.326 10.256 1.00 34.12 ATOM 1297 HA MET 82 -13.594 -24.601 9.501 1.00 44.41 ATOM 1298 CB MET 82 -11.960 -25.935 9.883 1.00 61.33 ATOM 1299 HB1 MET 82 -12.063 -26.475 8.951 1.00 38.02 ATOM 1300 HB2 MET 82 -11.664 -26.629 10.657 1.00 44.23 ATOM 1301 CG MET 82 -10.848 -24.904 9.714 1.00 74.42 ATOM 1302 HG1 MET 82 -9.927 -25.423 9.487 1.00 38.02 ATOM 1303 HG2 MET 82 -10.733 -24.364 10.643 1.00 14.33 ATOM 1304 SD MET 82 -11.183 -23.718 8.396 1.00 4.53 ATOM 1305 CE MET 82 -11.245 -24.791 6.960 1.00 22.42 ATOM 1306 HE1 MET 82 -11.442 -24.201 6.077 1.00 63.12 ATOM 1307 HE2 MET 82 -12.031 -25.521 7.087 1.00 53.11 ATOM 1308 HE3 MET 82 -10.297 -25.298 6.849 1.00 13.23 ATOM 1309 C MET 82 -14.394 -26.427 10.281 1.00 44.03 ATOM 1310 O MET 82 -15.039 -26.690 9.265 1.00 64.02 ATOM 1311 N GLN 83 -14.581 -27.061 11.448 1.00 62.20 ATOM 1312 HN GLN 83 -14.007 -26.828 12.210 1.00 38.02 ATOM 1313 CA GLN 83 -15.632 -28.082 11.637 1.00 20.01 ATOM 1314 HA GLN 83 -15.453 -28.556 12.592 1.00 12.24 ATOM 1315 CB GLN 83 -17.002 -27.387 11.684 1.00 52.24 ATOM 1316 HB1 GLN 83 -17.774 -28.137 11.788 1.00 38.02 ATOM 1317 HB2 GLN 83 -17.155 -26.851 10.757 1.00 71.30 ATOM 1318 CG GLN 83 -17.135 -26.398 12.840 1.00 73.23 ATOM 1319 HG1 GLN 83 -16.238 -25.795 12.884 1.00 38.02 ATOM 1320 HG2 GLN 83 -17.235 -26.953 13.761 1.00 0.43 ATOM 1321 CD GLN 83 -18.333 -25.475 12.699 1.00 14.42 ATOM 1322 OE1 GLN 83 -19.433 -25.776 13.158 1.00 32.12 ATOM 1323 NE2 GLN 83 -18.130 -24.338 12.065 1.00 5.31 ATOM 1324 HE21 GLN 83 -17.228 -24.152 11.723 1.00 51.31 ATOM 1325 HE22 GLN 83 -18.885 -23.725 11.962 1.00 24.24 ATOM 1326 C GLN 83 -15.605 -29.174 10.545 1.00 10.25 ATOM 1327 O GLN 83 -16.627 -29.783 10.225 1.00 13.24 ATOM 1328 N LYS 84 -14.416 -29.440 10.011 1.00 64.54 ATOM 1329 HN LYS 84 -13.634 -28.960 10.346 1.00 38.02 ATOM 1330 CA LYS 84 -14.236 -30.422 8.935 1.00 53.52 ATOM 1331 HA LYS 84 -14.944 -30.191 8.151 1.00 52.10 ATOM 1332 CB LYS 84 -12.813 -30.292 8.368 1.00 35.20 ATOM 1333 HB1 LYS 84 -12.106 -30.426 9.176 1.00 38.02 ATOM 1334 HB2 LYS 84 -12.692 -29.297 7.964 1.00 63.11 ATOM 1335 CG LYS 84 -12.472 -31.294 7.266 1.00 23.30 ATOM 1336 HG1 LYS 84 -12.616 -32.297 7.647 1.00 38.02 ATOM 1337 HG2 LYS 84 -11.437 -31.162 6.985 1.00 71.33 ATOM 1338 CD LYS 84 -13.344 -31.104 6.027 1.00 62.31 ATOM 1339 HD1 LYS 84 -13.223 -30.091 5.665 1.00 38.02 ATOM 1340 HD2 LYS 84 -14.378 -31.269 6.297 1.00 52.24 ATOM 1341 CE LYS 84 -12.964 -32.076 4.915 1.00 34.04 ATOM 1342 HE1 LYS 84 -11.923 -31.929 4.665 1.00 38.02 ATOM 1343 HE2 LYS 84 -13.572 -31.865 4.048 1.00 63.43 ATOM 1344 NZ LYS 84 -13.168 -33.497 5.312 1.00 74.12 ATOM 1345 HZ1 LYS 84 -14.165 -33.659 5.566 1.00 74.03 ATOM 1346 HZ2 LYS 84 -12.569 -33.736 6.129 1.00 73.13 ATOM 1347 HZ3 LYS 84 -12.919 -34.124 4.523 1.00 41.21 ATOM 1348 C LYS 84 -14.478 -31.865 9.420 1.00 14.04 ATOM 1349 O LYS 84 -14.057 -32.242 10.513 1.00 11.44 ATOM 1350 N ASP 85 -15.168 -32.665 8.605 1.00 60.33 ATOM 1351 HN ASP 85 -15.573 -32.288 7.795 1.00 38.02 ATOM 1352 CA ASP 85 -15.348 -34.092 8.898 1.00 32.51 ATOM 1353 HA ASP 85 -15.384 -34.207 9.974 1.00 75.32 ATOM 1354 CB ASP 85 -16.660 -34.613 8.300 1.00 1.32 ATOM 1355 HB1 ASP 85 -16.747 -35.672 8.503 1.00 38.02 ATOM 1356 HB2 ASP 85 -16.647 -34.459 7.230 1.00 11.15 ATOM 1357 CG ASP 85 -17.881 -33.918 8.872 1.00 34.51 ATOM 1358 OD1 ASP 85 -18.693 -33.387 8.085 1.00 24.14 ATOM 1359 OD2 ASP 85 -18.036 -33.902 10.108 1.00 25.10 ATOM 1360 C ASP 85 -14.165 -34.912 8.357 1.00 52.30 ATOM 1361 O ASP 85 -14.069 -35.166 7.152 1.00 52.43 ATOM 1362 N SER 86 -13.259 -35.290 9.255 1.00 13.54 ATOM 1363 HN SER 86 -13.387 -35.023 10.190 1.00 38.02 ATOM 1364 HA SER 86 -12.406 -36.881 8.228 1.00 13.53 ATOM 1365 CB SER 86 -11.006 -35.249 8.199 1.00 64.03 ATOM 1366 HB1 SER 86 -10.098 -35.824 8.098 1.00 38.02 ATOM 1367 HB2 SER 86 -10.805 -34.366 8.787 1.00 25.21 ATOM 1368 OG SER 86 -11.433 -34.845 6.904 1.00 41.21 ATOM 1369 HG SER 86 -11.580 -35.634 6.363 1.00 63.02 ATOM 1370 CA SER 86 -12.078 -36.103 8.906 1.00 40.44 ATOM 1371 C SER 86 -11.485 -36.771 10.161 1.00 62.45 ATOM 1372 OT1 SER 86 -10.478 -36.264 10.703 1.00 38.02 ATOM 1373 OT2 SER 86 -12.051 -37.787 10.619 1.00 38.02 ATOM 1374 OH2 TIP3 1 -13.626 -36.961 -1.762 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -13.684 -37.473 -2.572 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -14.555 -36.709 -1.569 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -17.262 -31.498 6.786 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.895 -30.820 6.472 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -17.817 -32.098 7.343 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -20.458 -35.657 7.686 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -20.163 -35.589 6.757 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.974 -34.936 8.137 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.946 -35.405 11.305 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -19.276 -34.781 10.919 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -20.599 -34.817 11.742 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -9.308 -41.537 11.030 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -10.214 -41.571 11.407 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -9.157 -42.445 10.691 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -17.709 -40.881 10.443 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -17.992 -41.734 10.103 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -18.542 -40.433 10.696 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -13.585 -40.029 13.605 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -14.311 -39.937 12.960 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -13.506 -39.142 14.009 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -18.994 -34.541 5.583 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -18.848 -33.908 4.843 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -18.901 -33.989 6.393 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -22.304 -37.248 12.813 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -22.232 -38.159 13.155 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -22.066 -37.326 11.879 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -15.948 -33.201 5.164 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.414 -32.534 5.715 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.565 -33.365 4.426 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -19.117 -37.473 12.837 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -19.470 -37.363 13.739 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -19.407 -36.658 12.361 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -23.111 -35.058 7.948 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -23.512 -35.739 8.494 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -22.174 -35.336 7.865 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -22.103 -34.495 12.784 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -22.260 -34.062 13.654 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -22.326 -35.439 12.942 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -14.730 -37.286 4.081 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -14.407 -37.728 4.889 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -15.613 -36.952 4.328 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -19.505 -30.015 6.142 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -20.450 -30.247 6.015 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -19.519 -29.366 6.866 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -15.728 -30.052 1.674 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -16.461 -30.614 1.965 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -14.974 -30.681 1.559 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -22.556 -33.244 15.198 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -22.145 -32.417 15.522 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -23.519 -33.057 15.223 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -16.119 -24.217 3.574 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -16.154 -23.246 3.424 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -15.579 -24.552 2.827 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.784 -29.780 -1.854 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.274 -29.184 -2.427 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -17.356 -29.185 -1.201 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.083 -30.221 3.828 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -17.655 -29.354 3.815 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -18.700 -30.169 4.593 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -19.961 -39.509 11.239 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -20.402 -38.957 10.554 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -19.520 -38.850 11.825 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -17.299 -36.583 4.990 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.842 -36.953 4.287 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -17.796 -35.784 5.279 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -20.934 -37.407 9.785 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -20.863 -37.071 8.871 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -20.568 -36.677 10.334 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -20.695 -32.133 9.486 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -20.007 -32.615 8.966 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -20.174 -31.605 10.126 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -18.163 -32.951 3.495 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -18.217 -33.120 2.527 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -18.186 -31.971 3.568 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -12.691 -33.728 14.472 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -13.562 -33.871 14.047 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -12.911 -33.591 15.418 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -23.044 -32.626 10.982 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -22.230 -32.393 10.501 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -22.758 -33.319 11.613 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -18.385 -33.074 0.779 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.879 -32.883 -0.042 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -19.295 -32.871 0.545 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -14.546 -28.532 3.707 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -15.288 -27.968 4.013 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -14.933 -29.063 2.985 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -16.196 -36.190 -1.118 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -16.665 -35.356 -1.237 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -16.357 -36.424 -0.196 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.334 -32.446 -1.647 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.853 -32.617 -2.460 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.513 -31.476 -1.674 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -15.437 -39.804 11.490 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -16.201 -40.272 11.080 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -15.843 -39.017 11.917 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -25.245 -32.496 15.120 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -26.071 -32.979 15.025 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -25.338 -31.735 14.495 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -16.768 -28.062 0.059 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -16.269 -28.745 0.565 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -17.232 -27.562 0.736 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -20.224 -34.033 16.657 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -21.004 -34.163 16.090 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -19.646 -34.801 16.458 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -15.165 -34.390 13.556 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.734 -33.729 13.098 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -14.862 -34.987 12.837 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -12.444 -37.011 2.656 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -11.888 -37.288 3.406 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -13.363 -37.182 2.968 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -21.602 -39.870 13.439 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -22.019 -40.737 13.459 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -21.002 -39.909 12.665 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -16.504 -32.638 11.913 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.730 -32.335 11.409 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.043 -33.143 11.252 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -13.356 -36.290 20.600 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -12.541 -36.807 20.749 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.101 -35.641 19.914 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -12.719 -34.285 2.652 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -11.769 -34.062 2.752 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -12.715 -35.234 2.401 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -13.646 -38.417 6.454 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -13.408 -39.177 7.000 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -14.500 -38.102 6.843 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -11.856 -35.998 0.099 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -12.448 -36.373 -0.591 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -12.030 -36.545 0.888 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -16.171 -37.826 7.168 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.573 -37.313 6.434 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.887 -37.942 7.798 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -14.238 -36.296 11.816 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -13.556 -36.920 11.488 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -15.015 -36.864 11.998 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -10.576 -38.248 15.853 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -9.905 -37.814 15.286 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -10.456 -39.201 15.670 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -11.782 -41.284 12.082 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -12.256 -41.017 11.265 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -12.402 -41.032 12.808 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -16.425 -37.661 12.811 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -16.240 -37.323 13.714 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -17.400 -37.579 12.723 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -25.327 -31.140 11.028 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -25.417 -30.948 10.079 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -24.513 -31.692 11.083 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -21.743 -30.610 16.040 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -22.640 -30.393 16.386 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -21.597 -29.962 15.339 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -25.275 -31.195 8.213 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -24.400 -31.626 8.068 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -25.912 -31.903 8.074 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -22.874 -32.375 7.771 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -23.013 -33.351 7.764 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -22.154 -32.243 8.427 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -16.125 -30.410 26.156 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -16.812 -30.027 25.576 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -15.394 -30.608 25.553 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -13.856 -27.736 26.852 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -14.192 -28.406 27.475 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -12.879 -27.769 26.963 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -11.798 -32.524 26.817 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -12.002 -32.398 25.858 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -12.656 -32.720 27.217 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.643 -32.092 24.283 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -13.415 -31.511 24.103 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -12.371 -32.400 23.412 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -9.798 -33.622 28.425 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -9.382 -32.762 28.655 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -10.464 -33.390 27.745 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -11.073 -30.332 28.282 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -10.143 -30.530 28.543 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -11.266 -30.989 27.577 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -13.052 -33.026 17.133 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -12.217 -32.536 17.035 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -12.823 -33.765 17.741 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -11.683 -29.704 30.975 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -12.636 -29.854 30.979 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -11.432 -29.787 30.037 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -17.242 -29.303 23.858 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -17.525 -29.511 22.941 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -17.591 -28.399 24.014 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -15.012 -31.015 20.862 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -14.982 -31.167 19.891 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -15.249 -31.894 21.231 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -17.900 -32.432 21.089 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -17.896 -32.865 20.215 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -17.175 -32.867 21.576 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -15.790 -36.516 15.231 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -15.616 -35.645 14.809 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -14.902 -36.913 15.329 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -17.977 -31.744 38.247 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -17.061 -31.627 38.573 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.172 -30.902 37.786 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -16.710 -33.702 39.782 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -17.416 -33.336 39.222 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -16.769 -34.652 39.651 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -15.595 -33.287 22.328 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.478 -34.265 22.413 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.473 -32.956 23.228 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -17.742 -33.422 18.479 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.046 -34.242 18.061 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -18.387 -32.748 18.175 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -13.424 -31.432 29.287 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -12.660 -30.963 28.907 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -13.018 -32.130 29.846 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -18.380 -36.022 16.328 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -17.457 -36.201 16.059 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -18.849 -36.861 16.146 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -24.392 -30.227 16.473 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -24.774 -29.666 15.783 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -24.752 -31.113 16.286 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.518 -31.571 17.411 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -19.783 -32.464 17.089 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -20.244 -30.991 17.110 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.297 -31.935 18.302 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -14.509 -32.272 17.820 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.928 -32.681 18.280 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -19.840 -38.245 15.547 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -19.502 -39.138 15.679 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -20.777 -38.374 15.344 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -13.067 -37.505 14.724 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -12.662 -36.875 14.098 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -12.324 -37.771 15.302 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -17.773 -27.276 19.927 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -17.471 -27.383 19.002 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -17.796 -28.193 20.278 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -15.135 -35.940 22.576 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -14.513 -36.027 21.813 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -15.175 -36.824 22.947 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -11.657 -33.113 30.546 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -11.018 -33.511 29.926 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -11.124 -32.869 31.311 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -11.140 -27.759 27.275 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -10.273 -27.575 26.847 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -11.022 -28.640 27.678 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -15.351 -26.206 22.571 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -15.197 -26.151 23.536 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -16.134 -26.767 22.488 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -17.555 -26.287 35.433 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -16.855 -26.200 36.092 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -18.376 -26.264 35.957 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.261 -27.425 30.369 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.746 -27.581 31.202 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.338 -28.274 29.877 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -15.253 -29.555 28.598 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -14.743 -30.333 28.918 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -15.719 -29.889 27.795 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -17.542 -29.751 21.192 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -16.624 -29.972 20.946 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.020 -30.607 21.107 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.395 -31.298 39.315 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.654 -32.157 39.710 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -14.419 -31.379 39.188 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -7.281 -31.024 38.613 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -7.378 -30.280 39.243 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -6.758 -30.648 37.877 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -15.304 -26.309 42.939 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -14.774 -26.125 43.718 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -14.901 -27.126 42.560 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -12.696 -31.692 39.136 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -12.162 -31.478 39.922 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -12.047 -32.026 38.497 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -8.887 -28.403 -1.408 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -9.435 -29.111 -1.043 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -8.292 -28.866 -2.048 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -12.545 -18.634 -4.456 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -12.153 -17.979 -5.082 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -12.537 -19.476 -4.955 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -11.538 -16.844 -6.209 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -10.670 -16.795 -6.656 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -12.055 -16.114 -6.610 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -10.723 -13.215 -5.619 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -10.953 -13.547 -4.727 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -11.591 -13.091 -6.060 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.049 -23.867 -2.822 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.647 -23.383 -3.424 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.651 -24.266 -2.151 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -14.069 -11.032 -4.439 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -14.927 -11.325 -4.113 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -13.458 -11.211 -3.696 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -14.226 -15.303 -9.607 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -13.922 -16.014 -10.179 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -14.955 -14.902 -10.090 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -15.692 -20.338 -2.276 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -14.745 -20.177 -2.090 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -16.156 -19.800 -1.615 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.312 -21.919 -4.464 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -16.079 -21.767 -5.024 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -15.499 -21.392 -3.650 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -12.086 -9.687 -7.853 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -11.969 -9.277 -8.718 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -12.604 -9.023 -7.339 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -13.051 -15.760 -2.277 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -13.786 -15.459 -1.711 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -13.471 -15.881 -3.170 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -13.285 -14.829 -7.091 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -13.621 -15.029 -7.996 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -13.280 -13.849 -7.050 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.131 -16.000 -4.713 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -13.918 -15.530 -5.546 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.206 -16.926 -4.978 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -13.050 -19.715 -2.018 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -12.611 -20.591 -2.107 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -12.930 -19.296 -2.901 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -11.934 -22.139 -2.679 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -12.679 -22.785 -2.651 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -11.153 -22.666 -2.402 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -12.586 -21.306 -5.201 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -13.533 -21.554 -5.170 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -12.229 -21.624 -4.342 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -12.280 -26.532 0.509 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -11.503 -25.935 0.494 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -11.938 -27.357 0.905 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -12.509 -26.152 -2.282 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -12.712 -26.326 -1.344 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -13.083 -25.397 -2.516 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -11.186 -13.816 -2.949 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -11.602 -12.970 -2.658 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -11.845 -14.499 -2.703 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -18.767 -21.469 12.194 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -18.412 -21.854 13.025 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -18.660 -20.517 12.312 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.736 -19.996 14.925 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -16.940 -20.931 14.723 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -17.455 -19.725 15.534 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -16.419 -15.635 7.858 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.814 -16.528 7.939 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.487 -15.759 8.185 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.526 -9.687 8.005 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -19.769 -10.513 8.485 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -20.015 -9.744 7.180 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -24.726 -24.772 9.034 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -24.007 -24.157 8.755 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -24.941 -24.484 9.946 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -18.410 -24.031 8.292 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.797 -24.633 7.827 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -18.981 -24.632 8.814 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -22.238 -18.941 8.866 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -22.621 -18.638 8.041 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -21.279 -19.041 8.664 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -24.569 -28.708 7.170 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -25.293 -28.042 7.194 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -24.956 -29.499 7.604 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -26.252 -26.526 7.497 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -26.981 -25.999 7.160 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -25.736 -25.899 8.049 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -22.266 -30.153 6.356 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -22.516 -31.025 6.741 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -23.089 -29.625 6.407 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -17.986 -13.561 8.705 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -17.595 -14.379 8.327 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -17.306 -13.227 9.293 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -15.688 -13.850 5.701 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -15.318 -13.082 6.159 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -16.098 -14.384 6.415 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -13.381 -15.348 5.897 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -14.213 -14.896 5.652 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -13.540 -15.660 6.825 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -23.137 -20.356 11.016 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -22.932 -19.736 10.282 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -22.400 -20.997 10.995 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -20.274 -12.100 9.019 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -20.981 -12.716 9.235 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -19.490 -12.676 8.866 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -16.627 -26.902 4.496 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -16.549 -26.011 4.103 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -16.727 -26.730 5.452 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -15.563 -13.491 0.444 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -15.564 -14.454 0.258 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -15.782 -13.427 1.391 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -22.921 -26.692 8.104 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -23.505 -26.016 8.502 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -23.540 -27.349 7.722 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -16.635 -18.717 0.067 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -17.559 -18.983 0.108 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -16.306 -18.849 0.982 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -22.505 -23.238 8.579 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -22.158 -22.658 9.285 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -21.798 -23.263 7.927 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -20.601 -23.623 14.721 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -21.514 -23.587 14.358 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -20.303 -24.524 14.517 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -17.868 -21.330 8.588 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.338 -21.459 9.383 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -18.182 -22.234 8.362 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -17.887 -22.512 14.579 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -17.188 -23.188 14.732 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.716 -22.967 14.817 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -19.934 -26.037 9.413 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -19.833 -26.861 9.935 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -20.364 -26.330 8.594 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -12.889 -10.275 18.399 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -12.463 -10.821 19.087 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -13.823 -10.200 18.696 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -19.611 -19.183 8.168 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -19.193 -20.063 8.237 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -18.868 -18.561 8.274 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.750 -19.169 16.609 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.465 -19.813 16.397 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -18.933 -18.902 17.536 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -15.879 -18.707 2.838 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -15.027 -18.279 3.083 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -16.512 -18.338 3.464 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -20.684 -21.001 15.911 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -21.568 -20.767 15.610 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -20.562 -21.918 15.599 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -15.135 -14.817 14.518 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -15.871 -14.561 15.116 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.303 -15.756 14.321 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -16.127 -12.667 3.138 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -17.077 -12.619 3.282 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -15.784 -13.102 3.947 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -21.017 -22.068 10.682 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -20.182 -21.757 11.091 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -21.115 -22.987 11.009 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -15.287 -16.188 -0.126 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -15.911 -16.933 -0.200 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -14.472 -16.597 0.216 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -13.389 -13.396 12.942 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -13.989 -14.020 13.405 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -12.668 -13.966 12.601 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -13.723 -17.386 3.972 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -13.577 -16.722 4.677 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -13.218 -18.177 4.279 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.715 -21.496 3.461 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -14.847 -21.561 3.907 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.761 -20.569 3.161 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -14.225 -25.016 1.708 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -13.648 -25.661 1.242 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -13.636 -24.615 2.375 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.173 -14.263 16.380 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.264 -15.247 16.392 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -18.066 -13.946 16.202 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -12.799 -15.863 1.898 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -13.200 -16.407 2.612 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -12.594 -16.512 1.193 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -15.360 -17.530 11.837 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -14.840 -17.715 11.013 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -16.267 -17.477 11.528 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -25.320 -23.765 11.596 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -26.199 -24.037 11.879 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -25.346 -22.779 11.643 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -17.341 -16.908 16.000 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.580 -17.296 15.530 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -17.926 -17.676 16.181 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -12.855 -17.605 -0.238 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -12.947 -18.515 -0.592 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -12.919 -17.036 -1.026 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -22.995 -23.946 13.276 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -22.404 -24.225 12.548 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -23.862 -23.832 12.846 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -21.165 -24.698 11.420 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -20.951 -25.117 10.557 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -20.592 -25.168 12.058 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -25.560 -21.078 11.906 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -24.645 -20.822 11.628 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -26.022 -20.241 11.985 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -14.840 -19.836 24.058 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -14.387 -19.824 23.175 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -15.347 -19.017 24.071 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -15.147 -17.812 14.505 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -15.045 -17.715 13.525 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -15.569 -18.700 14.610 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -21.053 -27.921 13.253 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -20.411 -27.210 13.428 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -20.829 -28.226 12.347 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.224 -28.523 10.693 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -20.586 -28.680 9.791 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -19.743 -29.353 10.903 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.292 -30.029 18.021 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -16.598 -30.705 18.152 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -18.109 -30.550 17.867 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -13.194 -14.743 16.439 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -13.378 -15.626 16.810 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -13.839 -14.654 15.708 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -9.674 -18.173 1.864 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -9.850 -17.413 2.458 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -9.907 -18.948 2.398 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -13.390 -22.269 4.867 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -12.948 -23.039 4.450 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -13.943 -22.665 5.573 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.960 -18.362 8.425 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.043 -18.225 8.785 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.010 -19.319 8.270 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -15.320 -25.257 -0.820 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -15.674 -26.150 -0.694 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -15.021 -24.990 0.073 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -12.431 -19.664 4.770 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -12.821 -20.548 4.938 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -11.619 -19.855 4.261 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -16.512 -25.803 7.181 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -15.973 -25.005 6.999 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -16.048 -26.242 7.924 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -12.190 -24.526 3.645 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -12.282 -25.495 3.813 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -11.236 -24.402 3.501 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -14.514 -10.291 2.473 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -14.100 -10.565 1.634 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -15.132 -11.019 2.680 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -14.693 -11.866 15.210 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -14.420 -11.003 14.829 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -14.887 -12.415 14.440 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -14.297 -11.330 11.434 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -13.913 -12.008 12.037 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -14.748 -11.845 10.759 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -13.670 -8.734 11.736 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -14.252 -8.244 11.116 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -13.933 -9.680 11.613 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.836 -30.872 11.073 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.489 -31.568 11.657 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.036 -30.522 10.620 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -20.979 -28.507 8.100 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -21.413 -29.196 7.555 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -21.646 -27.783 8.139 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -15.519 -23.409 6.218 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -16.146 -22.687 6.365 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -15.769 -23.769 5.339 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -13.466 -11.815 4.723 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -13.281 -12.366 3.927 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -13.716 -10.952 4.357 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -25.528 -30.278 13.599 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -25.605 -30.546 12.653 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -24.883 -29.537 13.584 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -19.650 -19.720 22.080 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -19.580 -18.742 22.065 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.901 -19.952 21.179 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -19.821 -19.428 30.083 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -20.652 -19.771 30.437 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -19.459 -20.170 29.554 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -17.244 -22.034 26.258 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.831 -21.882 25.487 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -16.348 -21.839 25.917 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -15.274 -23.064 23.358 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -16.229 -23.300 23.352 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -15.228 -22.216 22.873 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -17.055 -15.742 21.850 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -16.714 -14.859 21.562 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -16.453 -16.387 21.414 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -13.279 -15.265 24.070 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -14.162 -15.686 23.947 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -12.730 -15.973 24.453 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -15.831 -16.200 24.276 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -16.170 -15.525 24.899 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -16.391 -16.094 23.480 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -15.696 -17.829 20.732 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -14.905 -18.310 21.099 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -16.328 -18.533 20.541 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -14.226 -17.354 32.496 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -14.537 -17.329 31.567 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -13.698 -16.544 32.589 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.458 -16.951 21.638 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -20.107 -16.304 21.939 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -18.588 -16.505 21.785 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -18.805 -17.978 19.130 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -19.141 -17.621 19.976 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -18.078 -17.389 18.897 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -16.327 -20.674 30.593 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -16.816 -20.020 31.131 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.955 -20.913 29.882 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -17.787 -16.213 30.832 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -17.417 -15.963 29.958 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -18.268 -15.431 31.118 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -10.746 -16.543 31.718 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -10.828 -17.447 31.397 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -11.508 -16.070 31.307 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -15.449 -10.169 19.371 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.870 -10.949 18.946 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -15.988 -9.405 19.057 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -13.741 -19.819 30.176 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -14.597 -20.292 30.206 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -13.985 -18.906 29.932 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.662 -26.731 32.856 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -17.100 -26.706 33.738 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -15.738 -26.449 33.041 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -15.150 -22.171 32.641 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -15.614 -21.788 31.869 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -14.438 -21.531 32.831 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -16.765 -27.521 17.250 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -16.366 -27.553 16.373 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.964 -28.467 17.460 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -19.036 -21.411 24.162 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -19.880 -21.286 24.610 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -19.088 -20.807 23.384 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.044 -18.145 28.320 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -17.946 -19.008 27.895 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -18.762 -18.280 28.969 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -23.711 -28.248 13.670 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -22.732 -28.219 13.590 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -23.998 -27.395 13.332 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.267 -21.197 28.648 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -17.972 -21.519 27.766 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -18.538 -22.010 29.121 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.936 -24.303 28.714 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -19.143 -23.865 29.570 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -19.689 -24.883 28.557 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -14.096 -13.548 28.602 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.054 -13.414 28.515 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -13.756 -13.434 27.688 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -16.065 -13.347 21.043 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -16.273 -13.056 20.131 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.538 -12.615 21.413 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -13.287 -19.976 32.884 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -13.616 -19.057 32.965 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -13.154 -20.092 31.919 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -13.606 -13.440 19.310 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -13.919 -13.115 20.172 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -13.822 -14.408 19.322 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -16.733 -15.739 28.312 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -17.239 -16.549 28.068 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -16.595 -15.275 27.460 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.160 -17.464 29.811 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.024 -17.904 29.817 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.321 -16.639 29.316 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -14.234 -16.056 19.244 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.124 -16.601 18.438 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -14.740 -16.632 19.852 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -11.159 -12.391 19.035 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -10.467 -13.060 19.208 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -11.997 -12.848 19.274 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -16.981 -24.228 31.745 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -16.221 -23.787 32.167 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -16.937 -25.151 32.077 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.902 -23.838 23.244 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -18.447 -23.065 23.488 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -18.378 -24.239 22.477 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -19.037 -22.730 30.903 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -19.297 -22.134 31.640 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.318 -23.290 31.291 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -17.771 -26.631 24.214 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -16.986 -26.492 24.781 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -17.973 -25.746 23.870 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -14.470 -22.017 25.701 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.432 -21.118 25.305 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.563 -22.611 24.922 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -13.623 -13.251 25.889 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -13.403 -14.039 25.345 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -13.235 -12.512 25.393 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -16.100 -12.636 18.344 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.170 -12.929 18.356 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -16.493 -13.126 17.588 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -13.923 -17.482 16.932 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -13.693 -18.387 17.178 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -14.325 -17.571 16.037 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.883 -18.718 31.838 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.763 -17.754 31.647 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.641 -18.976 31.264 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.806 -21.764 37.751 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -16.240 -22.559 37.839 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -16.759 -21.547 36.794 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -19.381 -20.874 32.920 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -19.473 -20.992 33.872 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.827 -20.082 32.829 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -14.207 -25.631 33.246 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -13.554 -25.991 33.884 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -13.751 -24.887 32.840 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -19.025 -26.429 37.794 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -19.540 -26.254 38.609 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -18.112 -26.175 38.031 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -16.607 -12.136 27.887 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -17.422 -11.937 28.363 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.135 -11.295 27.861 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -12.790 -12.466 30.777 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -12.924 -11.489 30.788 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.204 -12.753 29.933 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -12.928 -15.199 30.799 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -12.845 -14.248 31.010 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -13.411 -15.209 29.959 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -16.080 -18.935 33.918 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -15.441 -18.236 33.677 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -16.779 -18.858 33.241 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.018 -25.997 34.833 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -11.557 -25.767 35.663 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -11.662 -25.367 34.176 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -16.221 -14.147 26.102 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.309 -13.849 25.908 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -16.606 -13.407 26.616 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.335 -26.089 25.346 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.821 -26.805 25.800 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.223 -25.324 25.919 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.848 -30.644 23.572 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.750 -30.654 22.596 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -15.659 -30.110 23.722 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -19.033 -25.217 21.176 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -19.945 -25.420 20.946 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -18.515 -25.962 20.783 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -12.468 -12.738 23.271 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -12.671 -13.691 23.385 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -13.156 -12.419 22.654 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -18.639 -29.145 37.746 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -18.799 -28.203 37.523 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -19.397 -29.386 38.303 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -17.012 -25.902 40.878 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.403 -26.065 41.637 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -17.399 -25.022 41.067 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -11.722 -27.931 37.675 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -12.566 -27.943 37.205 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -11.402 -27.015 37.570 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -20.159 -29.025 40.697 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -19.718 -29.503 41.406 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -20.510 -29.731 40.115 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -19.081 -21.603 39.266 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -18.288 -21.664 38.689 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -19.454 -20.741 39.067 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -16.176 -21.353 35.140 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -16.183 -20.436 34.774 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.054 -21.921 34.353 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.290 -22.274 41.507 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -16.493 -21.821 42.334 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -17.116 -22.770 41.297 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.873 -20.869 39.536 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.582 -20.914 38.870 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -15.276 -21.256 40.336 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.887 -23.763 37.875 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.366 -24.623 37.833 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.566 -23.717 38.804 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -18.593 -23.666 40.954 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -18.898 -22.948 40.347 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -19.312 -24.326 40.920 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.872 -28.775 38.114 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -16.810 -28.961 37.914 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.564 -29.580 38.575 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -16.285 -26.109 38.258 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -16.426 -26.025 39.231 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -15.960 -27.035 38.145 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -19.714 -26.321 40.466 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.075 -27.225 40.603 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -18.766 -26.408 40.683 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.182 -28.513 41.830 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -13.329 -28.490 41.343 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -14.638 -29.281 41.468 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -20.604 -31.044 38.907 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -21.285 -31.519 38.418 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -19.779 -31.535 38.712 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -15.560 -6.651 -7.638 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -16.426 -6.882 -7.986 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -15.245 -5.931 -8.236 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -8.425 -13.196 -3.036 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -8.227 -12.562 -3.763 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -9.364 -13.428 -3.168 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.365 4.409 -8.229 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.919 5.264 -8.416 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.827 4.561 -7.374 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -11.551 -1.426 -5.334 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -11.029 -1.132 -6.114 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.469 -1.500 -5.677 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -15.640 0.172 -10.208 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -15.741 0.211 -11.161 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -16.046 1.010 -9.890 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.942 -2.709 -4.057 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.037 -3.666 -4.228 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -14.680 -2.334 -4.928 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.262 8.662 -0.096 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.612 9.361 0.469 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.243 9.069 -1.000 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.989 1.295 -6.527 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.619 1.834 -6.013 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.632 1.911 -7.194 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -18.033 5.926 -3.764 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -18.973 6.007 -3.580 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.598 6.311 -2.967 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.481 4.830 -5.712 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -16.279 3.935 -5.363 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -17.108 5.209 -5.048 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -18.079 -3.096 -9.310 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -18.931 -2.652 -9.253 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -18.267 -3.914 -9.781 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -16.516 8.767 -8.025 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -17.378 9.049 -8.345 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -15.913 8.936 -8.776 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -16.910 6.804 -1.455 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -16.358 6.010 -1.298 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -16.474 7.501 -0.938 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -16.816 2.585 -9.698 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -16.240 3.185 -9.177 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -17.629 3.084 -9.817 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -14.159 -1.427 -6.369 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -14.124 -0.447 -6.467 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -14.605 -1.733 -7.190 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -15.222 -5.471 -4.346 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.617 -5.701 -5.197 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.934 -5.665 -3.687 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -12.401 -11.493 -2.176 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -12.842 -11.603 -1.295 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -11.965 -10.636 -2.115 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -11.595 5.545 -8.496 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.454 6.023 -8.469 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -11.154 5.898 -9.295 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.769 6.875 -4.886 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.612 7.042 -5.365 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.604 7.707 -4.400 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -11.658 0.754 -9.251 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -12.257 0.376 -9.902 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -12.108 1.574 -8.958 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.068 4.995 -2.925 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -12.341 5.328 -2.356 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -13.067 5.610 -3.692 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -15.535 -2.088 -8.691 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -15.488 -1.248 -9.207 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -16.467 -2.377 -8.792 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.536 -7.947 -6.371 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.008 -8.376 -5.642 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -14.236 -7.430 -6.839 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.181 7.236 -6.147 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -15.706 6.444 -5.899 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.831 7.828 -6.588 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.159 4.734 -1.172 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.443 4.897 -1.826 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -15.417 3.811 -1.332 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -15.340 -7.854 9.644 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -15.372 -7.026 9.127 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -16.270 -8.140 9.684 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -8.926 -9.121 13.521 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -9.753 -8.756 13.149 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -9.062 -9.071 14.498 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -13.088 -9.138 8.605 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -12.845 -9.543 9.444 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -13.930 -8.682 8.796 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -12.895 -2.053 2.269 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -13.133 -2.999 2.257 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -13.423 -1.663 1.539 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.757 -13.188 2.472 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -12.964 -14.123 2.250 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -11.781 -13.123 2.336 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -13.725 2.178 0.192 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -13.106 2.931 0.192 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -13.829 1.954 1.146 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -17.114 -3.512 -0.938 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -16.954 -3.151 -0.045 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.973 -2.762 -1.526 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -13.385 -4.841 2.765 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -12.648 -4.771 3.415 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -13.590 -5.803 2.738 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -17.170 -5.788 -2.473 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -17.118 -4.965 -1.935 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.896 -6.279 -2.080 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.917 1.992 -2.169 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -14.544 2.086 -1.258 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -14.926 1.013 -2.318 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -14.609 -0.644 -2.375 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -14.528 -1.068 -1.499 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -14.718 -1.400 -3.002 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.565 8.151 -0.790 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.566 8.648 -1.630 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.461 8.282 -0.433 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -14.669 -1.092 0.385 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -15.484 -1.447 0.802 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -14.695 -0.143 0.580 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -11.134 -7.851 12.429 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -11.957 -8.259 12.081 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -11.399 -6.957 12.671 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -15.849 2.323 -4.741 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -16.353 1.505 -4.850 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -15.563 2.305 -3.801 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -13.935 1.692 2.885 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -14.032 1.366 3.799 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -13.699 2.641 2.993 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -12.843 -1.311 4.934 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -12.890 -1.427 3.963 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -13.398 -0.525 5.110 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -16.827 -2.351 1.606 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -16.420 -2.828 2.365 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -17.727 -2.165 1.901 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -12.668 -5.118 -3.466 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -13.632 -5.199 -3.658 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -12.235 -5.563 -4.232 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -15.547 -3.525 3.787 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.074 -2.947 4.400 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.836 -4.042 3.348 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -13.763 -7.614 2.937 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -14.061 -7.508 3.853 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -14.080 -8.511 2.686 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -13.422 -9.629 14.365 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -12.996 -8.919 14.854 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -13.521 -9.271 13.460 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -16.480 -5.750 8.140 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -16.791 -4.898 8.466 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -17.196 -6.379 8.388 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.021 -5.763 5.733 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -15.527 -5.833 6.569 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -15.517 -5.117 5.208 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -18.249 -7.588 9.175 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.974 -7.358 9.769 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -18.593 -8.365 8.668 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -13.530 -11.767 0.255 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -14.357 -12.294 0.131 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -13.099 -12.190 1.030 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -14.478 6.116 1.184 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -14.747 7.000 0.889 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -14.742 5.528 0.447 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -16.928 -8.172 18.213 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -16.931 -8.122 17.252 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.560 -7.500 18.490 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -14.071 -11.440 21.383 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -14.637 -10.865 20.821 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -13.211 -10.958 21.426 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -11.136 -8.246 18.100 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -11.821 -8.945 18.191 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -11.497 -7.496 18.581 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -11.605 -10.295 21.280 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -11.053 -10.629 22.017 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -10.966 -9.971 20.636 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -15.065 9.719 -2.573 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -14.150 9.652 -2.918 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -15.619 9.652 -3.358 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -14.023 6.755 -8.560 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -14.309 7.477 -9.154 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -14.312 7.051 -7.668 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 3.406 -31.003 -1.697 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 4.057 -31.708 -1.693 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 3.829 -30.281 -1.174 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -12.152 -27.247 3.815 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -11.655 -27.737 3.132 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -13.020 -27.713 3.861 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -4.646 -28.029 2.064 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -3.861 -28.378 2.556 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -5.328 -28.715 2.202 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -1.903 -37.007 8.439 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -1.544 -37.885 8.614 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -2.753 -37.183 7.979 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 0.048 -35.283 7.434 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -0.481 -34.506 7.193 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -0.613 -35.940 7.726 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 3.872 -33.321 7.933 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 3.036 -32.864 8.139 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 4.345 -33.353 8.791 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -11.361 -37.473 5.269 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -12.227 -37.779 5.628 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -10.705 -38.097 5.669 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -2.070 -33.230 7.430 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -2.664 -33.861 6.967 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -2.161 -33.468 8.374 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -9.529 -42.640 7.048 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -9.110 -43.084 7.799 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -10.393 -42.334 7.406 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -9.432 -39.042 6.341 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.011 -39.742 5.804 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -9.245 -39.308 7.264 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -8.393 -40.267 8.671 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -8.895 -40.413 9.496 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -7.936 -41.116 8.521 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -9.678 -40.571 14.612 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -10.168 -41.352 14.333 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -9.708 -39.978 13.834 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -7.553 -34.827 2.740 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -7.964 -35.367 3.446 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -7.804 -35.273 1.925 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -4.339 -35.355 11.654 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -3.873 -35.740 12.433 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -3.641 -34.848 11.188 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -5.545 -41.320 10.412 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -6.252 -40.771 10.812 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -4.747 -41.053 10.881 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 4.434 -29.656 7.015 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 3.556 -29.747 7.456 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 4.218 -29.259 6.148 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -3.195 -30.961 5.785 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -2.651 -31.465 6.419 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -3.549 -30.211 6.313 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 0.357 -34.017 10.833 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 1.227 -34.400 11.071 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 0.576 -33.344 10.149 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -4.442 -37.616 7.462 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -4.977 -38.358 7.101 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -4.742 -37.542 8.398 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -5.248 -37.355 10.041 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -6.218 -37.315 10.186 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -4.900 -36.574 10.529 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -4.837 -32.834 15.011 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -5.109 -33.767 14.948 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -4.997 -32.603 15.956 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -10.284 -38.924 12.437 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -10.792 -39.736 12.259 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -10.707 -38.251 11.850 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -0.013 -29.049 4.040 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 0.669 -29.128 3.346 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 0.411 -29.442 4.840 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -6.272 -39.657 6.895 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -6.741 -40.134 6.184 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -6.922 -39.619 7.622 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 5.369 -33.057 16.379 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 4.899 -33.913 16.263 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 4.646 -32.398 16.428 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 2.864 -26.995 0.736 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 2.370 -27.698 1.210 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 3.586 -26.753 1.358 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 6.722 -30.360 5.582 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 6.053 -29.966 6.177 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 6.467 -31.313 5.542 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -4.790 -39.084 12.214 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -5.744 -39.333 12.217 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -4.704 -38.501 11.434 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -8.033 -41.208 5.318 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -8.572 -41.771 5.930 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -8.005 -41.713 4.498 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -8.488 -37.692 14.110 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -9.090 -38.001 13.395 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -7.911 -37.041 13.671 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -8.726 -43.931 9.789 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -7.904 -43.578 9.383 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -8.566 -44.877 9.865 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -11.739 -42.076 8.543 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -12.229 -41.305 8.901 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -12.011 -42.808 9.102 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -8.104 -35.477 17.105 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -7.954 -34.602 17.530 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -8.505 -35.254 16.234 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 3.019 -34.802 11.181 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 3.713 -34.145 10.962 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 2.869 -35.282 10.333 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -2.470 -34.086 16.447 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -1.903 -33.634 17.106 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -3.251 -34.369 16.965 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -11.158 -35.787 13.347 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -11.699 -34.976 13.438 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -11.014 -35.879 12.375 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -4.599 -37.856 16.729 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -5.526 -38.102 16.860 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -4.240 -38.580 16.167 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 7.457 -32.917 14.653 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 7.545 -31.934 14.664 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 6.761 -33.098 15.326 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 5.483 -32.794 5.760 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 5.060 -33.383 5.133 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 4.964 -32.913 6.586 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 2.513 -35.647 8.639 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 3.056 -35.013 8.139 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 1.636 -35.610 8.199 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -7.874 -37.028 10.967 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -7.592 -36.398 11.659 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -8.812 -36.769 10.773 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -10.260 -33.736 3.799 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -9.573 -33.155 3.411 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -9.755 -34.472 4.193 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -3.919 -35.057 6.469 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -4.802 -34.687 6.551 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -4.037 -36.007 6.683 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -2.200 -34.609 9.888 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -2.089 -35.489 9.473 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -1.322 -34.417 10.281 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 4.533 -29.074 -0.191 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 3.993 -28.290 0.013 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 5.458 -28.747 -0.145 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -7.376 -39.681 11.666 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -7.727 -38.809 11.378 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -8.153 -40.281 11.611 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -2.735 -29.109 3.646 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -2.933 -29.750 4.354 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -1.754 -29.045 3.653 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -8.214 -32.161 2.665 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -7.728 -33.017 2.659 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -7.511 -31.490 2.775 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -8.978 -36.150 4.687 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -9.851 -36.592 4.740 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -8.439 -36.618 5.338 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -4.909 -32.309 4.174 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -4.243 -31.876 4.757 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -4.587 -33.212 4.076 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -6.231 -30.175 3.166 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -5.668 -30.959 3.378 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -6.339 -29.731 4.012 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -11.196 -33.379 -0.108 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -11.421 -33.298 -1.039 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -11.365 -34.331 0.096 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -0.505 -28.286 -1.441 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -0.119 -28.568 -0.607 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 0.024 -28.762 -2.120 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -9.019 -34.763 14.654 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -9.794 -35.232 14.263 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -8.328 -34.837 13.971 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -5.773 -35.502 15.630 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -5.121 -36.085 16.062 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -6.521 -35.475 16.262 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -1.347 -34.387 13.000 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -0.760 -34.210 12.240 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -1.107 -35.289 13.282 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -10.196 -36.862 18.151 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -10.436 -37.425 17.379 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -9.363 -36.416 17.870 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -7.057 -39.599 15.453 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -7.744 -40.286 15.410 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -7.477 -38.821 15.028 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -3.522 -36.973 13.729 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -3.508 -37.103 14.685 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -3.833 -37.824 13.376 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -4.396 -39.778 14.834 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -4.405 -39.730 13.859 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -5.340 -39.904 15.076 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 0.000 -36.752 13.643 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 0.932 -36.419 13.674 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 0.046 -37.528 13.077 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -2.785 -25.730 1.713 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -3.385 -26.434 2.024 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -2.604 -25.971 0.777 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -13.618 -31.846 1.630 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -13.531 -32.791 1.876 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -12.726 -31.595 1.349 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 3.713 -29.256 10.449 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 2.974 -29.292 9.796 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 4.404 -29.814 10.052 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 3.890 -35.332 16.166 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 3.548 -35.199 17.084 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 3.919 -36.288 16.066 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 5.076 -33.098 10.392 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 5.836 -33.232 10.995 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 5.254 -32.224 9.977 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 1.147 -32.193 8.868 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 1.456 -31.256 8.810 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 0.546 -32.287 8.117 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 2.510 -35.780 13.691 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 3.093 -35.377 14.359 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 2.815 -35.397 12.839 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -6.798 -42.584 8.421 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -6.240 -42.184 9.137 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -6.299 -42.415 7.611 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -13.117 -40.156 9.977 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -14.002 -40.067 10.395 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -12.686 -39.275 10.138 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -10.481 -32.641 15.757 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -9.834 -33.319 15.488 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -11.222 -32.766 15.137 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -6.753 -35.674 13.096 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -6.003 -35.430 12.511 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -6.364 -35.646 14.003 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -10.517 -31.243 1.410 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -10.729 -32.006 0.822 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -9.706 -31.528 1.883 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -0.368 -26.290 4.600 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.594 -26.103 4.592 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -0.421 -27.256 4.462 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 2.250 -29.170 2.302 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 2.783 -29.840 1.853 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 2.747 -28.983 3.132 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -10.724 -28.538 1.785 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -10.832 -29.512 1.670 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -9.776 -28.396 1.685 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -2.989 -37.197 22.312 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -3.172 -37.255 21.356 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -3.728 -37.665 22.729 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -4.612 -38.084 24.765 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -4.304 -38.634 25.502 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -4.386 -37.172 25.038 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.121 -35.262 28.164 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -0.831 -35.941 28.236 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -0.407 -34.696 27.417 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -6.536 -32.086 27.324 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -6.031 -32.353 26.521 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -6.137 -31.225 27.580 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -3.914 -35.586 25.612 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -4.267 -34.711 25.354 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -3.041 -35.630 25.172 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -5.666 -37.569 29.688 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -6.177 -37.509 28.860 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -5.153 -36.754 29.709 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -4.550 -35.215 28.266 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -5.512 -35.035 28.277 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -4.368 -35.479 27.334 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -5.495 -32.581 34.880 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -4.978 -33.123 35.485 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -6.288 -33.137 34.675 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -11.903 -34.773 18.827 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -11.361 -35.531 18.526 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -11.240 -34.129 19.179 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 3.472 -29.406 25.504 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 2.592 -29.532 25.094 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 3.618 -28.440 25.470 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -1.667 -35.488 23.946 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -2.058 -36.129 23.297 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -2.038 -34.611 23.669 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -9.960 -33.031 19.574 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -9.146 -32.983 19.033 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -10.021 -32.151 19.990 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -1.125 -32.604 18.242 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -0.979 -32.931 19.157 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -1.892 -31.985 18.324 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 0.920 -36.327 23.355 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 0.704 -37.260 23.278 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 0.083 -35.910 23.635 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -6.478 -37.270 27.048 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -6.883 -36.380 27.129 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -6.619 -37.513 26.121 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -4.658 -32.921 25.593 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -4.100 -32.860 24.778 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -4.033 -32.754 26.323 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -4.174 -38.798 27.510 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -4.276 -39.166 28.399 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -5.018 -38.327 27.351 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 0.777 -30.133 24.830 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 0.681 -29.958 25.782 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -0.017 -30.668 24.605 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -5.612 -29.667 28.167 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -5.201 -29.093 27.507 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -6.314 -29.100 28.573 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -0.310 -34.163 20.426 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 0.565 -34.215 20.863 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -0.370 -35.005 19.911 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -9.449 -30.122 32.501 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -10.323 -29.934 32.082 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -8.794 -29.873 31.803 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -11.970 -39.949 21.635 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -11.554 -39.110 21.349 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -12.749 -40.026 21.082 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 2.876 -31.766 16.396 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 2.344 -32.589 16.476 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 2.574 -31.217 17.147 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -8.594 -31.216 28.951 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -7.836 -31.443 28.372 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -8.232 -30.526 29.563 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 9.373 -31.025 35.435 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 8.582 -31.560 35.580 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 9.553 -30.628 36.296 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -4.014 -31.143 29.950 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -4.635 -30.593 29.426 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -3.686 -31.805 29.312 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -7.709 -34.086 34.429 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -8.224 -34.891 34.328 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -8.385 -33.366 34.440 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -0.641 -36.366 18.892 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -1.524 -36.768 19.015 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -0.518 -36.344 17.921 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -3.052 -34.183 20.957 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -2.082 -34.191 20.831 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -3.173 -33.809 21.854 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 1.500 -28.692 34.540 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 1.053 -29.468 34.184 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 2.454 -28.861 34.360 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -7.285 -34.693 27.750 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.212 -34.614 28.061 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -7.015 -33.764 27.576 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -3.054 -32.887 27.911 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -3.527 -33.689 28.222 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -2.272 -33.243 27.427 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 2.941 -34.984 18.709 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 2.731 -34.987 19.663 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 2.214 -34.472 18.306 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -2.303 -36.857 28.266 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.723 -37.663 27.910 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -3.053 -36.293 28.523 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -10.766 -40.935 23.931 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -10.618 -41.848 23.689 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -11.239 -40.557 23.163 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -1.836 -30.499 27.053 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -1.830 -30.745 26.096 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -2.356 -31.204 27.474 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -1.176 -33.788 26.115 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -1.164 -34.508 25.453 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -1.239 -32.966 25.570 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 1.081 -33.694 17.112 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 0.350 -33.257 17.606 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 0.680 -34.529 16.781 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 1.653 -31.853 28.764 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 1.659 -32.788 29.057 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 2.313 -31.828 28.037 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 2.237 -34.817 21.493 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 1.807 -35.359 22.193 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 3.184 -34.808 21.749 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -10.873 -37.554 20.707 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -10.097 -37.271 21.207 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -10.634 -37.368 19.768 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 6.670 -28.340 30.114 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 6.684 -27.685 30.846 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 6.131 -29.087 30.470 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -10.315 -30.027 36.361 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -10.826 -29.316 36.799 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -9.606 -29.551 35.880 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -6.150 -30.186 36.211 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -6.953 -29.890 35.733 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -5.883 -31.005 35.747 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -7.809 -32.846 17.736 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -6.856 -32.576 17.763 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -8.202 -32.264 17.070 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -4.193 -34.519 18.534 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -4.632 -33.675 18.265 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -3.868 -34.337 19.449 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -3.332 -37.095 19.185 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -3.709 -37.541 18.404 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -3.646 -36.171 19.102 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -0.395 -35.828 16.196 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -1.221 -35.306 16.090 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -0.253 -36.233 15.314 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.478 -27.597 26.419 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -8.074 -27.705 27.303 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -7.750 -27.245 25.862 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 3.036 -32.662 31.304 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 2.364 -31.981 31.479 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 2.525 -33.416 30.943 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 4.961 -34.927 22.039 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 5.627 -34.296 22.339 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 5.367 -35.349 21.261 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 2.003 -34.510 29.562 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 1.166 -34.805 29.118 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 2.615 -35.238 29.412 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 4.860 -32.451 29.209 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 4.409 -32.271 28.359 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 4.137 -32.711 29.816 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -9.580 -32.116 34.351 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -9.526 -31.457 33.625 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -9.956 -31.616 35.095 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -4.437 -30.908 32.865 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -4.473 -31.380 32.013 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.808 -31.547 33.513 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -1.810 -30.304 31.532 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -2.453 -30.532 30.833 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -2.336 -30.320 32.347 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.665 -29.539 27.706 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 0.995 -30.376 28.093 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -0.301 -29.689 27.604 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 2.591 -27.614 28.414 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 2.746 -27.971 29.310 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 1.896 -28.199 28.042 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 0.986 -30.597 31.170 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 1.039 -30.983 30.272 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 0.020 -30.476 31.323 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -8.879 -26.509 39.615 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -7.996 -26.285 39.981 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -8.820 -26.243 38.678 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -6.278 -26.188 40.406 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -6.181 -25.519 39.687 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -5.375 -26.582 40.485 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -8.181 -25.548 36.968 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -7.485 -25.088 37.489 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -7.803 -25.604 36.068 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -7.804 -28.965 40.409 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -8.461 -28.311 40.108 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -7.074 -28.427 40.741 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -6.078 -24.392 38.378 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -6.445 -23.515 38.610 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -5.162 -24.192 38.083 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -11.827 -28.610 40.423 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -11.758 -28.476 39.454 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -11.354 -29.458 40.583 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -10.551 -31.010 40.808 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -9.799 -31.083 41.407 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.210 -31.359 39.950 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -9.860 -31.819 38.337 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -10.062 -31.261 37.555 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -8.880 -31.765 38.418 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.243 -29.075 34.713 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -8.675 -29.461 33.917 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -7.666 -28.383 34.356 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -7.923 -18.491 -5.248 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -8.215 -19.179 -4.606 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -8.001 -18.936 -6.119 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -8.957 -16.898 -7.246 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.904 -17.651 -7.859 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -8.562 -17.240 -6.418 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -4.064 -15.882 -7.743 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -4.347 -16.744 -8.087 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -3.110 -15.980 -7.614 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -3.040 -18.519 -6.222 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -3.376 -18.874 -7.075 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -3.857 -18.282 -5.725 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -6.665 -25.791 -6.813 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -7.359 -26.318 -7.272 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -5.846 -26.052 -7.249 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -9.979 -26.455 -3.084 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -10.963 -26.436 -2.969 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -9.678 -27.122 -2.435 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -5.906 -15.018 -5.694 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -5.368 -15.117 -6.501 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -6.768 -14.679 -6.018 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.475 -27.656 -7.645 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -8.962 -28.375 -8.059 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -8.574 -27.817 -6.686 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 2.650 -11.466 -8.782 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 3.388 -11.427 -8.134 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 2.381 -10.531 -8.891 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 7.032 -9.078 -10.493 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 7.980 -9.105 -10.668 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 6.774 -10.033 -10.413 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 4.264 -16.806 -6.390 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 4.763 -16.618 -7.191 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 3.979 -15.929 -6.074 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -1.585 -17.542 -4.031 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -0.717 -17.908 -4.309 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -2.200 -17.836 -4.730 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -4.424 -13.174 -8.126 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -4.296 -14.146 -8.174 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -3.743 -12.814 -8.717 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -5.340 -17.611 -4.996 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -6.264 -17.939 -5.077 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -5.425 -16.636 -5.092 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 1.379 -13.307 -7.089 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 1.741 -12.796 -7.843 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 0.620 -13.801 -7.474 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -2.918 -10.727 -8.658 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -3.031 -10.568 -9.623 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -3.747 -10.371 -8.261 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -12.976 -12.098 -6.747 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -13.452 -11.685 -5.992 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -12.715 -11.339 -7.307 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -0.441 -11.561 -14.185 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -0.703 -11.250 -13.298 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -1.240 -11.430 -14.725 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -6.821 -12.105 -7.323 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -7.487 -12.824 -7.247 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -6.043 -12.544 -7.736 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.137 -11.427 -13.341 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 1.205 -11.470 -13.671 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 2.640 -11.918 -14.002 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 2.582 -19.252 -0.829 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 2.136 -20.045 -1.183 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 2.899 -19.536 0.064 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 1.378 -21.564 -1.758 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 0.407 -21.528 -1.754 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 1.607 -21.734 -2.702 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -5.869 -20.964 -7.276 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -6.181 -21.874 -7.100 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -5.360 -20.736 -6.475 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -7.769 -23.129 -3.340 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -7.115 -23.286 -2.629 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -8.627 -23.381 -2.932 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -0.747 -21.050 -5.352 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -1.441 -20.537 -5.789 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -1.235 -21.613 -4.713 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 3.514 -13.127 -2.944 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.272 -12.604 -2.626 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 3.763 -13.388 -3.855 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -4.190 -19.226 -8.608 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -4.862 -19.851 -8.258 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -4.124 -19.449 -9.543 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -0.738 -17.374 -7.217 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -1.550 -17.806 -6.879 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -0.030 -17.705 -6.625 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -2.080 -15.317 -2.550 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -2.003 -15.611 -1.631 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -1.945 -16.136 -3.077 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -8.372 -19.808 -7.584 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -7.520 -20.283 -7.680 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -9.015 -20.511 -7.354 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 4.809 -18.859 -4.721 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 4.614 -18.144 -5.372 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 5.748 -19.101 -4.905 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -3.297 -9.947 -11.257 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -3.352 -9.020 -11.568 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -2.386 -10.227 -11.502 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -3.783 -13.296 -13.731 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -3.518 -14.128 -14.130 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -3.326 -12.617 -14.263 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.831 -14.720 -7.956 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.745 -15.575 -7.490 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -0.786 -14.964 -8.902 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 0.403 -11.808 -5.010 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 1.097 -11.121 -5.107 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 0.656 -12.493 -5.664 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -7.465 -29.577 -3.367 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -7.705 -28.892 -4.029 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -6.693 -30.007 -3.743 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -10.093 -10.556 -6.159 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -10.324 -11.498 -6.024 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -10.764 -10.237 -6.800 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -2.241 -22.392 -3.480 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -2.152 -21.725 -2.764 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -1.848 -23.202 -3.096 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -4.403 -21.463 -4.928 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -3.643 -21.871 -4.459 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -4.985 -22.221 -5.146 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 3.438 -24.056 -4.822 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.693 -24.335 -3.916 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 4.192 -24.303 -5.365 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 4.543 -10.875 -6.870 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 5.092 -10.216 -7.349 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 5.181 -11.344 -6.298 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -0.542 -16.568 -9.995 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -0.475 -17.090 -9.176 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -0.245 -17.168 -10.684 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -6.392 -23.251 -5.749 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -6.515 -24.160 -6.098 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -6.958 -23.224 -4.946 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -8.164 -27.429 -4.913 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -7.601 -26.689 -5.202 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -8.850 -27.003 -4.348 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -5.286 -19.622 -3.098 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -4.971 -20.319 -3.709 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -5.181 -18.798 -3.608 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -6.979 -20.756 -1.253 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -6.687 -21.674 -1.141 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -6.311 -20.360 -1.861 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -0.870 -24.115 -1.700 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -1.031 -23.727 -0.821 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 0.039 -24.464 -1.639 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 1.491 -24.777 -0.136 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 2.230 -24.132 -0.190 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 1.926 -25.617 0.134 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -6.427 -23.796 -0.981 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -5.612 -24.301 -0.834 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -7.133 -24.402 -0.696 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -2.367 -26.380 -0.910 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -1.830 -27.178 -1.148 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -1.938 -25.654 -1.402 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 6.743 -8.862 -5.193 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 7.564 -8.356 -5.160 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 6.446 -8.778 -6.128 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 6.397 -11.586 -4.902 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 6.518 -10.610 -4.900 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 7.064 -11.909 -4.286 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 2.486 -13.531 2.969 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 3.069 -13.371 3.738 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 1.739 -12.930 3.108 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 5.997 -13.903 -6.450 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 5.089 -14.064 -6.138 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 6.280 -13.115 -5.962 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -8.917 -20.763 -4.164 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -8.436 -21.536 -3.804 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -9.383 -21.117 -4.948 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 0.678 -18.611 -5.094 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 0.519 -19.574 -5.146 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 1.468 -18.529 -4.517 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 4.276 -21.182 -3.377 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 4.429 -20.363 -3.898 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 3.447 -21.545 -3.746 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 1.770 -21.949 -4.402 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 0.973 -21.851 -4.957 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 2.193 -22.780 -4.729 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.980 -23.938 -1.949 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -10.124 -24.186 -1.011 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -10.029 -24.791 -2.432 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 8.412 -23.970 -3.191 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 7.914 -23.127 -3.136 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 9.263 -23.719 -3.599 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -10.175 -21.684 -6.478 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -11.082 -21.477 -6.156 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -10.261 -22.557 -6.879 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 6.859 -25.907 -1.997 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 7.523 -25.317 -2.419 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 6.006 -25.487 -2.199 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 6.276 -11.631 -10.197 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 5.442 -11.842 -10.679 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 6.491 -12.448 -9.731 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.504 -10.114 -5.207 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 2.993 -9.930 -4.383 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 3.203 -10.378 -5.845 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -7.824 -11.277 -4.896 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -8.672 -10.897 -5.206 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -7.347 -11.494 -5.724 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -8.412 -14.263 -6.653 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -9.250 -13.876 -6.312 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -8.682 -15.137 -7.013 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -6.060 -8.804 -5.085 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -6.283 -7.848 -5.035 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -6.730 -9.235 -4.534 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -10.003 -24.971 0.644 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -9.909 -24.787 1.595 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -9.167 -25.434 0.404 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -7.756 -26.240 -0.096 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -6.777 -26.346 -0.137 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -8.102 -27.027 -0.577 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 1.272 -29.797 -2.889 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 1.466 -29.976 -3.812 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 1.986 -30.264 -2.398 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 3.415 -14.267 -5.500 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 2.820 -13.844 -6.157 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 2.797 -14.754 -4.901 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 3.308 -28.593 4.736 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 2.619 -29.072 5.270 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 2.995 -27.651 4.728 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 1.620 -15.600 -4.010 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 0.665 -15.733 -3.960 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 1.998 -16.480 -3.786 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -2.546 -12.161 4.992 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -2.979 -11.386 5.429 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -3.152 -12.893 5.159 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 0.255 -13.537 -0.636 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 0.459 -12.762 -1.196 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 1.064 -14.085 -0.690 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 4.497 -15.207 6.114 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 3.794 -15.880 6.184 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 4.346 -14.620 6.894 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -0.739 -23.824 1.122 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -1.248 -24.606 1.402 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 0.118 -24.196 0.807 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -5.052 -26.394 -0.139 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -4.948 -27.038 0.596 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -4.182 -26.411 -0.592 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 3.932 -13.459 0.691 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 3.393 -13.490 1.518 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 3.474 -14.079 0.086 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -9.845 -11.190 6.097 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -10.429 -10.403 6.063 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -10.467 -11.948 6.102 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -8.075 -12.742 4.605 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -7.383 -12.231 4.128 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -8.625 -12.055 5.034 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.571 -16.115 0.031 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 0.362 -16.326 0.161 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -0.581 -15.141 -0.079 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -11.654 -13.204 6.177 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -12.273 -12.596 5.708 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -12.100 -14.074 6.126 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 4.197 -24.850 -2.249 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 4.067 -24.066 -1.670 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 3.830 -25.583 -1.737 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -6.205 -11.760 10.627 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -6.833 -12.490 10.704 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -6.343 -11.236 11.445 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 1.276 -11.647 -2.389 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 2.025 -12.257 -2.583 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 0.738 -11.665 -3.210 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 4.970 -11.525 -1.042 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 4.533 -12.147 -0.414 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 5.792 -11.285 -0.599 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 4.216 -25.397 28.427 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 3.658 -26.175 28.618 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 5.112 -25.769 28.300 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -5.466 -12.185 29.042 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -5.732 -12.934 29.627 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -6.078 -11.462 29.294 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -6.371 -13.959 30.909 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -7.300 -14.173 31.137 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -5.871 -14.180 31.720 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -8.422 -12.245 33.566 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -9.388 -12.153 33.640 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -8.303 -13.071 33.063 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 3.173 -14.499 31.660 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 2.732 -13.705 32.035 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 3.860 -14.133 31.078 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -2.665 -13.348 31.885 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -2.623 -13.410 30.922 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -2.505 -12.393 32.071 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -6.687 -11.254 23.379 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -6.694 -10.874 24.283 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -7.252 -12.053 23.454 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 3.581 -21.896 34.508 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 4.421 -22.347 34.712 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 2.951 -22.623 34.378 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 4.471 -18.662 31.352 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 5.028 -17.863 31.337 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 4.467 -18.932 32.292 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -3.607 -10.123 29.213 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.724 -9.741 30.094 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.176 -10.916 29.221 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -5.213 -15.103 21.197 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -5.526 -16.025 21.201 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -5.299 -14.820 22.120 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 2.460 -12.172 32.822 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 1.558 -11.848 32.650 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 3.035 -11.433 32.530 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -8.930 -14.423 31.892 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -9.669 -13.797 31.967 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -9.363 -15.301 31.874 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 2.116 -26.033 31.746 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 2.387 -26.915 31.415 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 2.623 -25.920 32.570 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 2.714 -12.105 28.645 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 3.223 -11.482 28.069 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 2.419 -12.811 28.029 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -12.561 -10.515 33.568 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -12.676 -10.476 34.521 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -11.985 -11.293 33.426 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -5.762 -11.857 33.977 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.525 -12.793 33.786 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -6.748 -11.858 33.980 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -1.419 -12.572 35.756 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -2.205 -12.042 35.489 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -1.403 -13.318 35.114 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -11.328 -17.558 36.000 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -12.205 -17.467 36.379 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -10.860 -18.158 36.623 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -4.346 -18.854 33.216 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -4.958 -18.345 32.672 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -4.067 -19.595 32.632 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -0.013 -24.339 32.166 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 0.610 -25.060 31.924 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -0.354 -24.605 33.049 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 3.037 -24.565 33.925 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 3.936 -24.511 34.296 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 2.535 -25.102 34.581 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -5.987 -28.672 32.745 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -5.389 -29.448 32.824 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -6.596 -28.914 32.012 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -5.042 -27.757 35.354 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -5.277 -28.566 35.852 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -5.302 -27.959 34.439 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -10.066 -11.395 23.359 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -10.919 -11.880 23.432 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -9.387 -12.092 23.482 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -8.195 -13.492 23.766 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -7.293 -13.788 24.018 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -8.754 -14.293 23.900 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 7.723 -14.366 26.292 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 7.342 -15.230 26.549 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 8.100 -14.012 27.124 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 7.013 -14.270 30.517 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 6.201 -13.727 30.544 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 6.782 -15.074 31.031 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 6.200 -16.421 32.050 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 6.716 -17.202 32.349 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 5.792 -16.083 32.856 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 4.793 -12.584 30.329 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 4.072 -12.548 29.656 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 4.588 -11.836 30.929 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 7.180 -18.830 32.914 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 6.375 -19.121 33.396 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 7.916 -19.046 33.526 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 4.015 -28.979 33.612 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 3.772 -28.775 32.697 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 4.992 -28.873 33.630 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 6.905 -26.169 31.802 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 6.491 -25.455 31.268 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 7.856 -25.929 31.820 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -11.152 -12.848 32.988 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -11.381 -13.705 33.423 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -11.739 -12.810 32.201 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.085 -10.202 30.029 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.990 -10.326 30.345 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.171 -9.533 29.308 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.980 -10.355 31.779 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -5.744 -10.238 31.174 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -5.351 -10.850 32.540 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 0.445 -10.760 34.707 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 0.973 -10.393 35.421 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -0.100 -11.447 35.140 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 2.981 -28.673 30.957 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 3.754 -29.266 30.815 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 2.224 -29.293 31.083 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -13.229 -9.764 31.054 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -13.381 -8.815 31.043 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -13.044 -9.967 32.001 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -7.420 -8.467 27.970 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -6.837 -7.678 27.899 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -8.278 -8.165 27.589 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -0.190 -7.458 29.360 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 0.285 -8.268 29.608 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -0.355 -7.561 28.419 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 0.265 -10.565 32.010 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -0.713 -10.598 31.949 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 0.435 -10.450 32.972 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 3.762 -10.233 31.382 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 4.523 -9.659 31.129 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 3.001 -9.822 30.944 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -9.520 -15.851 24.163 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -9.437 -16.573 23.511 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -10.170 -16.181 24.805 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -6.853 -10.254 25.909 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -7.004 -9.701 26.706 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -6.123 -10.855 26.170 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -2.493 -10.043 26.762 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -2.818 -9.962 27.693 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -2.829 -9.248 26.322 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 1.317 -26.143 35.325 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 0.438 -25.860 34.995 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 1.371 -27.102 35.075 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 3.375 -14.634 34.429 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 3.193 -13.683 34.409 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 3.346 -14.898 33.489 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -11.660 -23.975 39.492 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -12.498 -24.064 39.986 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -10.968 -23.973 40.189 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -11.419 -21.616 41.914 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -11.762 -21.398 41.019 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -11.976 -22.361 42.209 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -6.673 -25.854 43.089 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -6.568 -25.946 42.117 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -5.830 -25.501 43.385 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -11.409 -24.541 45.112 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -10.552 -24.743 44.672 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -11.254 -24.746 46.037 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -9.267 -25.251 43.581 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.729 -25.856 42.962 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -8.322 -25.528 43.527 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -2.272 -18.290 38.817 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -1.818 -17.607 39.354 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.556 -18.683 38.283 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -0.706 -16.092 39.407 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -0.962 -15.209 39.079 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 0.271 -16.055 39.454 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -0.018 -18.751 37.208 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 0.133 -19.359 36.474 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.001 -17.863 36.791 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -10.469 -19.376 37.917 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -11.103 -19.949 38.397 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -9.631 -19.493 38.404 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 3.942 -19.771 38.799 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 4.265 -20.263 39.557 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.028 -19.503 39.059 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -3.158 -25.884 36.101 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -3.857 -26.542 35.866 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -3.653 -25.131 36.471 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -9.589 -23.558 41.358 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -9.358 -24.027 42.183 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -10.035 -22.743 41.665 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -4.063 -20.612 38.355 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -3.546 -19.934 38.830 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -4.082 -20.287 37.426 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -14.184 -23.805 40.568 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -13.750 -24.164 41.373 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -14.943 -23.291 40.917 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -0.777 -23.541 37.170 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -0.321 -24.334 37.529 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -0.451 -22.815 37.716 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -12.175 -21.147 39.304 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -12.074 -22.081 39.043 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -13.152 -21.001 39.312 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -9.827 -19.384 41.766 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -10.336 -20.216 41.874 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -10.257 -18.767 42.365 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -1.045 -24.849 34.682 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -1.828 -25.379 34.961 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -0.911 -24.226 35.428 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -3.938 -19.916 35.729 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -4.093 -19.443 34.889 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -4.132 -20.853 35.513 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 2.056 -16.104 39.224 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 2.774 -15.582 39.595 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 2.308 -16.226 38.282 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -0.177 -16.341 35.902 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -1.029 -16.248 36.381 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -0.320 -15.848 35.072 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 1.494 -18.876 39.483 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 1.536 -17.941 39.749 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 0.879 -18.880 38.721 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -4.871 -14.317 33.195 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -4.056 -14.009 32.741 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -4.575 -15.102 33.709 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -2.691 -16.145 37.057 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -2.718 -16.875 37.713 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -2.547 -15.342 37.599 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -8.185 -19.531 39.611 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -7.780 -18.658 39.637 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -8.751 -19.558 40.421 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -1.945 -26.489 38.641 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -1.019 -26.262 38.443 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -2.397 -26.414 37.779 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -3.614 -23.409 37.746 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -3.762 -22.467 37.966 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -2.660 -23.462 37.559 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 0.662 -25.745 37.935 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 0.987 -25.948 37.028 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 1.311 -26.159 38.516 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -3.493 -10.910 35.090 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.745 -10.094 35.538 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.346 -11.259 34.729 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -10.783 -26.368 41.583 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -10.118 -26.264 40.865 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -11.241 -27.206 41.359 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -1.762 -13.782 38.222 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -1.567 -13.357 37.355 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -1.991 -13.046 38.799 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 2.544 -16.289 36.481 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 1.587 -16.298 36.262 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 2.940 -15.700 35.796 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -3.630 -16.383 34.510 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -3.793 -17.315 34.272 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -3.436 -16.409 35.477 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -1.522 -14.704 33.994 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -1.723 -14.304 33.121 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -2.260 -15.336 34.141 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -8.873 -23.216 38.759 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -8.133 -22.583 38.792 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -9.085 -23.384 39.698 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 4.342 -18.428 36.450 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 3.743 -17.651 36.500 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 4.153 -18.930 37.276 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -11.440 -15.363 34.088 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -11.324 -15.939 34.869 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -11.122 -15.907 33.343 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 5.746 -23.711 34.522 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 6.504 -23.113 34.462 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 6.138 -24.595 34.476 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 4.713 -19.477 33.988 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 4.547 -18.977 34.821 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 4.249 -20.333 34.130 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -12.402 -24.327 42.582 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -11.843 -25.052 42.225 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -12.206 -24.331 43.548 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -10.874 -25.218 37.219 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -11.064 -24.814 38.103 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -9.885 -25.221 37.166 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -3.750 -27.133 40.615 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -3.135 -26.846 39.898 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -3.264 -27.816 41.081 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -6.576 -21.698 38.968 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -7.095 -20.901 39.212 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -5.674 -21.350 38.795 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 0.450 -5.215 -11.559 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -0.400 -4.860 -11.851 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 0.857 -4.471 -11.050 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -8.118 -2.098 -5.171 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -9.066 -2.285 -5.147 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -7.713 -2.857 -4.702 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 1.180 -3.215 -9.888 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 0.769 -3.323 -9.005 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 1.031 -2.274 -10.110 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -8.743 7.160 -12.469 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -8.358 6.451 -13.036 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -8.166 7.914 -12.615 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.275 5.088 -16.531 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -5.401 4.743 -16.738 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -6.631 5.365 -17.382 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 3.888 -6.936 -7.942 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 3.798 -6.147 -8.519 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 3.817 -6.575 -7.042 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.120 -4.473 -7.558 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 0.163 -5.284 -8.108 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 0.601 -4.717 -6.736 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -5.109 -9.922 -7.341 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -5.347 -9.411 -6.533 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -5.897 -10.479 -7.510 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 3.414 -6.166 -11.238 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 4.067 -6.776 -11.638 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 2.758 -6.030 -11.932 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -8.515 -3.857 -7.645 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -8.783 -2.933 -7.520 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -8.832 -4.079 -8.528 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -3.778 -4.962 -8.030 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -3.248 -5.482 -8.681 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -4.625 -4.835 -8.468 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.760 -4.440 -6.418 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.807 -4.270 -7.383 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 4.151 -3.637 -6.015 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -6.787 -6.180 -5.364 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -7.576 -5.731 -4.984 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -6.641 -5.723 -6.202 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -1.192 -0.872 -8.649 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -1.699 -1.526 -8.117 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -1.372 -0.006 -8.203 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 2.233 -8.721 -9.157 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 2.877 -8.136 -8.694 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 2.548 -8.736 -10.087 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -9.186 -4.839 -5.173 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -10.035 -5.313 -5.282 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -8.975 -4.514 -6.075 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 0.576 -0.548 -10.657 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -0.186 -0.622 -10.030 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 0.187 -0.179 -11.458 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 1.485 -5.492 -5.407 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 1.749 -5.987 -4.609 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 2.321 -5.062 -5.710 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.423 2.053 -4.814 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 1.379 2.293 -5.766 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 1.716 1.122 -4.818 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 1.418 2.606 -7.485 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 1.866 1.973 -8.092 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.532 3.462 -7.912 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -7.506 5.309 -14.069 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -7.360 4.393 -13.818 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -7.102 5.378 -14.962 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -2.100 -2.954 -7.092 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -2.788 -3.594 -7.366 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -1.259 -3.453 -7.190 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -1.116 1.464 -7.350 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -0.289 1.981 -7.361 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -1.691 1.941 -6.706 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -6.584 2.566 -3.268 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -7.348 2.808 -3.823 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -5.924 3.272 -3.460 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -12.924 3.090 -8.403 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -12.308 3.852 -8.439 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -13.812 3.498 -8.486 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -4.550 0.761 -4.459 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -5.177 1.222 -3.875 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -5.125 0.320 -5.125 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 2.273 -3.612 -0.350 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 2.686 -4.341 -0.861 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 2.765 -3.607 0.497 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.270 -5.898 -13.185 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -9.876 -5.761 -13.913 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -8.535 -6.403 -13.575 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 0.319 -6.674 -9.219 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 0.600 -6.221 -10.041 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 0.947 -7.419 -9.131 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -2.897 -7.448 -12.384 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.174 -7.698 -12.983 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -3.620 -7.167 -12.985 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -2.402 -6.355 -9.900 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -2.602 -6.744 -10.781 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.460 -6.562 -9.755 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -7.645 -9.936 -13.555 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -8.236 -10.635 -13.266 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -6.744 -10.306 -13.406 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 2.487 0.750 -9.204 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 1.911 0.325 -9.882 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 3.385 0.537 -9.488 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -7.417 -7.473 -14.585 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -7.516 -8.324 -14.085 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -7.754 -7.679 -15.464 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -2.645 2.520 -5.405 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -3.397 1.945 -5.166 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -2.531 3.097 -4.628 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 4.270 1.596 -4.277 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 3.643 0.856 -4.392 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 3.718 2.386 -4.357 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -6.311 -0.407 -6.202 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -6.060 -0.829 -7.033 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -6.959 -1.038 -5.796 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 0.204 -7.869 -12.299 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 0.299 -6.910 -12.143 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 1.120 -8.216 -12.225 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -4.833 -6.601 -14.217 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -5.729 -7.003 -14.298 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -5.008 -5.655 -14.154 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -0.654 -10.361 -11.713 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 0.110 -10.686 -11.221 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -0.391 -9.454 -11.997 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 1.804 -7.294 -3.322 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 2.231 -6.664 -2.711 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 2.204 -8.151 -3.093 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 1.258 -0.909 -7.406 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 1.722 -0.300 -8.013 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 0.362 -0.987 -7.787 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -9.243 -8.041 -5.484 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -8.358 -7.856 -5.823 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -9.417 -8.967 -5.752 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -10.140 7.924 -3.067 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -9.202 7.839 -3.254 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -10.337 7.169 -2.475 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -2.317 1.501 -1.699 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -2.515 1.222 -0.789 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -1.351 1.346 -1.786 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 2.406 -7.413 0.312 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 2.859 -7.430 1.184 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 1.959 -8.290 0.262 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -14.753 8.916 -10.161 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -15.064 8.922 -11.075 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -13.777 9.063 -10.237 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 4.480 -0.069 -1.600 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 4.609 0.848 -1.870 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 5.323 -0.509 -1.834 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 7.819 3.662 -9.150 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 8.656 3.432 -9.557 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 7.828 4.620 -9.111 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -0.073 3.953 -3.455 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 0.545 4.678 -3.580 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 0.393 3.173 -3.832 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -10.084 -0.497 -7.428 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -10.637 -0.104 -8.144 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -9.503 0.236 -7.147 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 2.061 -1.286 -1.824 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 2.195 -2.141 -1.366 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 2.945 -0.853 -1.786 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 4.751 -2.066 -5.308 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 4.895 -2.602 -4.490 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 5.491 -1.428 -5.309 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 3.540 -4.454 -9.164 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 3.648 -4.983 -9.986 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 2.778 -3.872 -9.358 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 2.529 -0.500 -5.092 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 3.312 -1.099 -5.086 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 2.098 -0.684 -5.963 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 2.600 -9.104 -11.908 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 2.482 -9.935 -12.420 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.523 -8.832 -12.102 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -11.415 -6.452 -5.445 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -10.661 -7.090 -5.432 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -12.139 -6.947 -5.883 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -14.936 -4.669 -9.414 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -14.678 -4.501 -10.325 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -15.000 -3.773 -9.014 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -11.215 -2.845 -3.068 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -11.880 -3.550 -3.214 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -11.301 -2.273 -3.867 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -8.365 1.447 -6.359 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -8.009 2.350 -6.316 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -7.569 0.873 -6.359 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -2.741 3.850 -2.952 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -1.790 4.075 -3.082 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -2.716 3.010 -2.440 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 3.351 -9.819 -2.586 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 2.512 -10.306 -2.437 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 3.993 -10.271 -1.994 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -10.519 5.401 -5.905 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -11.189 5.967 -5.468 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -10.779 5.417 -6.852 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -8.250 4.015 -5.067 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.526 4.659 -5.032 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -9.032 4.547 -5.357 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -12.074 9.058 -10.311 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -11.290 9.617 -10.305 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -11.727 8.162 -10.521 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -10.945 6.612 -11.001 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -10.104 6.874 -11.454 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -11.287 5.891 -11.544 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 5.986 -8.762 -7.897 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 5.295 -8.071 -7.997 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 6.420 -8.793 -8.776 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 5.137 -8.099 -12.245 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 5.768 -8.408 -11.553 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 5.676 -8.037 -13.043 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -5.197 -11.023 -13.024 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -4.661 -10.672 -12.281 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -4.901 -11.955 -13.112 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -3.064 -10.857 -14.848 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -3.902 -10.785 -14.352 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -2.890 -9.940 -15.153 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 3.830 -12.143 -11.228 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 3.325 -12.072 -10.394 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 3.169 -11.977 -11.923 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -2.885 -8.191 -15.371 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -3.641 -7.645 -15.070 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -2.623 -7.794 -16.207 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -1.961 -11.779 -0.438 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -1.336 -12.523 -0.503 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -2.068 -11.643 0.528 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -2.058 -0.234 5.109 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -1.208 -0.684 5.331 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -1.822 0.717 5.078 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -2.748 -0.368 7.800 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -3.673 -0.606 7.927 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -2.611 -0.443 6.833 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -10.852 -4.457 6.707 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -10.517 -5.030 7.440 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -10.887 -3.574 7.096 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 0.344 -1.351 5.553 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 0.325 -2.281 5.869 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 1.147 -0.972 5.968 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -7.887 0.661 7.986 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -7.770 -0.287 7.738 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -8.559 0.986 7.351 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -10.934 -4.486 3.905 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -10.786 -4.441 4.876 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -10.497 -3.676 3.559 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -9.777 1.539 6.152 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.371 2.388 5.870 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -10.637 1.800 6.517 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -2.078 4.035 7.153 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -1.227 4.492 7.328 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -2.757 4.730 7.287 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 4.100 -6.878 9.676 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 5.018 -6.598 9.480 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 3.829 -7.380 8.879 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 2.857 -4.666 12.459 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 2.518 -4.491 11.572 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 3.313 -5.535 12.376 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -5.206 -5.365 8.110 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -5.173 -4.806 8.921 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -5.971 -5.965 8.267 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 2.637 -4.907 6.709 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 3.113 -5.423 6.026 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.154 -5.045 7.511 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -8.293 -7.363 2.392 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.014 -7.861 3.170 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -9.271 -7.319 2.475 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 6.572 -4.745 11.640 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 6.074 -4.178 12.265 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 7.520 -4.557 11.850 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -7.090 -7.178 8.862 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -7.629 -7.050 9.665 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -7.615 -7.807 8.325 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -1.054 2.312 5.205 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -1.631 2.887 5.755 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -0.236 2.222 5.735 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -4.022 -1.096 11.056 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -4.907 -0.787 10.738 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -3.526 -0.280 11.194 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 3.075 -7.999 7.387 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 2.181 -7.682 7.568 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 2.951 -8.959 7.187 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.346 -0.019 10.209 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.826 0.189 9.384 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.887 0.403 10.911 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 3.932 -7.182 12.386 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 4.862 -7.434 12.557 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 3.851 -7.227 11.404 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -1.628 -10.649 9.723 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -0.797 -11.056 9.429 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -1.409 -9.692 9.816 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 0.493 4.986 7.529 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 0.884 5.406 8.303 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 0.770 5.563 6.776 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 1.310 6.748 5.621 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 2.117 7.156 5.294 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 0.627 7.002 4.961 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -1.776 0.648 0.877 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -1.010 0.538 0.277 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -1.745 -0.148 1.450 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 0.135 -4.036 6.132 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 1.040 -4.332 6.396 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -0.456 -4.729 6.488 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -2.236 -2.681 9.634 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -1.987 -2.035 8.953 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -2.958 -2.240 10.124 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 2.474 0.261 6.349 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 1.912 1.008 6.672 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 3.247 0.283 6.922 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -3.956 7.109 16.607 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -4.550 7.738 17.023 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -3.899 7.407 15.679 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 0.258 0.727 -1.163 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 0.838 -0.001 -1.474 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 0.754 1.122 -0.412 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 5.052 -7.707 -2.964 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 4.473 -8.487 -2.859 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 5.657 -7.955 -3.682 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -12.665 1.506 7.682 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -12.625 1.048 8.529 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -12.167 2.342 7.839 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -2.060 5.166 16.487 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -1.930 4.770 17.352 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -2.780 5.824 16.629 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -2.939 7.930 4.733 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -2.902 8.231 5.665 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -3.614 8.514 4.322 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -8.707 4.084 6.081 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -8.461 3.912 7.015 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -8.218 4.899 5.853 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -0.486 7.429 3.681 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -0.587 6.705 3.021 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -1.393 7.541 4.055 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -3.066 8.759 7.411 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -3.806 9.236 7.850 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -2.278 9.237 7.693 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 5.043 -3.331 13.496 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 4.200 -3.780 13.264 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 4.821 -2.395 13.488 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -7.892 1.493 11.905 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -8.615 1.478 12.540 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -7.675 2.431 11.810 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -3.741 -7.703 7.567 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.271 -6.908 7.789 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -3.999 -8.359 8.242 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 1.379 -6.616 13.834 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 2.122 -7.203 13.602 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 1.666 -5.737 13.514 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -0.376 -2.024 0.124 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 0.581 -2.173 0.098 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -0.563 -1.818 1.057 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -5.516 -4.084 10.548 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -5.531 -3.147 10.776 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -5.711 -4.539 11.389 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -6.562 -6.593 0.363 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -6.501 -7.408 -0.171 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -7.146 -6.842 1.115 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.438 -1.447 2.670 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -1.803 -1.011 3.469 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -1.188 -2.342 2.983 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -0.678 -3.982 3.506 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -0.501 -3.903 4.468 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 0.095 -4.486 3.166 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -12.399 -6.474 5.550 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -11.912 -5.748 5.995 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -13.346 -6.253 5.700 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -3.968 -4.704 5.574 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -3.148 -4.939 6.038 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -4.654 -4.761 6.265 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 0.833 -11.046 3.244 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 0.512 -11.320 4.133 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 1.673 -10.572 3.432 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -2.202 -7.074 4.128 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -2.972 -7.631 4.281 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -2.564 -6.280 3.689 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 2.252 -10.451 6.713 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 2.396 -11.078 7.467 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 1.450 -10.796 6.279 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -3.246 -4.756 2.941 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -2.372 -4.315 3.038 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -3.691 -4.597 3.809 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -3.856 -10.215 6.329 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -3.674 -9.266 6.438 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -4.163 -10.497 7.219 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 1.581 -5.341 2.703 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 2.276 -4.670 2.536 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 2.081 -6.151 2.931 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -1.513 5.994 13.962 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -1.656 5.630 14.868 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -0.785 5.475 13.613 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 3.540 -3.506 2.149 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 4.380 -3.820 2.510 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 3.476 -2.590 2.457 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -7.908 -1.813 6.926 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -7.602 -2.697 6.703 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -8.694 -1.679 6.355 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 0.850 2.255 7.229 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 0.185 1.987 7.904 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 0.888 3.232 7.310 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -3.403 7.913 13.940 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -2.764 7.159 13.870 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -2.840 8.695 13.964 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -1.380 1.838 8.730 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -1.825 2.562 8.248 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -1.877 1.034 8.473 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 1.344 1.540 1.201 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 1.396 1.035 2.045 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 2.100 2.132 1.235 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -8.801 -7.142 11.052 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -9.649 -7.491 11.395 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -8.143 -7.457 11.687 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 1.635 0.198 3.587 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 0.964 -0.432 3.905 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 2.139 0.427 4.387 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.996 3.546 8.239 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -11.087 4.488 8.056 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -10.050 3.438 8.479 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -1.396 -7.953 10.397 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -1.344 -7.099 9.921 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -1.393 -7.696 11.340 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -1.755 -11.542 2.341 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -2.162 -11.809 3.188 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -0.821 -11.374 2.571 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -4.657 -4.544 0.529 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -5.364 -5.224 0.590 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -4.298 -4.489 1.442 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -1.325 -5.355 9.317 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -1.438 -5.478 8.358 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -1.639 -4.442 9.479 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.199 -11.294 3.208 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -5.474 -10.746 3.520 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -5.940 -11.537 2.293 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 6.710 -7.407 12.282 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 7.246 -7.669 11.504 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 6.596 -6.438 12.175 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -9.047 -8.760 7.741 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -9.904 -8.740 7.263 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -8.725 -9.662 7.605 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -10.142 -2.142 2.810 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -9.958 -1.661 3.642 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -11.037 -1.844 2.553 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -3.874 6.354 1.431 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -4.604 7.011 1.487 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -3.078 6.891 1.335 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -0.840 5.409 1.894 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -0.557 5.342 0.977 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -0.897 4.476 2.197 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -1.366 2.833 2.559 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -1.045 2.539 3.444 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -1.254 2.041 1.987 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 6.873 -1.102 -2.526 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 7.818 -1.050 -2.353 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 6.774 -0.740 -3.435 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.749 -8.551 14.002 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -4.115 -7.935 14.663 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -4.257 -8.349 13.189 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -5.462 -7.882 11.921 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -5.356 -7.838 10.959 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -5.704 -6.966 12.177 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -2.768 -3.184 12.623 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -3.315 -2.428 12.351 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -2.326 -3.461 11.808 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -0.255 -6.298 16.080 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -1.004 -5.805 15.679 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 0.399 -6.366 15.352 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -2.656 -10.628 12.272 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -2.274 -10.729 11.374 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -2.692 -9.672 12.409 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -2.350 -5.136 14.575 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -2.528 -4.303 14.082 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -2.107 -5.775 13.876 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -1.277 -7.201 13.067 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -0.334 -7.141 13.328 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -1.665 -7.823 13.703 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 0.519 -10.565 19.641 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 0.952 -9.691 19.698 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 0.694 -10.863 18.736 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -7.355 -9.858 17.889 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -7.516 -10.821 17.981 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -7.550 -9.497 18.782 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -5.440 -7.633 17.685 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -6.091 -8.356 17.604 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -5.641 -7.227 18.553 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -4.481 5.658 4.734 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -3.915 6.445 4.575 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -4.376 5.485 5.691 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -13.195 4.326 2.828 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -13.728 5.044 2.411 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -12.746 4.766 3.585 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -11.539 5.369 4.742 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -10.762 4.871 5.022 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -11.166 6.174 4.316 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 5.039 -3.463 -3.012 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 4.666 -4.173 -2.467 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 5.652 -3.003 -2.421 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -10.125 -1.115 5.413 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -9.980 -0.160 5.595 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -11.104 -1.206 5.373 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 3.538 -5.802 -1.561 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 4.198 -6.355 -2.039 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 3.211 -6.390 -0.838 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -9.354 -8.979 16.193 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -8.586 -9.290 16.715 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -9.983 -8.643 16.871 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 3.215 -7.628 2.894 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 3.679 -7.198 3.649 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 3.176 -8.575 3.153 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -9.981 -6.162 8.667 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -9.746 -7.022 8.276 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -9.607 -6.204 9.564 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 1.731 -7.994 17.317 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 1.475 -7.953 18.258 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 1.070 -7.438 16.866 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -11.023 -7.183 2.876 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -11.923 -7.563 2.805 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -11.018 -6.755 3.752 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -5.466 7.700 12.141 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -6.168 7.986 12.730 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -4.664 7.702 12.707 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -7.440 9.051 9.479 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -7.835 8.881 8.589 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -8.190 9.314 10.023 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -5.861 6.719 9.646 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -6.560 7.334 9.359 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -5.591 7.066 10.530 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -3.977 6.081 7.496 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -3.581 6.976 7.450 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -4.667 6.162 8.184 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -8.343 8.457 7.026 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -8.055 7.667 6.520 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -9.186 8.728 6.587 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -8.273 3.293 8.693 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -8.056 2.339 8.620 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -7.627 3.636 9.352 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -6.338 4.108 10.463 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -6.191 5.033 10.164 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -5.484 3.837 10.819 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -1.737 -6.051 6.655 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -1.624 -6.413 5.749 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -2.348 -6.693 7.091 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 4.147 -6.680 5.233 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 5.035 -6.381 5.548 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 3.859 -7.327 5.915 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -11.459 -8.934 6.445 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -12.111 -9.122 7.162 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -11.787 -8.102 6.038 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -4.336 -10.376 9.011 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -3.453 -10.612 9.365 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -4.965 -10.882 9.572 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 0.144 -11.957 5.790 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.335 -12.363 6.662 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -0.812 -12.121 5.650 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.084 -9.810 0.548 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 0.972 -10.470 -0.149 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 0.932 -10.305 1.374 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -14.297 1.002 5.555 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -15.070 1.536 5.767 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -13.686 1.150 6.316 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -0.474 10.112 3.165 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 0.425 10.324 2.910 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -0.446 9.153 3.369 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -6.494 -10.231 12.904 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -6.109 -9.398 12.558 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -7.402 -9.975 13.184 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -11.067 5.946 -1.275 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -11.221 5.265 -0.580 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -11.560 6.736 -0.949 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -4.372 -3.743 24.445 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -3.429 -3.959 24.268 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -4.533 -2.950 23.926 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 4.971 -7.306 25.850 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 5.624 -7.722 26.445 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 4.566 -8.061 25.376 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -1.511 -5.900 26.071 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -1.143 -5.418 26.819 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -1.525 -5.245 25.343 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -9.608 -7.670 26.549 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -9.378 -8.071 25.684 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -10.505 -7.349 26.430 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -5.368 -6.209 24.962 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -5.539 -6.264 25.928 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -5.078 -5.275 24.822 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 3.765 -9.419 24.589 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 3.832 -10.082 23.868 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 2.875 -9.026 24.474 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 5.888 -8.978 30.286 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.383 -9.721 29.890 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 6.094 -8.227 29.720 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -4.664 -11.939 26.359 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -4.829 -12.147 27.306 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -3.826 -11.433 26.368 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 0.459 -3.053 23.388 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 0.758 -2.183 23.665 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 1.268 -3.485 23.039 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -3.686 -5.035 20.292 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -3.221 -4.617 19.557 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -2.977 -5.289 20.910 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 1.215 -4.737 19.905 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 1.984 -5.316 19.735 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 1.489 -4.196 20.659 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -0.911 -5.933 18.719 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -0.154 -5.389 19.046 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -0.710 -6.070 17.767 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -4.883 -13.135 19.270 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -4.831 -13.882 19.909 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -5.324 -12.422 19.777 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.688 -7.535 22.980 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -7.462 -7.941 23.422 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -6.255 -7.008 23.693 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -1.352 -6.006 21.478 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -0.444 -6.104 21.852 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -1.208 -6.013 20.506 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -1.822 -4.426 23.759 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -1.767 -5.021 22.986 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -1.038 -3.833 23.659 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -6.258 -5.462 12.979 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -5.715 -5.697 13.769 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -7.106 -5.194 13.349 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -3.055 -7.649 24.662 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -3.933 -7.224 24.754 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -2.463 -7.099 25.225 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -5.790 -6.763 20.346 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -6.034 -6.778 21.292 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -5.096 -6.065 20.290 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 1.073 -9.999 29.432 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 0.723 -10.232 30.321 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 1.624 -10.771 29.181 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -5.873 -6.207 27.684 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -6.458 -5.419 27.575 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -5.218 -5.928 28.337 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -7.567 -8.829 20.410 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -7.980 -8.632 21.262 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -6.924 -8.097 20.282 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -7.404 -4.070 27.080 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -7.896 -3.349 27.487 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -7.591 -3.985 26.137 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -2.668 -7.959 19.429 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -3.444 -7.960 18.848 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -2.064 -7.306 19.020 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 1.115 -6.613 22.473 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 1.284 -7.034 23.347 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 1.732 -5.851 22.451 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 4.762 -1.152 20.217 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 5.238 -0.420 20.622 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 4.558 -0.842 19.328 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -2.420 -10.721 32.546 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -3.289 -10.440 32.181 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -2.542 -10.662 33.514 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -4.866 -6.276 15.215 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -5.049 -6.583 16.130 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -4.019 -5.790 15.287 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 1.588 -7.731 24.917 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 0.987 -8.197 25.549 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 2.091 -7.125 25.480 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 6.769 -4.400 16.048 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 7.678 -4.613 15.741 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 6.349 -3.987 15.277 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 2.696 -4.326 22.453 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 3.392 -4.122 21.788 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 3.207 -4.569 23.265 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 1.557 -8.025 20.116 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 2.380 -7.520 19.928 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 1.245 -7.653 20.964 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 4.608 -3.865 20.578 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 5.431 -4.116 20.098 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 4.587 -2.883 20.512 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 0.187 -9.031 26.865 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -0.664 -9.505 26.791 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 0.589 -9.389 27.682 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 3.529 -6.252 19.674 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 3.986 -5.493 20.094 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 4.006 -6.379 18.829 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 1.906 -13.975 26.844 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 1.129 -13.723 26.303 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 1.576 -14.704 27.419 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 4.142 -10.493 27.089 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 4.965 -10.003 27.263 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 3.876 -10.200 26.197 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 -8.761 -9.048 24.302 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 -9.306 -9.763 23.907 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 -8.117 -9.526 24.869 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -7.777 -12.528 18.593 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -8.411 -13.206 18.887 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -7.317 -12.257 19.418 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 -5.524 -13.990 24.429 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 -5.288 -14.716 25.016 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 -5.205 -13.192 24.896 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 -6.521 -11.395 20.679 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 -6.533 -11.523 21.652 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 -6.807 -10.465 20.560 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -4.791 -9.488 22.412 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -5.280 -10.274 22.730 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -5.417 -8.750 22.552 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 -5.028 4.584 -4.232 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 -4.225 4.487 -3.668 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 -4.680 4.854 -5.089 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 -2.962 11.181 3.336 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 -2.797 12.108 3.152 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 -2.073 10.761 3.272 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -13.255 11.412 -7.673 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -13.304 10.589 -8.175 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -13.640 12.071 -8.258 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 -12.455 9.272 -3.386 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 -11.528 8.941 -3.308 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 -12.381 10.055 -3.986 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -12.405 11.384 -5.062 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -12.156 12.305 -4.943 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -12.732 11.341 -5.988 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 -4.997 10.209 8.818 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 -5.761 9.739 9.220 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 -4.930 11.027 9.324 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 -10.513 9.112 5.528 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 -10.489 8.485 4.774 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 -11.187 9.751 5.282 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 -5.004 9.487 3.843 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -5.449 9.717 4.696 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 -4.369 10.229 3.695 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 -7.266 6.377 5.464 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 -7.587 6.489 4.544 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 -6.298 6.328 5.371 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 -10.369 7.315 3.438 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 -9.475 6.964 3.226 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 -10.864 7.217 2.613 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 -11.643 4.039 0.584 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 -11.102 3.230 0.693 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 -12.109 4.137 1.445 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 -6.100 9.924 6.277 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 -6.941 9.488 6.516 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 -5.681 10.119 7.134 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 -7.847 6.436 2.798 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 -7.489 5.540 2.614 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 -7.201 7.044 2.370 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 -5.931 8.107 1.736 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 -5.616 8.587 2.544 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 -6.174 8.812 1.125 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.978 -32.243 15.118 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 12.576 -32.406 14.368 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.128 -32.643 14.832 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 5.661 -30.729 9.167 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 5.226 -30.537 8.305 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 6.460 -30.165 9.158 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 10.366 -30.653 2.888 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 10.810 -31.371 2.429 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.627 -30.401 2.282 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 9.959 -33.402 13.706 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 9.996 -34.331 13.385 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 9.075 -33.329 14.137 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.034 -30.470 11.526 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 8.925 -30.617 11.862 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 7.625 -31.362 11.531 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 8.212 -29.962 1.393 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 7.669 -29.587 2.121 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 7.882 -29.511 0.597 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 13.140 -33.003 17.504 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 14.004 -33.295 17.190 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 12.667 -32.726 16.686 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 5.668 -23.979 2.563 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 5.158 -23.968 3.405 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 5.407 -23.138 2.112 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 6.750 -28.737 3.349 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 5.896 -28.292 3.199 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 6.582 -29.336 4.107 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 7.522 -33.708 18.251 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 7.138 -34.437 18.771 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 6.804 -33.442 17.646 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 7.311 -33.156 11.964 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 7.937 -33.871 11.797 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.208 -33.148 12.944 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.519 -30.227 14.322 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 7.526 -29.986 13.382 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.660 -29.371 14.790 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.028 -27.923 8.802 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.865 -28.813 9.126 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.158 -27.629 8.462 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 7.789 -28.980 9.202 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 7.875 -29.318 10.119 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.623 -29.267 8.764 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 7.013 -27.872 -0.106 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 7.365 -27.312 0.596 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.016 -27.287 -0.902 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 11.918 -32.987 26.089 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.347 -33.636 26.548 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.489 -33.539 25.503 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 14.783 -35.952 22.651 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 15.230 -36.805 22.643 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 13.876 -36.152 22.315 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.860 -34.055 29.817 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.757 -34.267 28.869 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 10.115 -34.491 30.237 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 7.174 -35.552 20.388 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 7.952 -36.079 20.594 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 7.307 -34.719 20.890 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.269 -34.080 24.035 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.935 -34.731 23.740 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.257 -33.415 23.327 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 12.411 -32.341 31.471 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 12.171 -32.495 32.410 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 11.976 -33.074 30.985 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 13.275 -29.702 35.245 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 13.667 -29.764 36.121 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 14.046 -29.524 34.650 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.035 -37.050 26.100 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.164 -37.411 25.900 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.644 -37.764 25.885 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 3.588 -31.756 26.830 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 3.504 -32.329 26.058 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 3.617 -30.842 26.449 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.705 -30.026 30.707 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.789 -29.684 30.743 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.620 -30.952 31.023 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 9.951 -34.674 27.210 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.765 -35.554 26.809 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 9.112 -34.205 27.144 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 12.192 -36.017 21.852 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.706 -35.512 22.514 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.141 -35.465 21.044 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 15.077 -28.426 25.914 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 15.112 -29.170 26.546 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 15.396 -28.803 25.086 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 12.376 -28.013 26.323 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 13.297 -27.872 26.023 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 12.402 -28.894 26.755 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.317 -31.009 20.993 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.558 -31.331 21.892 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.679 -31.675 20.665 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 14.619 -33.534 21.311 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 14.855 -34.373 21.754 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 15.433 -32.991 21.381 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 12.315 -34.040 19.903 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 13.107 -33.776 20.427 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 12.549 -33.792 18.983 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 7.565 -33.216 21.700 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.046 -32.443 21.447 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 8.425 -33.090 21.235 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 5.149 -30.398 30.960 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 5.074 -30.860 31.808 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 5.143 -31.123 30.291 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 15.426 -29.155 33.686 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 15.300 -28.521 32.950 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 16.247 -29.605 33.471 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 17.157 -32.424 21.657 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 17.786 -31.869 21.184 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 17.672 -32.815 22.369 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.665 -33.030 19.966 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 10.496 -33.510 19.766 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.087 -33.212 19.191 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 11.005 -29.988 31.117 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 10.429 -29.796 31.887 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 11.400 -30.864 31.324 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 15.009 -27.703 31.318 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 14.552 -28.545 31.096 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 15.387 -27.409 30.468 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 12.655 -30.614 27.236 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 12.529 -31.505 26.832 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 13.559 -30.646 27.613 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 12.572 -30.483 18.602 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 12.197 -30.499 19.511 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 12.872 -31.400 18.454 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 11.698 -31.743 34.088 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.867 -31.572 34.569 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.326 -31.090 34.457 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 7.332 -19.838 -5.034 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.139 -20.100 -5.481 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.257 -20.467 -4.285 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 2.673 -18.010 -3.263 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 2.715 -18.429 -2.369 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 3.506 -18.299 -3.703 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 6.779 -18.290 0.317 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 6.456 -19.089 -0.161 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 6.521 -17.558 -0.250 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 10.836 -23.091 -4.266 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 11.553 -23.297 -3.658 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.273 -22.941 -5.109 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 6.956 -21.671 -3.057 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 6.004 -21.772 -3.268 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 6.957 -21.281 -2.161 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 8.319 -18.023 8.404 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 7.855 -18.017 7.540 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 8.225 -18.940 8.714 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 10.491 -21.698 8.853 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 10.876 -22.600 8.781 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.957 -21.602 8.034 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 7.180 -21.396 11.100 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 7.166 -21.231 10.133 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 7.694 -22.233 11.192 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 12.750 -12.430 11.336 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 13.539 -12.315 10.796 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 12.153 -12.987 10.776 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 12.461 -19.003 11.037 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 12.729 -19.079 10.102 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 11.514 -19.229 11.027 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 6.343 -16.358 4.388 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 5.755 -15.996 5.088 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 6.333 -15.663 3.693 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 10.740 -35.614 12.328 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.854 -36.476 11.912 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.636 -35.242 12.360 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.145 -19.529 8.358 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 12.483 -19.718 7.479 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 11.581 -20.303 8.571 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 9.838 -19.942 10.886 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 9.978 -20.609 10.177 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 9.939 -20.457 11.724 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.328 -13.880 17.471 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.625 -14.148 16.584 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 11.147 -13.894 18.014 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.012 -12.881 18.344 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.897 -13.194 18.025 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 7.917 -13.299 19.227 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 10.898 -21.802 3.553 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 10.322 -22.228 2.905 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 10.424 -20.990 3.795 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 4.496 -12.761 4.788 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 4.499 -13.631 5.245 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 4.841 -12.136 5.470 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 7.691 -14.691 16.113 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.644 -14.707 15.894 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 7.642 -14.132 16.911 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 10.644 -26.867 7.928 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 10.144 -26.709 7.096 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.869 -25.967 8.241 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 9.313 -17.416 11.790 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 9.709 -16.805 11.142 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 9.613 -18.301 11.494 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 9.372 -26.435 5.559 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.147 -26.735 5.044 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.407 -25.452 5.497 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.133 -21.415 6.506 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 9.249 -20.792 5.755 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.256 -22.304 6.100 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 12.248 -25.183 5.740 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 13.036 -25.283 6.306 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 12.162 -26.046 5.296 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 9.645 -23.777 5.241 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 9.111 -23.619 4.422 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.570 -23.679 4.944 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 7.043 -18.571 6.001 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 7.617 -19.073 5.402 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 6.688 -17.848 5.441 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 7.165 -17.021 14.601 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 7.319 -16.296 15.237 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 6.865 -17.773 15.161 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.481 -24.217 8.212 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 12.397 -24.505 8.413 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 11.427 -24.272 7.236 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 11.557 -27.762 4.647 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 10.888 -28.436 4.890 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 12.168 -28.233 4.068 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 16.026 -24.584 9.670 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 15.969 -23.919 10.363 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 16.957 -24.828 9.649 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.252 -20.617 8.314 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 6.668 -20.148 7.698 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 7.925 -21.032 7.732 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 7.891 -18.122 2.807 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 7.367 -17.479 3.324 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 7.512 -18.065 1.900 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 6.069 -21.124 13.724 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 6.075 -21.872 14.351 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 6.427 -21.501 12.895 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 6.695 -13.633 13.811 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 5.984 -14.180 13.465 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 6.941 -14.063 14.660 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.439 -19.550 4.482 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.874 -19.237 3.733 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.012 -18.797 4.672 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 8.273 -23.291 2.997 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 7.401 -23.718 2.857 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 8.210 -22.453 2.485 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.749 -20.949 1.751 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 6.802 -21.152 1.598 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.798 -19.984 1.681 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.110 -29.544 7.909 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.991 -29.774 6.964 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 10.376 -28.601 7.894 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 5.854 -14.151 2.784 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 5.496 -13.528 3.445 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 5.329 -13.979 1.986 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.183 -10.160 18.676 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 8.251 -11.134 18.575 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 8.920 -9.930 19.282 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.322 -21.148 13.237 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 10.314 -21.992 13.703 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 11.178 -20.736 13.495 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.541 -23.743 11.425 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.242 -24.091 10.861 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.794 -24.032 12.330 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.445 -33.200 12.460 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 11.509 -33.140 12.738 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.483 -32.698 11.640 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 12.745 -19.860 13.625 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 13.208 -19.170 14.105 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 12.793 -19.573 12.685 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.242 -24.498 14.038 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.976 -25.048 14.328 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.562 -24.624 14.729 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 11.339 -29.765 16.328 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 11.465 -30.548 15.757 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 11.748 -30.029 17.187 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 7.848 -27.744 15.406 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 7.570 -26.813 15.415 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 8.441 -27.822 16.180 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 13.003 -27.597 17.020 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.417 -28.225 17.628 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 12.377 -28.141 16.510 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 2.557 -15.009 -1.154 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 2.821 -14.460 -1.928 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 2.659 -15.920 -1.465 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 3.237 -10.133 4.158 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 3.049 -10.141 5.125 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 3.855 -10.873 4.034 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 5.344 -11.422 6.993 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 4.725 -12.075 7.422 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 5.841 -11.057 7.726 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 3.432 -22.868 -0.434 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 3.824 -22.360 0.314 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 2.774 -22.254 -0.824 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.403 -10.276 14.052 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 7.060 -10.040 13.181 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.990 -11.039 13.881 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.803 -10.273 10.952 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.496 -11.186 10.914 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 9.617 -10.316 11.497 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 10.990 -10.711 12.547 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.408 -11.351 13.014 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 11.700 -11.270 12.162 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 10.252 -14.649 14.735 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 11.137 -14.302 14.453 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 10.122 -15.437 14.184 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.420 -16.548 9.349 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 11.128 -17.154 9.086 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 9.602 -16.962 8.981 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.467 -29.636 5.240 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 8.532 -29.926 5.301 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.796 -30.064 4.413 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 4.780 -26.569 2.621 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 5.191 -25.698 2.420 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 4.121 -26.365 3.322 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 13.924 -25.454 8.079 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 14.710 -25.147 8.583 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 13.816 -26.393 8.353 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 5.681 -20.464 -0.951 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 5.039 -20.717 -1.644 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 5.378 -20.952 -0.153 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 9.519 -28.134 17.559 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 8.988 -28.752 18.080 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.152 -28.711 17.071 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 5.600 -19.138 25.583 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 5.100 -19.973 25.654 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 6.533 -19.428 25.527 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.353 -21.649 25.286 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.917 -22.422 25.476 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 10.301 -21.625 24.310 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 12.167 -23.769 25.735 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 12.792 -23.385 26.365 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 12.676 -23.815 24.888 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 7.064 -21.634 23.346 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.168 -21.287 24.257 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.559 -22.468 23.464 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 10.836 -14.010 23.257 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 10.368 -14.811 22.982 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 10.406 -13.756 24.085 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.651 -29.316 24.613 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 11.219 -28.695 25.112 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 10.630 -28.939 23.697 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 14.024 -19.720 30.063 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.567 -19.600 30.924 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 14.104 -18.812 29.707 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.580 -22.564 31.381 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.134 -22.238 32.132 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.171 -21.747 31.018 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.707 -21.696 22.622 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.815 -21.060 21.905 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 8.744 -21.674 22.821 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 6.148 -16.687 26.730 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 5.948 -17.543 26.292 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 5.420 -16.101 26.444 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 3.964 -15.179 25.489 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 3.384 -15.729 24.929 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 3.337 -14.662 26.045 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 13.325 -14.235 21.946 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 14.052 -14.398 22.551 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 12.549 -14.115 22.527 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 7.681 -18.543 28.444 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 7.073 -17.914 28.009 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.500 -18.045 28.547 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 15.048 -29.896 28.344 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 15.387 -28.982 28.447 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 14.623 -30.088 29.209 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 14.227 -22.398 29.987 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 14.111 -21.415 29.948 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 15.128 -22.540 29.681 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 13.575 -23.690 23.411 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 14.402 -23.259 23.179 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 13.178 -23.931 22.540 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 7.999 -20.419 25.824 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 8.029 -20.098 26.739 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 8.875 -20.854 25.693 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 12.860 -25.313 18.473 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 13.494 -24.679 18.120 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 12.910 -26.075 17.847 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 10.818 -28.518 22.029 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 10.907 -27.852 21.313 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 11.036 -29.366 21.589 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 10.103 -24.401 22.570 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 10.766 -24.593 23.242 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 10.015 -23.424 22.589 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 5.825 -22.728 16.218 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 5.973 -21.962 16.815 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.251 -23.326 16.743 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.979 -21.579 33.466 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 10.929 -21.654 33.674 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.674 -20.816 34.001 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 15.531 -27.211 28.477 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 15.576 -27.239 27.505 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 14.877 -26.496 28.666 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 14.281 -17.102 29.218 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 15.030 -16.612 29.570 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 14.039 -16.627 28.419 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.172 -20.349 30.586 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 7.362 -19.797 29.795 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 7.193 -19.711 31.333 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 5.809 -20.702 18.166 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 6.327 -20.755 19.001 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 5.002 -20.235 18.422 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.713 -13.339 28.688 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.146 -13.772 29.378 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 9.558 -13.205 29.128 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 12.518 -13.468 13.917 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 13.311 -13.181 14.422 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 12.701 -13.180 13.000 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 14.704 -12.812 15.489 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 15.173 -12.073 15.891 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 15.027 -13.586 15.963 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 6.739 -20.483 20.820 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 6.759 -20.951 21.682 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 6.699 -19.552 21.058 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 10.298 -12.475 20.953 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 10.639 -12.833 21.795 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 9.397 -12.861 20.879 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 12.480 -24.246 20.998 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 12.637 -24.665 20.129 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 11.550 -24.449 21.195 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 12.261 -13.682 19.416 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 11.556 -13.184 19.871 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 12.849 -13.976 20.141 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 7.346 -25.058 16.072 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.155 -25.412 16.952 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 6.937 -24.168 16.078 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 5.836 -14.810 22.470 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 5.945 -14.245 23.257 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 4.929 -15.132 22.536 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 9.017 -19.420 34.924 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 8.284 -19.518 35.580 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 9.560 -18.709 35.283 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 6.195 -19.276 15.764 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 6.039 -20.020 15.152 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 6.118 -19.674 16.652 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 6.971 -19.453 36.712 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 6.107 -19.023 36.541 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 6.870 -19.842 37.587 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 12.892 -19.626 32.549 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 13.039 -19.060 33.310 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 12.822 -20.524 32.928 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 12.609 -23.843 31.539 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 13.215 -23.271 31.002 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 11.738 -23.707 31.139 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 9.122 -25.861 29.034 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 9.386 -25.673 29.961 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 9.961 -25.804 28.527 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 9.466 -25.144 31.634 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 9.772 -25.261 32.564 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 9.158 -24.212 31.598 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 13.621 -25.408 29.020 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 12.759 -25.503 28.564 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 13.434 -24.821 29.764 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 12.735 -22.120 33.734 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 13.414 -22.433 34.341 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 12.738 -22.782 33.008 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 6.680 -26.523 28.142 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 7.610 -26.211 28.241 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 6.573 -27.175 28.865 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 13.073 -26.298 32.797 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 13.801 -26.706 32.285 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 12.898 -25.456 32.334 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 11.445 -27.809 34.346 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 12.025 -27.290 33.738 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 12.053 -28.468 34.745 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 10.334 -9.798 20.334 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 10.462 -10.752 20.549 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 11.153 -9.544 19.888 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 4.528 -11.528 23.052 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 3.798 -12.144 22.822 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 5.043 -12.021 23.726 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 5.829 -13.223 24.747 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 5.082 -13.779 25.066 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 6.601 -13.538 25.277 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 6.595 -24.036 30.140 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 6.822 -24.277 29.232 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 7.358 -23.507 30.447 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 6.878 -11.225 28.981 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 6.152 -11.748 29.379 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 7.580 -11.885 28.812 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 11.384 -25.758 27.488 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 11.474 -25.054 26.811 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 11.653 -26.580 27.015 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 11.675 -31.639 23.616 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 11.804 -32.195 24.406 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 11.323 -30.797 23.972 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 11.090 -27.070 19.704 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 11.743 -26.460 19.319 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 10.605 -27.417 18.933 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 9.362 -29.293 33.269 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 10.033 -28.651 33.591 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 9.327 -29.973 33.973 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 10.107 -25.382 34.251 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 10.472 -26.272 34.440 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 10.745 -24.778 34.642 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 6.669 -28.467 33.286 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 7.581 -28.820 33.242 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 6.741 -27.572 32.898 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 6.477 0.127 -4.952 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 5.744 0.743 -4.711 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 6.997 0.622 -5.598 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 10.804 -6.656 11.308 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 11.142 -7.174 12.072 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 11.599 -6.318 10.881 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 6.416 -5.844 6.424 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 7.333 -5.694 6.183 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 6.430 -5.894 7.405 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 6.645 -5.989 9.160 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 6.629 -5.373 9.926 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 7.345 -6.642 9.395 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 11.138 -13.902 9.713 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 10.607 -13.581 8.979 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 10.973 -14.871 9.721 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 9.152 -4.652 12.410 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 9.764 -5.310 12.030 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 9.361 -4.651 13.361 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 8.488 -7.688 10.202 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 9.326 -7.294 10.531 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 8.621 -8.658 10.309 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 9.295 -5.253 15.213 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 9.137 -6.106 14.752 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 9.846 -5.496 15.974 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 9.090 -12.410 13.561 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 9.628 -13.060 14.054 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 8.202 -12.834 13.503 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 8.501 -9.095 16.203 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 8.022 -9.660 15.552 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 8.299 -9.506 17.071 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 11.447 -8.205 13.459 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 10.520 -7.969 13.696 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 11.377 -9.125 13.116 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 12.366 -8.779 15.986 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 12.479 -9.725 15.859 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 12.237 -8.429 15.080 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 5.280 -6.558 17.576 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 5.774 -5.909 18.123 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 5.491 -6.302 16.664 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 8.866 -7.601 13.974 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 8.658 -8.179 14.742 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 8.044 -7.614 13.435 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 10.365 -7.307 17.188 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 11.218 -7.696 16.896 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 9.691 -7.933 16.847 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 6.906 -10.472 24.715 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 6.126 -10.128 24.260 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 6.736 -11.427 24.790 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 6.639 -4.576 18.866 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 7.500 -5.022 19.063 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 6.741 -4.261 17.942 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 8.037 -9.356 21.851 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 8.921 -9.370 21.432 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 8.222 -9.304 22.797 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1048 8.875 -6.078 19.133 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1048 9.073 -6.642 19.884 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1048 9.465 -6.409 18.421 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1049 4.157 -5.023 24.620 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1049 4.792 -4.380 24.948 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1049 4.438 -5.871 25.037 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1050 6.612 -9.181 27.149 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1050 6.946 -9.538 26.298 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1050 6.859 -9.865 27.807 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1051 7.764 -13.561 20.975 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1051 7.214 -12.744 21.029 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1051 7.211 -14.247 21.414 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1052 6.300 -11.278 20.968 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1052 6.860 -10.511 21.224 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1052 5.569 -11.270 21.622 1.00 0.00 WAT1 END